Logo scPDB

sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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

Cavities 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

Reference Protein Data Bank Entry :
PDB ID HET Uniprot Name EC Number
3rq6APRADP-dependent (S)-NAD(P)H-hydrate dehydratase

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity
Align
3rq6APRADP-dependent (S)-NAD(P)H-hydrate dehydratase/1.000
3rqhB6PADP-dependent (S)-NAD(P)H-hydrate dehydratase/0.646
3rqqBA3ADP-dependent (S)-NAD(P)H-hydrate dehydratase/0.616
3rq8AP5ADP-dependent (S)-NAD(P)H-hydrate dehydratase/0.603
1a9yUPGUDP-glucose 4-epimerase5.1.3.20.496
1rneC60Renin3.4.23.150.494
1o76CAMCamphor 5-monooxygenase1.14.15.10.492
4l4eCAMCamphor 5-monooxygenase1.14.15.10.491
2qbmCAMCamphor 5-monooxygenase1.14.15.10.486
3wrjCAMCamphor 5-monooxygenase1.14.15.10.486
3fwfCAMCamphor 5-monooxygenase1.14.15.10.483
3fwjCAMCamphor 5-monooxygenase1.14.15.10.483
1t85CAMCamphor 5-monooxygenase1.14.15.10.481
1t88CAMCamphor 5-monooxygenase1.14.15.10.481
3drcMTXDihydrofolate reductase1.5.1.30.481
4ejgNCTCytochrome P450 2A131.14.14.10.480
3wrhCAMCamphor 5-monooxygenase1.14.15.10.478
3wrlCAMCamphor 5-monooxygenase1.14.15.10.478
4cp4CAMCamphor 5-monooxygenase1.14.15.10.478
2ikuLIYRenin3.4.23.150.477
3fwgCAMCamphor 5-monooxygenase1.14.15.10.476
1xddAAYIntegrin alpha-L/0.474
4fmxCNL1,8-cineole 2-endo-monooxygenase1.14.13.1560.474
4l4fCAMCamphor 5-monooxygenase1.14.15.10.474
3fwiCAMCamphor 5-monooxygenase1.14.15.10.473
3oibFDAPutative acyl-CoA dehydrogenase/0.473
4c7kNAPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.473
1bil0IURenin3.4.23.150.472
1dxqFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.472
2cibCM6Lanosterol 14-alpha demethylase1.14.13.700.472
2qboCAMCamphor 5-monooxygenase1.14.15.10.472
1t2bCNL1,8-cineole 2-endo-monooxygenase1.14.13.1560.471
3oqkS52Renin3.4.23.150.471
3p3zP3ZPutative cytochrome P450/0.471
4ienCOAPutative acyl-CoA hydrolase/0.471
5cp4CAMCamphor 5-monooxygenase1.14.15.10.471
5dp2NAPCurF/0.471
2rbeNDPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.470
3wrmCAMCamphor 5-monooxygenase1.14.15.10.470
4fg8ATPCalcium/calmodulin-dependent protein kinase type 12.7.11.170.470
1orrNADCDP-paratose 2-epimerase/0.469
1uyuCAMCamphor 5-monooxygenase1.14.15.10.469
2z3uCRRCytochrome P450/0.469
4ipw1G7Mycocyclosin synthase1.14.21.90.469
4l6gCNL1,8-cineole 2-endo-monooxygenase1.14.13.1560.469
5bsgNAPPyrroline-5-carboxylate reductase/0.469
1dz4CAMCamphor 5-monooxygenase1.14.15.10.468
1ju9NADAlcohol dehydrogenase E chain1.1.1.10.468
2a1nCAMCamphor 5-monooxygenase1.14.15.10.468
4lhtCNL1,8-cineole 2-endo-monooxygenase1.14.13.1560.468
2i4qUA4Renin3.4.23.150.467
3gbuATPUncharacterized sugar kinase PH14592.7.10.467
3l63CAMCamphor 5-monooxygenase1.14.15.10.467
1kvsUPGUDP-glucose 4-epimerase5.1.3.20.466
3phiNDPShikimate dehydrogenase (NADP(+))/0.466
