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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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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
4jtrIBPAldo-keto reductase family 1 member C2

Complex with similar binding sites

PDB ID HET Uniprot Name EC Number Binding Site
Similarity
Align
4jtrIBPAldo-keto reductase family 1 member C2/1.000
1ihiIU5Aldo-keto reductase family 1 member C2/0.657
4jtrIZPAldo-keto reductase family 1 member C2/0.644
4jq2SUZAldo-keto reductase family 1 member C2/0.638
4jtqFLPAldo-keto reductase family 1 member C2/0.623
1mrqSTRAldo-keto reductase family 1 member C1/0.619
4jq3ZOMAldo-keto reductase family 1 member C2/0.611
4xo7ASDAldo-keto reductase family 1 member C2/0.606
4jqaID8Aldo-keto reductase family 1 member C2/0.584
4jq1NPSAldo-keto reductase family 1 member C2/0.583
4l1xSTRAldo-keto reductase family 1 member C2/0.578
2ipjFFAAldo-keto reductase family 1 member C2/0.565
2f3815MAldo-keto reductase family 1 member C3/0.555
4b12C23Glycylpeptide N-tetradecanoyltransferase/0.507
4p9dTMPDeoxycytidylate deaminase/0.502
1efyBZCPoly [ADP-ribose] polymerase 12.4.2.300.489
3tfuPL8Adenosylmethionine-8-amino-7-oxononanoate aminotransferase2.6.1.620.488
4u140HKMuscarinic acetylcholine receptor M3/0.488
4jq4IMNAldo-keto reductase family 1 member C2/0.487
2q7oIMHPurine nucleoside phosphorylase2.4.2.10.486
1fmlRTLRetinol dehydratase/0.485
3k3ePDBHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.485
1pqc444Oxysterols receptor LXR-beta/0.484
4dbs0HVAldo-keto reductase family 1 member C3/0.484
2ourCMPcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.482
3uzzTES3-oxo-5-beta-steroid 4-dehydrogenase/0.482
3aivHBO4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase, chloroplastic3.2.1.1820.481
3dysIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.481
3mjrAC2Deoxycytidine kinase2.7.1.740.481
1xl8152Peroxisomal carnitine O-octanoyltransferase2.3.1.1370.480
2jl1NAPTriphenylmethane reductase/0.480
4hmn16JAldo-keto reductase family 1 member C3/0.477
1q84TZ4Acetylcholinesterase3.1.1.70.476
4kbyC2EStimulator of interferon genes protein/0.476
1c7oPPGHemolysin/0.475
3gjwGJWPoly [ADP-ribose] polymerase 12.4.2.300.475
2qimZEAClass 10 plant pathogenesis-related protein/0.474
1ry8RUTAldo-keto reductase family 1 member C3/0.473
1so2666cGMP-inhibited 3',5'-cyclic phosphodiesterase B3.1.4.170.473
3cavCI23-oxo-5-beta-steroid 4-dehydrogenase/0.473
3qe2FMNNADPH--cytochrome P450 reductase/0.473
4dbw511Aldo-keto reductase family 1 member C3/0.472
1obnASVIsopenicillin N synthase1.21.3.10.471
2a59LMZ6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.471
2ha6SCKAcetylcholinesterase3.1.1.70.471
3g1rFIT3-oxo-5-beta-steroid 4-dehydrogenase/0.471
1lkeDOGBilin-binding protein/0.469
1pq944BOxysterols receptor LXR-beta/0.469
2a57CRM6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.469
