Logo scPDB

sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

Logo CNRS Logo Unistra
Distribution of Binding site similarity measured by Shaper
You can zoom onto the graph by using the mouse to make a selection

Binding Sites are compared using Shaper.
For more information, please see the following publication: Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299
Binding Sites are considered as similar when the similarity value is greater than 0.44

Reference Protein Data Bank Entry :
PDB IDHETUniprot NameEC Number
4i111CHBeta-secretase 13.4.23.46

Complex with similar binding sites

PDB ID HET Uniprot Name EC Number Binding Site
Similarity
Align
4i111CHBeta-secretase 13.4.23.461.000
4i121BCBeta-secretase 13.4.23.460.566
3exo5MSBeta-secretase 13.4.23.460.565
4hzt0ZABeta-secretase 13.4.23.460.555
4i0z1BBBeta-secretase 13.4.23.460.554
2ohr8IPBeta-secretase 13.4.23.460.534
3tpr5HABeta-secretase 13.4.23.460.534
2ohq7IPBeta-secretase 13.4.23.460.530
4i1c1BEBeta-secretase 13.4.23.460.524
2ohp6IPBeta-secretase 13.4.23.460.516
1t2cNAIL-lactate dehydrogenase1.1.1.270.503
4lxm1YUBeta-secretase 13.4.23.460.503
4bb3KKAIsopenicillin N synthase1.21.3.10.499
1osvCHCBile acid receptor/0.495
4j1c1HOBeta-secretase 13.4.23.460.494
4j1f1HLBeta-secretase 13.4.23.460.490
3nmpPYVAbscisic acid receptor PYL2/0.489
4j0y1H6Beta-secretase 13.4.23.460.488
3dy85GPHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.484
4ge70K5Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial2.6.1.390.484
3lqfNADGalactitol dehydrogenase/0.483
1njaDCMThymidylate synthase/0.481
3uayADNPurine nucleoside phosphorylase DeoD-type/0.479
4e907RGHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.478
4jpe1M7Beta-secretase 13.4.23.460.478
2w6qOA5Biotin carboxylase6.3.4.140.477
3qgf46FGenome polyprotein2.7.7.480.477
1xl8152Peroxisomal carnitine O-octanoyltransferase2.3.1.1370.476
3u9fCLMChloramphenicol acetyltransferase2.3.1.280.475
4eb7PLPCysteine desulfurase IscS 2/0.475
2ohuIP7Beta-secretase 13.4.23.460.474
2fb35ADGTP 3',8-cyclase4.1.99.180.473
3h7rNAPAldo-keto reductase family 4 member C8/0.473
3pn1IVHDNA ligase/0.473
4j1k1HGBeta-secretase 13.4.23.460.473
3jsiWTCHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.472
3zdnFADMonoamine oxidase N1.4.3.40.472
4j0v1H7Beta-secretase 13.4.23.460.472
1jtvTESEstradiol 17-beta-dehydrogenase 11.1.1.620.471
1qk35GPHypoxanthine-guanine-xanthine phosphoribosyltransferase2.4.2.220.471
4glx0XSDNA ligase6.5.1.20.471
4h3f10OBeta-secretase 13.4.23.460.471
4uugPXGBranched-chain amino acid aminotransferase, putative/0.471
1qjfACSIsopenicillin N synthase1.21.3.10.470
1tsxUMPThymidylate synthase/0.470
1uzwCDHIsopenicillin N synthase1.21.3.10.470
3zecANPAdenosine monophosphate-protein transferase SoFic2.7.7.n10.470