3s1dZIRCytokinin dehydrogenase 11.5.99.120.466
4ek1CAMCamphor 5-monooxygenase1.14.15.10.466
4emtC2EStimulator of interferon genes protein/0.466
1dz6CAMCamphor 5-monooxygenase1.14.15.10.465
2givACOHistone acetyltransferase KAT8/0.465
4ewn0VRImidazole glycerol phosphate synthase subunit HisF4.1.30.465
1dxoFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.464
1xe55FEPlasmepsin-23.4.23.390.464
1zdwFLVPrenyltransferase/0.464
2ch6ADPN-acetyl-D-glucosamine kinase2.7.1.590.464
4eji0QACytochrome P450 2A131.14.14.10.464
2a1mCAMCamphor 5-monooxygenase1.14.15.10.463
3umpATPATP-dependent 6-phosphofructokinase isozyme 22.7.1.110.463
4gyzD5MTyrosyl-DNA phosphodiesterase 23.1.40.463
1t87CAMCamphor 5-monooxygenase1.14.15.10.462
1y4lSVRBasic phospholipase A2 homolog 2/0.462
2dcnADP2-keto-3-deoxy-gluconate kinase/0.462
2ed3SAHDiphthine synthase/0.462
2qblCAMCamphor 5-monooxygenase1.14.15.10.462
2v16C47Renin3.4.23.150.462
2zawCAMCamphor 5-monooxygenase1.14.15.10.462
4iqlFMNEnoyl-(Acyl-carrier-protein) reductase II/0.462
5a3bAPRSIR2 family protein/0.462
1mjbACOHistone acetyltransferase ESA1/0.461
1g63FMNEpidermin decarboxylase4.1.10.460
1iolESTEstradiol 17-beta-dehydrogenase 11.1.1.620.460
1jioDEB6-deoxyerythronolide B hydroxylase/0.460
1pjcNADAlanine dehydrogenase/0.460
2ggsNDPdTDP-4-dehydrorhamnose reductase/0.460
2ztvNADD(-)-3-hydroxybutyrate dehydrogenase/0.460
4l4cCAMCamphor 5-monooxygenase1.14.15.10.460
1yrcCAMCamphor 5-monooxygenase1.14.15.10.459
2aa0MTPAdenosine kinase2.7.1.200.459
2iqgF2IBeta-secretase 13.4.23.460.459
3vyeVYERenin3.4.23.150.459
4bfxZVXPantothenate kinase2.7.1.330.459
4l4aCAMCamphor 5-monooxygenase1.14.15.10.459
4xsvC5PEthanolamine-phosphate cytidylyltransferase2.7.7.140.459
1jqiFADShort-chain specific acyl-CoA dehydrogenase, mitochondrial/0.458
1yrdCAMCamphor 5-monooxygenase1.14.15.10.458
2a1oCAMCamphor 5-monooxygenase1.14.15.10.458
2c29NAPDihydroflavonol 4-reductase/0.458
2z97CAMCamphor 5-monooxygenase1.14.15.10.458
3cppCAMCamphor 5-monooxygenase1.14.15.10.458
4g7gVFVLanosterol 14-alpha-demethylase/0.458
1iwjCAMCamphor 5-monooxygenase1.14.15.10.457
1me6IVSPlasmepsin-23.4.23.390.457
1rd7FOLDihydrofolate reductase1.5.1.30.457
2ejzSAHDiphthine synthase/0.457
2feuCAMCamphor 5-monooxygenase1.14.15.10.457
3own3OWRenin3.4.23.150.457
3vydVYDRenin3.4.23.150.457
4bfzZVZPantothenate kinase2.7.1.330.457
4q71FADBifunctional protein PutA/0.457
1cjkFOKAdenylate cyclase type 2/0.456
1cjkFOKAdenylate cyclase type 5/0.456
1dz8CAMCamphor 5-monooxygenase1.14.15.10.456
1f8fNADBenzyl alcohol dehydrogenase/0.456
1fwkADPHomoserine kinase2.7.1.390.456
1ipeNDPTropinone reductase 21.1.1.2360.456
1phgMYTCamphor 5-monooxygenase1.14.15.10.456
1y9dTPPPyruvate oxidase1.2.3.30.456
2cf6NAPCinnamyl alcohol dehydrogenase 51.1.1.1950.456
2f7x4EAcAMP-dependent protein kinase catalytic subunit alpha2.7.11.110.456
2zaxCAMCamphor 5-monooxygenase1.14.15.10.456
2znpK55Peroxisome proliferator-activated receptor delta/0.456