3gn73GNPoly [ADP-ribose] polymerase 12.4.2.300.469
4a30QMIGlycylpeptide N-tetradecanoyltransferase/0.469
4iarERM5-hydroxytryptamine receptor 1B/0.469
4wda2AM2',3'-cyclic-nucleotide 3'-phosphodiesterase3.1.4.370.469
1p0pBCHCholinesterase3.1.1.80.468
3dy8IBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.468
4bbhYBNGlycylpeptide N-tetradecanoyltransferase/0.468
4jyzATPGlutamine--tRNA ligase6.1.1.180.468
4cdmFO1Deoxyribodipyrimidine photolyase/0.467
2fw3BUICarnitine O-palmitoyltransferase 2, mitochondrial2.3.1.210.466
3ce0P34Poly [ADP-ribose] polymerase 32.4.2.300.466
3eksCY9Actin-5C/0.466
3f3y4OABile salt sulfotransferase2.8.2.140.466
4g2j0WFHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.466
1ry0PG2Aldo-keto reductase family 1 member C3/0.465
3cotSTR3-oxo-5-beta-steroid 4-dehydrogenase/0.465
4arbC57Acetylcholinesterase3.1.1.70.465
4bfwZVWPantothenate kinase2.7.1.330.465
5stdUNNScytalone dehydratase4.2.1.940.465
2ifaFMNUncharacterized protein/0.464
3qi4IBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.464
2fm5M99cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.463
4bfuZVUPantothenate kinase2.7.1.330.463
4h7c10HAldo-keto reductase family 1 member C3/0.463
4uugPXGBranched-chain amino acid aminotransferase, putative/0.463
3jsiWTCHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.462
4h6pFMNChromate reductase/0.462
4n1gCEIObelin/0.462
4oew5IOcGMP-specific 3',5'-cyclic phosphodiesterase/0.462
1zq5E04Aldo-keto reductase family 1 member C3/0.461
2xuoTZ4Acetylcholinesterase3.1.1.70.461
2zu9GDPMannosyl-3-phosphoglycerate synthase2.4.1.2170.461
3zbsOVE2',3'-cyclic-nucleotide 3'-phosphodiesterase3.1.4.370.461
4bfvZVVPantothenate kinase2.7.1.330.461
1q83TZ5Acetylcholinesterase3.1.1.70.460
2r0pK2CPutative FAD-monooxygenase/0.460
4b13X25Glycylpeptide N-tetradecanoyltransferase/0.460
1ps9MDE2,4-dienoyl-CoA reductase1.3.1.340.459
2cekN8TAcetylcholinesterase3.1.1.70.459
2yneYNEGlycylpeptide N-tetradecanoyltransferase/0.459
2yoj8Y6Genome polyprotein2.7.7.480.459
3bl7DD1m7GpppX diphosphatase3.6.1.590.459
3c3xNAPEugenol synthase 11.1.1.3180.459
3dopNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.459
3nmpPYVAbscisic acid receptor PYL2/0.459
4dk70KSOxysterols receptor LXR-beta/0.459
1eveE20Acetylcholinesterase3.1.1.70.458
3tfjTHGDimethylsulfonioproprionate demethylase DmdA2.1.1.2690.458
3uzzASD3-oxo-5-beta-steroid 4-dehydrogenase/0.458
3zksWZVBeta-secretase 23.4.23.450.458
4jlm1NNDeoxycytidine kinase2.7.1.740.458
4klaCHDFerrochelatase, mitochondrial4.99.1.10.458
1xorZARcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.457
2bjfDXCCholoylglycine hydrolase3.5.1.240.457
3a0tADPSensor histidine kinase/0.457
3hf8ML0Tryptophan 5-hydroxylase 11.14.16.40.457
3uzxAOX3-oxo-5-beta-steroid 4-dehydrogenase/0.457
3zecANPAdenosine monophosphate-protein transferase SoFic2.7.7.n10.457
4ia05BBcGMP-specific 3',5'-cyclic phosphodiesterase/0.457