4jpc1M6Beta-secretase 13.4.23.460.470
4qoeFADRibosyldihydronicotinamide dehydrogenase [quinone]/0.470
5hbrCOAAcyl-CoA synthetase (NDP forming)/0.470
2ociTYCValacyclovir hydrolase3.10.468
2pg0FADAcyl-CoA dehydrogenase/0.468
2y60M8FIsopenicillin N synthase1.21.3.10.468
3bgxTMPThymidylate synthase/0.468
4esoNAPPutative oxidoreductase/0.468
1xurPB5Collagenase 33.4.240.467
2jb4A14Isopenicillin N synthase1.21.3.10.467
2x7jTPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase/0.467
3u8l09QAcetylcholine-binding protein/0.467
5dozNDPJamJ/0.467
2a94AP0L-lactate dehydrogenase1.1.1.270.466
2bu9HFVIsopenicillin N synthase1.21.3.10.466
4araC56Acetylcholinesterase3.1.1.70.466
4dro0MDPeptidyl-prolyl cis-trans isomerase FKBP55.2.1.80.466
4uymVOR14-alpha sterol demethylase Cyp51B/0.466
1g1aNADdTDP-glucose 4,6-dehydratase/0.465
3biz61EWee1-like protein kinase2.7.10.20.465
4j171HQBeta-secretase 13.4.23.460.465
1cdoNADAlcohol dehydrogenase 11.1.1.10.464
1lcbTMPThymidylate synthase/0.464
1xf0ASDAldo-keto reductase family 1 member C3/0.464
1ndhFADNADH-cytochrome b5 reductase 31.6.2.20.463
1qx4FADNADH-cytochrome b5 reductase 31.6.2.20.463
1x27ASP_TYR_VAL_HIS_PTRTyrosine-protein kinase Lck2.7.10.20.463
2iodMYCDihydroflavonol 4-reductase1.1.1.2190.463
3zoiM2WIsopenicillin N synthase1.21.3.10.463
4rvfTYDD-mycarose 3-C-methyltransferase/0.463
2ivnANPtRNA N6-adenosine threonylcarbamoyltransferase/0.462
2wzySQXSoluble acetylcholine receptor/0.462
3q43D66M1 family aminopeptidase3.4.110.462
1sojIBMcGMP-inhibited 3',5'-cyclic phosphodiesterase B3.1.4.170.461
2ddoATPPyridoxine/pyridoxal/pyridoxamine kinase/0.461
2pswCOAN-alpha-acetyltransferase 50/0.461
2vbpVB1Isopenicillin N synthase1.21.3.10.461
3ekuCY9Actin-5C/0.461
3uaxNOSPurine nucleoside phosphorylase DeoD-type/0.461
3zkuHCVIsopenicillin N synthase1.21.3.10.461
5dp2NAPCurF/0.461
1dduDDUThymidylate synthase/0.460
3dys5GPHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.460
3i25MV7Beta-secretase 13.4.23.460.460
4a7b3W4Collagenase 33.4.240.460
4a8v2ANMajor pollen allergen Bet v 1-J/0.460
4j8tDOGUncharacterized PhzA/B-like protein PA3332/0.460
4q4kFMNUncharacterized protein/0.460
1dr3TAPDihydrofolate reductase1.5.1.30.459
1fdsESTEstradiol 17-beta-dehydrogenase 11.1.1.620.459
2fw3BUICarnitine O-palmitoyltransferase 2, mitochondrial2.3.1.210.459
3h2sNDPPutative NADH-flavin reductase/0.459
4trnNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.459
4ubvCOASteroid 3-ketoacyl-CoA thiolase/0.459
1qiqACCIsopenicillin N synthase1.21.3.10.458
2il2LIXRenin3.4.23.150.458
2ym1FADPhenylacetone monooxygenase1.14.13.920.458
4a862ANMajor pollen allergen Bet v 1-A/0.458
1culFOKAdenylate cyclase type 2/0.457
1culFOKAdenylate cyclase type 5/0.457
1ewyFADFerredoxin--NADP reductase1.18.1.20.457