4dpuAGSMevalonate diphosphate decarboxylase/0.456
4hbgNDP3-oxoacyl-[acyl-carrier-protein] reductase1.1.1.1000.456
4kkyCAMCamphor 5-monooxygenase1.14.15.10.456
4l4dCAMCamphor 5-monooxygenase1.14.15.10.456
1g4tFTPThiamine-phosphate synthase/0.455
2ahrNAPPyrroline-5-carboxylate reductase/0.455
2bgiFADNADPH:ferredoxin reductase/0.455
2rh9IGPTryptophan synthase alpha chain/0.455
3lsiFADPyranose 2-oxidase/0.455
4c02TAKActivin receptor type-12.7.11.300.455
4g3rCAMCamphor 5-monooxygenase1.14.15.10.455
2f4bEHAPeroxisome proliferator-activated receptor gamma/0.454
2q4bNAPUncharacterized protein At5g02240/0.454
2viyVG3Beta-secretase 13.4.23.460.454
3rfxNADUronate dehydrogenase/0.454
4e2bFMNDehydrogenase/0.454
4enhFVXCholesterol 24-hydroxylase/0.454
4jx1CAHCamphor 5-monooxygenase1.14.15.10.454
4nky3QZSteroid 17-alpha-hydroxylase/17,20 lyase/0.454
2d1yNADOxidoreductase, short-chain dehydrogenase/reductase family/0.453
2iko7IGRenin3.4.23.150.453
3gfbNADL-threonine 3-dehydrogenase/0.453
4ejh0QACytochrome P450 2A131.14.14.10.453
4jlm1NNDeoxycytidine kinase2.7.1.740.453
5ar4SB2Receptor-interacting serine/threonine-protein kinase 22.7.11.10.453
1likADNAdenosine kinase2.7.1.200.452
1mj9COAHistone acetyltransferase ESA1/0.452
2btsU32Cyclin-dependent kinase 22.7.11.220.452
2ci01CMLanosterol 14-alpha demethylase1.14.13.700.452
2jbsFMNp-hydroxyphenylacetate 3-hydroxylase, oxygenase component/0.452
2xpuTDCTetracycline repressor protein class D/0.452
3cid318Beta-secretase 13.4.23.460.452
3k3hBYEHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.452
4l4bCAMCamphor 5-monooxygenase1.14.15.10.452
1a72PADAlcohol dehydrogenase E chain1.1.1.10.451
1a9zUPGUDP-glucose 4-epimerase5.1.3.20.451
2y3sTIRTamL/0.451
3ohh3HHBeta-secretase 13.4.23.460.451
3zw9NADPeroxisomal bifunctional enzyme1.1.1.350.451
4wh2ADPN-acetylhexosamine 1-kinase2.7.1.1620.451
5jscFADPutative acyl-CoA dehydrogenase/0.451
2a94AP0L-lactate dehydrogenase1.1.1.270.450
2po7CHDFerrochelatase, mitochondrial4.99.1.10.450
2y05NAPProstaglandin reductase 1/0.450
3nsh957Beta-secretase 13.4.23.460.450
3oqfS51Renin3.4.23.150.450
3zuyTCHTransporter/0.450
4i0i957Beta-secretase 13.4.23.460.450
1fy7COAHistone acetyltransferase ESA1/0.449
1i5cADPChemotaxis protein CheA2.7.13.30.449
1mjaCOAHistone acetyltransferase ESA1/0.449
1u8vFAD4-hydroxybutyryl-CoA dehydratase/vinylacetyl-CoA-Delta-isomerase/0.449
2he5NDPAldo-keto reductase family 1 member C211.1.10.449
3vw6IM6Mitogen-activated protein kinase kinase kinase 52.7.11.250.449
3vyfVYFRenin3.4.23.150.449
4bfvZVVPantothenate kinase2.7.1.330.449
4u0mGTPCyclic GMP-AMP synthase/0.449
5eaiFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.449
1adfTADAlcohol dehydrogenase E chain1.1.1.10.448
1ra3NAPDihydrofolate reductase1.5.1.30.448
2a0yDIHPurine nucleoside phosphorylase2.4.2.10.448
2y0mACOHistone acetyltransferase KAT8/0.448
3g49NAPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.448