2xlpFADPutative flavin-containing monooxygenase/0.456
2xytTC9Soluble acetylcholine receptor/0.456
4bb3KKAIsopenicillin N synthase1.21.3.10.456
4u163C0Muscarinic acetylcholine receptor M3/0.456
1h22E10Acetylcholinesterase3.1.1.70.455
1thz326Bifunctional purine biosynthesis protein PURH2.1.2.30.455
2po7CHDFerrochelatase, mitochondrial4.99.1.10.455
2rlcCHDCholoylglycine hydrolase3.5.1.240.455
2vbpVB1Isopenicillin N synthase1.21.3.10.455
2xuhTZ4Acetylcholinesterase3.1.1.70.455
3dylIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.455
3zkuHCVIsopenicillin N synthase1.21.3.10.455
4fa30SLAldo-keto reductase family 1 member C3/0.455
4ha6PXMPyridoxine 4-oxidase/0.455
1qyxASDEstradiol 17-beta-dehydrogenase 11.1.1.620.454
3dyqIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.454
3r6iJMSAldo-keto reductase family 1 member C3/0.454
4kp61S1cAMP-specific 3',5'-cyclic phosphodiesterase 4B3.1.4.530.454
2g263LGRenin3.4.23.150.453
2w0bCMWLanosterol 14-alpha demethylase1.14.13.700.453
2ym1FADPhenylacetone monooxygenase1.14.13.920.453
3c49KU8Poly [ADP-ribose] polymerase 32.4.2.300.453
3dy85GPHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.453
3h3r14HCollagen type IV alpha-3-binding protein/0.453
4j7gTRHPCZA361.3/0.453
1hfqMOTDihydrofolate reductase1.5.1.30.452
1osvCHCBile acid receptor/0.452
1ro98BRcAMP-specific 3',5'-cyclic phosphodiesterase 4B3.1.4.530.452
1uhoVDNcGMP-specific 3',5'-cyclic phosphodiesterase/0.452
2ea4F79Methionine aminopeptidase 2/0.452
2xuqTZ4Acetylcholinesterase3.1.1.70.452
3jusBCDLanosterol 14-alpha demethylase1.14.13.700.452
4dbuBT9Aldo-keto reductase family 1 member C3/0.452
4m0f1YKAcetylcholinesterase3.1.1.70.452
1ut6A8NAcetylcholinesterase3.1.1.70.451
1w4lGL8Acetylcholinesterase3.1.1.70.451
1zgbA1EAcetylcholinesterase3.1.1.70.451
2h447CAcGMP-specific 3',5'-cyclic phosphodiesterase/0.451
2rqfJH3Hemolymph juvenile hormone binding protein/0.451
2v58LZJBiotin carboxylase6.3.4.140.451
3jsxCC2NAD(P)H dehydrogenase [quinone] 11.6.5.20.451
3r94FLRAldo-keto reductase family 1 member C3/0.451
3tvqDQHMultifunctional cyclase-dehydratase-3-O-methyl transferase TcmN2.1.10.451
4a959MTGlycylpeptide N-tetradecanoyltransferase/0.451
4g2l0WLHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.451
1g63FMNEpidermin decarboxylase4.1.10.450
1sojIBMcGMP-inhibited 3',5'-cyclic phosphodiesterase B3.1.4.170.450
1udtVIAcGMP-specific 3',5'-cyclic phosphodiesterase/0.450
2j3qTFLAcetylcholinesterase3.1.1.70.450
2xujTZ5Acetylcholinesterase3.1.1.70.450
2yozOVE2',3'-cyclic-nucleotide 3'-phosphodiesterase3.1.4.370.450
3jswJARHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.450
4bfxZVXPantothenate kinase2.7.1.330.450
1nbiSAMGlycine N-methyltransferase2.1.1.200.449
1ot7IU5Bile acid receptor/0.449
1pkfEPDEpothilone C/D epoxidase1.140.449
1zgcA2EAcetylcholinesterase3.1.1.70.449
2c9zQUEAnthocyanidin 3-O-glucosyltransferase 22.4.1.1150.449
2j3jHC4NADPH-dependent oxidoreductase 2-alkenal reductase1.3.1.740.449