2e07SAHDiphthine synthase/0.457
3phiNDPShikimate dehydrogenase (NADP(+))/0.457
4a87NARMajor pollen allergen Bet v 1-A/0.457
4dc0NDPPutative ketoacyl reductase1.3.10.457
4v12POGMaoC like domain protein/0.457
1ot7CHCBile acid receptor/0.456
2xncFADFerredoxin--NADP reductase, leaf isozyme, chloroplastic1.18.1.20.456
2z4y252Geranylgeranyl pyrophosphate synthase/0.456
3f63GTXGlutathione transferase GST1-4/0.456
4bbhYBNGlycylpeptide N-tetradecanoyltransferase/0.456
4drjRAPSerine/threonine-protein kinase mTOR2.7.11.10.456
4drjRAPPeptidyl-prolyl cis-trans isomerase FKBP45.2.1.80.456
4f0e0RUPoly [ADP-ribose] polymerase 152.4.2.300.456
4g95OAGDihydrofolate reductase1.5.1.30.456
4ge40KEKynurenine/alpha-aminoadipate aminotransferase, mitochondrial2.6.1.390.456
4lxjLANLanosterol 14-alpha demethylase1.14.13.700.456
1blzACVIsopenicillin N synthase1.21.3.10.455
1q0rAKTAclacinomycin methylesterase RdmC3.1.1.950.455
1qh0FADFerredoxin--NADP reductase1.18.1.20.455
2iko7IGRenin3.4.23.150.455
2xi4AFTAcetylcholinesterase3.1.1.70.455
4cf6CBDNAD(P)H dehydrogenase [quinone] 11.6.5.20.455
4hcy0YNTransketolase/0.455
1e7qNAPGDP-L-fucose synthase/0.454
1obnASVIsopenicillin N synthase1.21.3.10.454
2a59LMZ6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.454
3gdsVAL_TYR_TYR_PHESerine endoprotease DegS3.4.21.1070.454
3tfyCOAN-alpha-acetyltransferase 502.3.10.454
4bcaFADAlkyldihydroxyacetonephosphate synthase, peroxisomal2.5.1.260.454
4bfq083Soluble acetylcholine receptor/0.454
4i4z2NE1,4-dihydroxy-2-naphthoyl-CoA synthase/0.454
4uwmFMN3,6-diketocamphane 1,6 monooxygenase1.14.130.454
4xsvCTPEthanolamine-phosphate cytidylyltransferase2.7.7.140.454
1yciNDFHypoxia-inducible factor 1-alpha inhibitor1.14.11.300.453
3eq02TSProthrombin3.4.21.50.453
3h3sH15Collagen type IV alpha-3-binding protein/0.453
4a81DXCMajor pollen allergen Bet v 1-A/0.453
4kbyC2EStimulator of interferon genes protein/0.453
5irnADPNucleotide binding oligomerization domain containing 2/0.453
1w4lGL8Acetylcholinesterase3.1.1.70.452
1wxjIPLTryptophan synthase alpha chain/0.452
2bsxNOSPurine nucleoside phosphorylase/0.452
2ifaFMNUncharacterized protein/0.452
2lfoGCHFatty acid-binding protein, liver/0.452
2xysSY9Soluble acetylcholine receptor/0.452
3hy9098A disintegrin and metalloproteinase with thrombospondin motifs 53.4.240.452
4at0FADPossible succinate dehydrogenase/0.452
5jsfNAD17-beta-hydroxysteroid dehydrogenase 141.1.10.452
1g63FMNEpidermin decarboxylase4.1.10.451
1x1aSAMC-20 methyltransferase/0.451
2b5oFADFerredoxin--NADP reductase1.18.1.20.451
2iebZIDEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.451
2vbdV10Isopenicillin N synthase1.21.3.10.451
2xuiTZ5Acetylcholinesterase3.1.1.70.451
3af1GDPPantothenate kinase2.7.1.330.451