3hyoADPPyridoxal kinase/0.448
3lfm3DTAlpha-ketoglutarate-dependent dioxygenase FTO/0.448
3uqdADPATP-dependent 6-phosphofructokinase isozyme 22.7.1.110.448
4jbqVX6Aurora kinase A2.7.11.10.448
4loqSB4Mitogen-activated protein kinase 14/0.448
4nd2A3DLactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase/0.448
1ia1NDPDihydrofolate reductase1.5.1.30.447
1qbgFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.447
1qlhNADAlcohol dehydrogenase E chain1.1.1.10.447
1rj6AZMCarbonic anhydrase 144.2.1.10.447
1t86CAMCamphor 5-monooxygenase1.14.15.10.447
1tqf32PBeta-secretase 13.4.23.460.447
1vyrFMNPentaerythritol tetranitrate reductase/0.447
2du8FADD-amino-acid oxidase1.4.3.30.447
3cgeCOACoenzyme A disulfide reductase/0.447
3d7kD7KBenzaldehyde lyase/0.447
3lpiZ74Beta-secretase 13.4.23.460.447
3lxiCAMCytochrome P450/0.447
3rukAERSteroid 17-alpha-hydroxylase/17,20 lyase/0.447
4zs2FLUAlpha-ketoglutarate-dependent dioxygenase FTO/0.447
1kbqFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.446
2p6kSAHDiphthine synthase/0.446
2q5g1FAPeroxisome proliferator-activated receptor delta/0.446
2vkeTACTetracycline repressor protein class D/0.446
2wyvNADEnoyl-[acyl-carrier-protein] reductase [NADH]/0.446
2xhd7T9Glutamate receptor 2/0.446
3jswJARHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.446
3kybFADUDP-galactopyranose mutase5.4.99.90.446
3uqdATPATP-dependent 6-phosphofructokinase isozyme 22.7.1.110.446
3vucHHERenin3.4.23.150.446
4dx7DM2Multidrug efflux pump subunit AcrB/0.446
4kqwNAPKetol-acid reductoisomerase (NADP(+))/0.446
4z64ILE_THR_GLN_TYS_TYSPhytosulfokine receptor 12.7.11.10.446
1culFOKAdenylate cyclase type 2/0.445
1culFOKAdenylate cyclase type 5/0.445
1g1aNADdTDP-glucose 4,6-dehydratase/0.445
1h5qNAPNADP-dependent mannitol dehydrogenase1.1.1.1380.445
1nytNAPShikimate dehydrogenase (NADP(+))/0.445
1rx8NAPDihydrofolate reductase1.5.1.30.445
1vzaUMPThymidylate synthase/0.445
2dsiSAHDiphthine synthase/0.445
2hfuMEVMevalonate kinase/0.445
2m56CAMCamphor 5-monooxygenase1.14.15.10.445
2vcmM11Isopenicillin N synthase1.21.3.10.445
3ai3NDPNADPH-sorbose reductase/0.445
3cgbCOACoenzyme A disulfide reductase/0.445
3gvhNADMalate dehydrogenase/0.445
3l9hEMQKinesin-like protein KIF11/0.445
4bcrWY1Peroxisome proliferator-activated receptor alpha/0.445
4ge70K5Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial2.6.1.390.445
4nkvAERSteroid 17-alpha-hydroxylase/17,20 lyase/0.445
4wjiNAPPutative cyclohexadienyl dehydrogenase and ADH prephenate dehydrogenase/0.445
6cp4CAMCamphor 5-monooxygenase1.14.15.10.445
1d4aFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.444
1phePIYCamphor 5-monooxygenase1.14.15.10.444
1pq944BOxysterols receptor LXR-beta/0.444
1szgFNSCytochrome b2, mitochondrial1.1.2.30.444
2e16SAHDiphthine synthase/0.444
2wo7ASVIsopenicillin N synthase1.21.3.10.444
3mdmFJZCholesterol 24-hydroxylase/0.444
3veu0GOBeta-secretase 13.4.23.460.444
