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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
4a4xJUPSerine/threonine-protein kinase Nek22.7.11.1

Complex with similar binding sites

PDB ID HET Uniprot Name EC Number Binding Site
Similarity		 Align
4a4xJUPSerine/threonine-protein kinase Nek22.7.11.11.000
4afeGGYSerine/threonine-protein kinase Nek22.7.11.10.817
2xk4OL2Serine/threonine-protein kinase Nek22.7.11.10.682
2xk730ESerine/threonine-protein kinase Nek22.7.11.10.570
2xnpWCXSerine/threonine-protein kinase Nek22.7.11.10.569
2xkeWI2Serine/threonine-protein kinase Nek22.7.11.10.561
2xk3XK3Serine/threonine-protein kinase Nek22.7.11.10.551
2xkc4VQSerine/threonine-protein kinase Nek22.7.11.10.529
4j521J3Serine/threonine-protein kinase PLK12.7.11.210.528
2yac937Serine/threonine-protein kinase PLK12.7.11.210.521
2xk85R1Serine/threonine-protein kinase Nek22.7.11.10.519
2xkdT3MSerine/threonine-protein kinase Nek22.7.11.10.519
4i6h1C8Serine/threonine-protein kinase PLK22.7.11.210.518
4a4o664Serine/threonine-protein kinase PLK12.7.11.210.514
2rkuR78Serine/threonine-protein kinase PLK12.7.11.210.508
2wqoVGKSerine/threonine-protein kinase Nek22.7.11.10.502
4j531J4Serine/threonine-protein kinase PLK12.7.11.210.502
2xnn430Serine/threonine-protein kinase Nek22.7.11.10.495
4i6f1C7Serine/threonine-protein kinase PLK22.7.11.210.489
4a4l939Serine/threonine-protein kinase PLK12.7.11.210.488
2zsdCOAPantothenate kinase2.7.1.330.487
1yc2NADNAD-dependent protein deacylase 2/0.486
2xk6EQHSerine/threonine-protein kinase Nek22.7.11.10.486
2owb626Serine/threonine-protein kinase PLK12.7.11.210.485
5dp2NAPCurF/0.484
4b6l9ZPSerine/threonine-protein kinase PLK32.7.11.210.474
2xkfBX1Serine/threonine-protein kinase Nek22.7.11.10.472
4kbn25UDihydrofolate reductase1.5.1.30.471
2pr2DG1Enoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.470
2bfpH4BPteridine reductase 11.5.1.330.469
3h4vDVPPteridine reductase 11.5.1.330.469
3zkyWT4Isopenicillin N synthase1.21.3.10.467
1e92HBIPteridine reductase 11.5.1.330.466
2y98MIVMycinamicin IV hydroxylase/epoxidase/0.465
1ej3CZHAequorin-2/0.463
1kyxCRM6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.463
1mkdZARcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.463
2xnoED8Serine/threonine-protein kinase Nek22.7.11.10.463
2ewaSB2Mitogen-activated protein kinase 14/0.461
3a1l2CCCytochrome P450/0.461
2f98NGVAklanonic acid methyl ester cyclase AcmA5.5.1.230.460
4g3jVNTLanosterol 14-alpha-demethylase/0.460
4kfj1R0Dihydrofolate reductase1.5.1.30.460
1qv0CZHObelin/0.459
2ejzSAHDiphthine synthase/0.459
2qimZEAClass 10 plant pathogenesis-related protein/0.459
3nrrD16Bifunctional dihydrofolate reductase-thymidylate synthase/0.459
3tubFPUTyrosine-protein kinase SYK2.7.10.20.459
1fmlRTLRetinol dehydratase/0.457
4fk3325Serine/threonine-protein kinase B-raf2.7.11.10.457
2qhxFE1Pteridine reductase 11.5.1.330.456
1x8lOXRRetinol dehydratase/0.455
2bf7HBIPteridine reductase 11.5.1.330.455
3cth319Hepatocyte growth factor receptor2.7.10.10.455
3up3XCAaceDAF-12/0.454
4rn615UProthrombin3.4.21.50.454
4zzjCNANAD-dependent protein deacetylase sirtuin-13.5.10.454
5f54TMPSingle-stranded-DNA-specific exonuclease/0.454
1hb1OCVIsopenicillin N synthase1.21.3.10.453
1q0rAKTAclacinomycin methylesterase RdmC3.1.1.950.453
2bfaCB3Pteridine reductase 11.5.1.330.453
2fb8215Serine/threonine-protein kinase B-raf2.7.11.10.452
2uagUMAUDP-N-acetylmuramoylalanine--D-glutamate ligase6.3.2.90.452
3zoiM2WIsopenicillin N synthase1.21.3.10.452
1xf0ASDAldo-keto reductase family 1 member C3/0.451
1xuoLA1Integrin alpha-L/0.451
2gesCOKPantothenate kinase2.7.1.330.451
4iah1DXAlr2278 protein/0.451
1q0zAKAAclacinomycin methylesterase RdmC3.1.1.950.450
3czr3CZCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.450
1ml6GBXGlutathione S-transferase A22.5.1.180.448
1qiqACCIsopenicillin N synthase1.21.3.10.448
1vbiNADMalate/L-lactate dehydrogenase family protein/0.448
2bfmTOPPteridine reductase 11.5.1.330.448
3b9oFMNAlkane monoxygenase/0.448
1y60H4M5,6,7,8-tetrahydromethanopterin hydro-lyase4.2.1.1470.447
4bfuZVUPantothenate kinase2.7.1.330.447
4eevL1XHepatocyte growth factor receptor2.7.10.10.447
1uzwCDHIsopenicillin N synthase1.21.3.10.446
1wxyFRKAdenosine deaminase3.5.4.40.446
2xnmWGZSerine/threonine-protein kinase Nek22.7.11.10.446
1ndzFR5Adenosine deaminase3.5.4.40.445
2getCOKPantothenate kinase2.7.1.330.445
2j3jHC4NADPH-dependent oxidoreductase 2-alkenal reductase1.3.1.740.445
4bfxZVXPantothenate kinase2.7.1.330.445
2gevCOKPantothenate kinase2.7.1.330.444
1yhjR6CPyridoxal kinase2.7.1.350.443
3ufwHW0Nitric oxide synthase, brain1.14.13.390.443
1blzACVIsopenicillin N synthase1.21.3.10.442
1eioGCHGastrotropin/0.442
1mczRMNBenzoylformate decarboxylase4.1.1.70.442
1pq944BOxysterols receptor LXR-beta/0.442
1y2c3DEcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.442
3d4bDZDNAD-dependent protein deacetylase/0.442
3pz23PZGeranylgeranyl transferase type-2 subunit beta2.5.1.600.442
3slkNDPPolyketide synthase extender module 2/0.442
4bb3KKAIsopenicillin N synthase1.21.3.10.442
5bvw1N1Epithelial discoidin domain-containing receptor 12.7.10.10.442
1oc1ASVIsopenicillin N synthase1.21.3.10.441
2rjp886A disintegrin and metalloproteinase with thrombospondin motifs 43.4.24.820.441
3qm4PN0Cytochrome P450 2D6/0.441
3t8xT8XT-cell surface glycoprotein CD1b/0.441
4f1mACPProbable serine/threonine-protein kinase roco42.7.11.10.441
1h69ARHNAD(P)H dehydrogenase [quinone] 11.6.5.20.440
2jb4A14Isopenicillin N synthase1.21.3.10.440
3g58988cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.440
4b12C23Glycylpeptide N-tetradecanoyltransferase/0.440
4fnyI3KALK tyrosine kinase receptor2.7.10.10.440