3b9lAZZSerum albumin/0.449
3zbrNAP2',3'-cyclic-nucleotide 3'-phosphodiesterase3.1.4.370.449
4boeCLRJapanin/0.449
4lxjLANLanosterol 14-alpha demethylase1.14.13.700.449
1paxDHQPoly [ADP-ribose] polymerase 12.4.2.300.448
1uzwCDHIsopenicillin N synthase1.21.3.10.448
2c20NADUDP-glucose 4-epimerase/0.448
2uxoTACHTH-type transcriptional regulator TtgR/0.448
2vigFADShort-chain specific acyl-CoA dehydrogenase, mitochondrial1.3.8.10.448
2w6oOA3Biotin carboxylase6.3.4.140.448
3e30ED4Protein farnesyltransferase subunit beta2.5.1.580.448
3v0o4GWHisto-blood group ABO system transferase/0.448
4a83DXCMajor pollen allergen Bet v 1-A/0.448
4bfsZVSPantothenate kinase2.7.1.330.448
4fam0SZAldo-keto reductase family 1 member C3/0.448
1o1t2NHProtein farnesyltransferase subunit beta2.5.1.580.447
1u65CP0Acetylcholinesterase3.1.1.70.447
2h3wHC5Carnitine O-acetyltransferase2.3.1.70.447
2rcwAAIPoly [ADP-ribose] polymerase 12.4.2.300.447
3c4hDRLPoly [ADP-ribose] polymerase 32.4.2.300.447
3e34ED1Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha/0.447
3e34ED1Protein farnesyltransferase subunit beta2.5.1.580.447
4a312CBGlycylpeptide N-tetradecanoyltransferase/0.447
4bfzZVZPantothenate kinase2.7.1.330.447
4drhRAPSerine/threonine-protein kinase mTOR2.7.11.10.447
4drhRAPPeptidyl-prolyl cis-trans isomerase FKBP55.2.1.80.447
4j8tDOGUncharacterized PhzA/B-like protein PA3332/0.447
4ms1381Gamma-aminobutyric acid type B receptor subunit 1/0.447
1rkpIBMcGMP-specific 3',5'-cyclic phosphodiesterase/0.446
2gywOBIAcetylcholinesterase3.1.1.70.446
2xupTZ5Acetylcholinesterase3.1.1.70.446
2yq92AM2',3'-cyclic-nucleotide 3'-phosphodiesterase3.1.4.370.446
3u9fCLMChloramphenicol acetyltransferase2.3.1.280.446
3uyk0CXProbable NDP-rhamnosyltransferase/0.446
4usqFADPyridine nucleotide-disulfide oxidoreductase/0.446
4x7zZM3Mycinamicin III 3''-O-methyltransferase2.1.1.2370.446
2j83BATUlilysin3.4.240.445
2r97FMNNAD(P)H dehydrogenase (quinone)/0.445
2xufTZ4Acetylcholinesterase3.1.1.70.445
3b1dPLSBetaC-S lyase/0.445
3k3hBYEHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.445
3qgf46FGenome polyprotein2.7.7.480.445
3ziaADPATP synthase subunit beta, mitochondrial3.6.3.140.445
4cf6CBDNAD(P)H dehydrogenase [quinone] 11.6.5.20.445
1p91SAM23S rRNA (guanine(745)-N(1))-methyltransferase/0.444
1q9mROLcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.444
1x8lOXRRetinol dehydratase/0.444
2g28TDKPyruvate dehydrogenase E1 component1.2.4.10.444
2hunNAD336aa long hypothetical dTDP-glucose 4,6-dehydratase/0.444
3c14FOKAdenylate cyclase type 2/0.444
3c14FOKAdenylate cyclase type 5/0.444
3c1oNAPEugenol synthase/0.444
3qpoPFRcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.444
3r8hZOMAldo-keto reductase family 1 member C3/0.444
3uzwNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.444
4hcy0YNTransketolase/0.444
4tvj09LPoly [ADP-ribose] polymerase 22.4.2.300.444