4m4922YL-lactate dehydrogenase A chain1.1.1.270.444
4tuvCPZCytochrome P450 1191.140.444
1t4cCOAFormyl-CoA:oxalate CoA-transferase/0.443
1udaUFGUDP-glucose 4-epimerase5.1.3.20.443
2c54NADGDP-mannose 3,5-epimerase5.1.3.180.443
2j3jHC4NADPH-dependent oxidoreductase 2-alkenal reductase1.3.1.740.443
3cic316Beta-secretase 13.4.23.460.443
4hjfC2EGGDEF family protein/0.443
4nbwNADShort-chain dehydrogenase/reductase SDR/0.443
1dyjDDFDihydrofolate reductase1.5.1.30.442
1iwiCAMCamphor 5-monooxygenase1.14.15.10.442
1jtvTESEstradiol 17-beta-dehydrogenase 11.1.1.620.442
2c1bCQPcAMP-dependent protein kinase catalytic subunit alpha2.7.11.110.442
2q9fC3SCholesterol 24-hydroxylase/0.442
2rhgIGPTryptophan synthase alpha chain/0.442
2vnjFADNADPH:ferredoxin reductase/0.442
2zuiCAMCamphor 5-monooxygenase1.14.15.10.442
3dl9V2HVitamin D 25-hydroxylase/0.442
3ih0ANPUncharacterized sugar kinase PH14592.7.10.442
3iqhTYR_ASP_ILECysteine synthase2.5.1.470.442
3ixj586Beta-secretase 13.4.23.460.442
3lpjZ75Beta-secretase 13.4.23.460.442
3p62FMNPentaerythritol tetranitrate reductase/0.442
3qt62P0Mevalonate diphosphate decarboxylase/0.442
3toxNAPPutative oxidoreductase/0.442
4dpdDHFBifunctional dihydrofolate reductase-thymidylate synthase/0.442
4ocpADPN-acetylhexosamine 1-kinase2.7.1.1620.442
5b1yNDP3-oxoacyl-[acyl-carrier-protein] reductase/0.442
1h65GDPTranslocase of chloroplast 343.6.50.441
1qrpHH0Pepsin A-43.4.23.10.441
1rf7DHFDihydrofolate reductase1.5.1.30.441
1uxkNADMalate dehydrogenase/0.441
1y0s331Peroxisome proliferator-activated receptor delta/0.441
2bxoOPBSerum albumin/0.441
2g1r3IGRenin3.4.23.150.441
2g5cNADPrephenate dehydrogenase/0.441
2il2LIXRenin3.4.23.150.441
2ktdPUCProstaglandin-H2 D-isomerase5.3.99.20.441
2ociTYCValacyclovir hydrolase3.10.441
2q61SF1Peroxisome proliferator-activated receptor gamma/0.441
2qbnCAMCamphor 5-monooxygenase1.14.15.10.441
2rcyNAPPyrroline-5-carboxylate reductase/0.441
2xtnGTPGTPase IMAP family member 2/0.441
3cukFADD-amino-acid oxidase1.4.3.30.441
3iaeD7KBenzaldehyde lyase/0.441
3ik6HCZGlutamate receptor 2/0.441
3tnlNADShikimate dehydrogenase (NADP(+))/0.441
4f4dCHDFerrochelatase, mitochondrial4.99.1.10.441
4jnkZHKL-lactate dehydrogenase A chain1.1.1.270.441
4l49CAMCamphor 5-monooxygenase1.14.15.10.441
1g6kNADGlucose 1-dehydrogenase1.1.1.470.440
1in5ADPHolliday junction ATP-dependent DNA helicase RuvB/0.440
1w6hTITPlasmepsin-23.4.23.390.440
2gtnLIEMitogen-activated protein kinase 14/0.440
2ou2ACOHistone acetyltransferase KAT5/0.440
2ylzFADPhenylacetone monooxygenase1.14.13.920.440
2zb45OPProstaglandin reductase 21.3.1.480.440
3d2pCOAAmino-acid acetyltransferase/0.440
3d91REMRenin3.4.23.150.440
3dm6757Beta-secretase 13.4.23.460.440
4aosFADSteroid monooxygenase/0.440
4h8nNDPNADPH-dependent conjugated polyketone reductase C2/0.440
4yekTHMThymidine phosphorylase/0.440
4z63ILE_THR_GLN_TYS_TYSPhytosulfokine receptor 12.7.11.10.440