3wavDWVEctonucleotide pyrophosphatase/phosphodiesterase family member 23.1.4.390.451
3zkyWT4Isopenicillin N synthase1.21.3.10.451
4kq2U5PGlycogen [starch] synthase isoform 22.4.1.110.451
4ure1PSCyclohexanol dehydrogenase/0.451
1pqc444Oxysterols receptor LXR-beta/0.450
2p2bPRXAcetyl-coenzyme A synthetase/0.450
2vjmCOAFormyl-CoA:oxalate CoA-transferase/0.450
2zshGA3Gibberellin receptor GID1A30.450
3hl0NADMaleylacetate reductase/0.450
3r96ACOMccE protein/0.450
4ise1FWGlucokinase2.7.1.20.450
1hb3SCVIsopenicillin N synthase1.21.3.10.449
1lceTMFThymidylate synthase/0.449
1qvuPRLHTH-type transcriptional regulator QacR/0.449
1sezOMNProtoporphyrinogen oxidase, mitochondrial1.3.3.40.449
2v58LZJBiotin carboxylase6.3.4.140.449
2va6H24Beta-secretase 13.4.23.460.449
3bgxMEFThymidylate synthase/0.449
3dynPCGHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.449
3up0D7SaceDAF-12/0.449
4b65NDPL-ornithine N(5)-monooxygenase/0.449
4cukNAID-lactate dehydrogenase/0.449
4cvmANPUDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase/0.449
4hxyNDPPlm1/0.449
1bp6UMPThymidylate synthase/0.448
1n83CLRNuclear receptor ROR-alpha/0.448
1p0hCOAMycothiol acetyltransferase2.3.1.1890.448
1yplRA8Prothrombin3.4.21.50.448
2yg4FADPutrescine oxidase/0.448
3hiiPNTAmiloride-sensitive amine oxidase [copper-containing]/0.448
3w8fNAD3-hydroxybutyrate dehydrogenase/0.448
3zc3FADFerredoxin--NADP reductase1.18.1.20.448
4emdC5P4-diphosphocytidyl-2-C-methyl-D-erythritol kinase/0.448
4wasCOOEnoyl-[acyl-carrier-protein] reductase 1, mitochondrial1.3.1.100.448
4xnhACON-terminal acetyltransferase A complex subunit NAT52.3.10.448
1lcbDHFThymidylate synthase/0.447
2g8aUMPThymidylate synthase/0.447
2j3jHC4NADPH-dependent oxidoreductase 2-alkenal reductase1.3.1.740.447
2pj4414Carboxypeptidase B/0.447
2wu4HBPAcetylcholinesterase3.1.1.70.447
3sfh1DIHistone deacetylase 83.5.1.980.447
3zvmADPBifunctional polynucleotide phosphatase/kinase2.7.1.780.447
4q71FADBifunctional protein PutA/0.447
1bp0UMPThymidylate synthase/0.446
1hfqMOTDihydrofolate reductase1.5.1.30.446
1sqi8694-hydroxyphenylpyruvate dioxygenase/0.446
1t57FMNConserved protein/0.446
1tj2FADBifunctional protein PutA1.5.5.20.446
2cjfRP43-dehydroquinate dehydratase4.2.1.100.446
2h447CAcGMP-specific 3',5'-cyclic phosphodiesterase/0.446
2j07HDFDeoxyribodipyrimidine photo-lyase4.1.99.30.446
2rlcCHDCholoylglycine hydrolase3.5.1.240.446
2xukTZ5Acetylcholinesterase3.1.1.70.446
2xveFADPutative flavin-containing monooxygenase/0.446
2xvhFADPutative flavin-containing monooxygenase/0.446
3anmSYD1-deoxy-D-xylulose 5-phosphate reductoisomerase1.1.1.2670.446
3gcnTYR_GLN_PHESerine endoprotease DegS3.4.21.1070.446
4egbNADdTDP-glucose 4,6-dehydratase/0.446
4gdy0X1Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial2.6.1.390.446