1kyxCRM6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.443
1toiHCIAspartate aminotransferase2.6.1.10.443
2fs4PZ1Renin3.4.23.150.443
2hq9FADMll6688 protein/0.443
3dd125DGlycogen phosphorylase, liver form2.4.1.10.443
3hggCHDCmeR/0.443
3iu9T07Methionine aminopeptidase 2/0.443
3uweVJJAldo-keto reductase family 1 member C3/0.443
3zoiM2WIsopenicillin N synthase1.21.3.10.443
4b64NAPL-ornithine N(5)-monooxygenase/0.443
4bftZVTPantothenate kinase2.7.1.330.443
4cax646Glycylpeptide N-tetradecanoyltransferase2.3.1.970.443
4h1q0XXMatrix metalloproteinase-93.4.24.350.443
4mrm2BYGamma-aminobutyric acid type B receptor subunit 1/0.443
4wdfA2P2',3'-cyclic-nucleotide 3'-phosphodiesterase3.1.4.370.443
4zzi1NSNAD-dependent protein deacetylase sirtuin-13.5.10.443
5d7q4I5NAD-dependent protein deacetylase sirtuin-23.5.10.443
1galFADGlucose oxidase1.1.3.40.442
1vkgCRIHistone deacetylase 83.5.1.980.442
1xduSFGAclacinomycin 10-hydroxylase RdmB4.1.10.442
2jbsFMNp-hydroxyphenylacetate 3-hydroxylase, oxygenase component/0.442
2vq7NAPPutative flavin-containing monooxygenase/0.442
2xugTZ4Acetylcholinesterase3.1.1.70.442
2ym2NAPPhenylacetone monooxygenase1.14.13.920.442
3qeoLLTDeoxycytidine kinase2.7.1.740.442
4a81DXCMajor pollen allergen Bet v 1-A/0.442
4b117I1Glycylpeptide N-tetradecanoyltransferase/0.442
4r5wXAVPoly [ADP-ribose] polymerase 12.4.2.300.442
4zu44TGWxcM-like protein/0.442
1ndhFADNADH-cytochrome b5 reductase 31.6.2.20.441
1q23FUAChloramphenicol acetyltransferase2.3.1.280.441
1uhjCZBAequorin-2/0.441
2qw8NAPEugenol synthase 11.1.1.3180.441
2xuiTZ5Acetylcholinesterase3.1.1.70.441
2ydbNAP2',3'-cyclic-nucleotide 3'-phosphodiesterase3.1.4.370.441
3aezGDPPantothenate kinase2.7.1.330.441
3c0g3AMPeripheral plasma membrane protein CASK2.7.11.10.441
3dyqPCGHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.441
3g70A5TRenin3.4.23.150.441
4b144XBGlycylpeptide N-tetradecanoyltransferase/0.441
4b63NAPL-ornithine N(5)-monooxygenase/0.441
4pnmNU1Tankyrase-22.4.2.300.441
4uy6SAHHistidine N-alpha-methyltransferase/0.441
1fmjRTLRetinol dehydratase/0.440
1h60STRPentaerythritol tetranitrate reductase/0.440
1o6qR17Squalene--hopene cyclase4.2.1.1290.440
1p8dCO1Oxysterols receptor LXR-beta/0.440
1q6nP90Tyrosine-protein phosphatase non-receptor type 13.1.3.480.440
2b4dCOADiamine acetyltransferase 1/0.440
2b58COADiamine acetyltransferase 1/0.440
2ckmAA7Acetylcholinesterase3.1.1.70.440
2w6cBM4Acetylcholinesterase3.1.1.70.440
2xukTZ5Acetylcholinesterase3.1.1.70.440
3ansS38Bifunctional epoxide hydrolase 23.3.2.100.440
3ar4TG1Sarcoplasmic/endoplasmic reticulum calcium ATPase 13.6.3.80.440
3b82NADExotoxin A2.4.2.360.440
3g4lROFcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.440
3r7mSUZAldo-keto reductase family 1 member C3/0.440
4araC56Acetylcholinesterase3.1.1.70.440
4ge40KEKynurenine/alpha-aminoadipate aminotransferase, mitochondrial2.6.1.390.440
5c93ACPTwo-component system histidine protein kinase/0.440