4i0f1BFBeta-secretase 13.4.23.460.446
5dsyUHBPoly [ADP-ribose] polymerase 22.4.2.300.446
1k4mNADNicotinate-nucleotide adenylyltransferase2.7.7.180.445
1tsvUMPThymidylate synthase/0.445
1yw7A41Methionine aminopeptidase 2/0.445
2fm5M99cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.445
2jj2ANPATP synthase subunit beta, mitochondrial3.6.3.140.445
2ovhAS0Progesterone receptor/0.445
2pcmSAHDiphthine synthase/0.445
2xlrFADPutative flavin-containing monooxygenase/0.445
2zscBTNTamavidin2/0.445
3hatGLY_VAL_ARG_RNGProthrombin3.4.21.50.445
3wqmB29Diterpene synthase3.1.7.80.445
4a86H35Major pollen allergen Bet v 1-A/0.445
4b70WM9Beta-secretase 13.4.23.460.445
4c7kNAPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.445
4kq6DLZ6,7-dimethyl-8-ribityllumazine synthase/0.445
4xbfFADLysine-specific histone demethylase 1A10.445
1nqvLMZ6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.444
1y60H4M5,6,7,8-tetrahydromethanopterin hydro-lyase4.2.1.1470.444
2g1a5HGClass B acid phosphatase3.1.3.20.444
2g89UMPThymidylate synthase/0.444
2uxhQUEHTH-type transcriptional regulator TtgR/0.444
2vn1FK5Peptidylprolyl isomerase/0.444
2yneYNEGlycylpeptide N-tetradecanoyltransferase/0.444
3gyuDL7Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily/0.444
3n3zIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.444
3zhoFMNNAD(P)H dehydrogenase (quinone)/0.444
3zmg6Z0Beta-secretase 13.4.23.460.444
4an4DUDPutative glycosyl transferase/0.444
4isg1FYGlucokinase2.7.1.20.444
4kx6FADFumarate reductase flavoprotein subunit1.3.5.40.444
4lc71WPBeta-secretase 13.4.23.460.444
4rn615UProthrombin3.4.21.50.444
4twnB96Ephrin type-A receptor 32.7.10.10.444
4zvnFADRibosyldihydronicotinamide dehydrogenase [quinone]/0.444
1oc1ASVIsopenicillin N synthase1.21.3.10.443
1typFADTrypanothione reductase1.8.1.120.443
2a1hGBNBranched-chain-amino-acid aminotransferase, mitochondrial2.6.1.420.443
2b8jADNClass B acid phosphatase3.1.3.20.443
2c9zQUEAnthocyanidin 3-O-glucosyltransferase 22.4.1.1150.443
2iviACWIsopenicillin N synthase1.21.3.10.443
2j3qTFLAcetylcholinesterase3.1.1.70.443
2pk3A2RGDP-6-deoxy-D-mannose reductase/0.443
2pr2DG1Enoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.443
2xlpFADPutative flavin-containing monooxygenase/0.443
3abiNADUncharacterized protein/0.443
3lkhLT6Genome polyprotein2.7.7.480.443
3mo0SAHHistone-lysine N-methyltransferase EHMT1/0.443
3mpiFADGlutaryl-CoA dehydrogenase1.3.99.320.443
3q9bB3NAcetylpolyamine amidohydrolase/0.443
3rpeFADPutative modulator of drug activity/0.443
4hhy15RPoly [ADP-ribose] polymerase 12.4.2.300.443
4i101BSBeta-secretase 13.4.23.460.443
4j0p1H8Beta-secretase 13.4.23.460.443
4k4fK4FTankyrase-12.4.2.300.443
4usqFADPyridine nucleotide-disulfide oxidoreductase/0.443
4wfr2AM2',3'-cyclic-nucleotide 3'-phosphodiesterase3.1.4.370.443
1h85FADFerredoxin--NADP reductase1.18.1.20.442
1lvu9PPPurine nucleoside phosphorylase2.4.2.10.442
1piwNAPNADP-dependent alcohol dehydrogenase 61.1.1.20.442
1vzdCB3Thymidylate synthase/0.442
1z7yAA5Cysteine synthase 12.5.1.470.442
2uxuNARHTH-type transcriptional regulator TtgR/0.442
2vkvTDCTetracycline repressor protein class D/0.442
2vq7FADPutative flavin-containing monooxygenase/0.442
2x06NADL-sulfolactate dehydrogenase/0.442
2z1qFADAcyl-CoA dehydrogenase/0.442
2zatNAPDehydrogenase/reductase SDR family member 41.1.1.1840.442
3af0GDPPantothenate kinase2.7.1.330.442
3dgaNDPBifunctional dihydrofolate reductase-thymidylate synthase1.5.1.30.442
3dylPCGHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.442
3eksCY9Actin-5C/0.442
4b6s2HN3-dehydroquinate dehydratase4.2.1.100.442
4oztP1AEcdysone receptor, putative/0.442
4qemHC4Phospholipase A2 VRV-PL-VIIIa/0.442
4usrFADMonooxygenase/0.442
5epeSAHUncharacterized protein/0.442
5kwvANPPantothenate synthetase/0.442
1gzuNMNNicotinamide/nicotinic acid mononucleotide adenylyltransferase 12.7.7.10.441
1lc3NADBiliverdin reductase A1.3.1.240.441
1opmIYGPeptidyl-glycine alpha-amidating monooxygenase1.14.17.30.441
1qgyFADFerredoxin--NADP reductase1.18.1.20.441
1thyUMPThymidylate synthase/0.441
1v0jFADUDP-galactopyranose mutase5.4.99.90.441
1yw9A84Methionine aminopeptidase 2/0.441
2bjfDXCCholoylglycine hydrolase3.5.1.240.441
2pncCLUPrimary amine oxidase, liver isozyme/0.441
2rcyNAPPyrroline-5-carboxylate reductase/0.441
2rehFADNitroalkane oxidase1.7.3.10.441
2zu9GDPMannosyl-3-phosphoglycerate synthase2.4.1.2170.441
3f1kNAPUncharacterized oxidoreductase YciK10.441
3gwfNAPCyclohexanone monooxygenase/0.441
3n87N873-dehydroquinate dehydratase4.2.1.100.441
4ejmNAPPutative zinc-binding dehydrogenase/0.441
4o7uTHFThymidylate synthase/0.441
4wdfA2P2',3'-cyclic-nucleotide 3'-phosphodiesterase3.1.4.370.441
1gj4132Prothrombin3.4.21.50.440
1ju2FAD(R)-mandelonitrile lyase 24.1.2.100.440
1umcTDP2-oxoisovalerate dehydrogenase subunit alpha1.2.4.40.440
1umcTDP2-oxoisovalerate dehydrogenase subunit beta1.2.4.40.440
1w6rGNTAcetylcholinesterase3.1.1.70.440
2e08SAHDiphthine synthase/0.440
2ha6SCKAcetylcholinesterase3.1.1.70.440
2jdcCAOProbable acetyltransferase/0.440
2v13C40Renin3.4.23.150.440
2v5aLZLBiotin carboxylase6.3.4.140.440
2xuqTZ4Acetylcholinesterase3.1.1.70.440
3mauEXTPutative sphingosine-1-phosphate lyase/0.440
3ua506XCytochrome P450 2B61.14.130.440
3zksWZVBeta-secretase 23.4.23.450.440
4a83DXCMajor pollen allergen Bet v 1-A/0.440
4b2gV1NUncharacterized protein/0.440
4dch4DCGlucokinase2.7.1.20.440
4ia05BBcGMP-specific 3',5'-cyclic phosphodiesterase/0.440
4y0kNAPAntE/0.440
5p2pDHGPhospholipase A2, major isoenzyme3.1.1.40.440
3sn6P0GBeta-2 adrenergic receptor/0.440