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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
5iubCLRAdenosine receptor A2a

Complex with similar binding sites

PDB ID HET Uniprot Name EC Number Binding Site
Similarity		 Align
5iubCLRAdenosine receptor A2a/1.000
5iu86DZAdenosine receptor A2a/0.784
5iu4ZMAAdenosine receptor A2a/0.772
5iua6DXAdenosine receptor A2a/0.703
5k2dZMAAdenosine receptor A2a/0.693
4eiyZMAAdenosine receptor A2a/0.672
5k2cZMAAdenosine receptor A2a/0.658
5jtbZMAAdenosine receptor A2a/0.656
5k2bZMAAdenosine receptor A2a/0.651
5k2aZMAAdenosine receptor A2a/0.641
3emlZMAAdenosine receptor A2a/0.640
5uviZMAAdenosine receptor A2a/0.635
4ug2NGIAdenosine receptor A2a/0.570
4uhrNGIAdenosine receptor A2a/0.538
3vg9ZMAAdenosine receptor A2a/0.517
5g53NECAdenosine receptor A2a/0.510
4cjx9L9C-1-tetrahydrofolate synthase, cytoplasmic, putative/0.506
2ydoADNAdenosine receptor A2a/0.500
1so2666cGMP-inhibited 3',5'-cyclic phosphodiesterase B3.1.4.170.493
2ydvNECAdenosine receptor A2a/0.490
3zkyWT4Isopenicillin N synthase1.21.3.10.489
2y60M8FIsopenicillin N synthase1.21.3.10.481
4j6dTESCytochrome P450 monooxygenase/0.481
4r21STRCytochrome P450 family 17 polypeptide 2/0.481
3itzP66Mitogen-activated protein kinase 14/0.480
3pwhZMAAdenosine receptor A2a/0.480
4g95OAGDihydrofolate reductase1.5.1.30.479
5dp2NAPCurF/0.479
1bk0ACVIsopenicillin N synthase1.21.3.10.478
1blzACVIsopenicillin N synthase1.21.3.10.477
1upw444Oxysterols receptor LXR-beta/0.477
2y6fM9FIsopenicillin N synthase1.21.3.10.475
4ejn0R4RAC-alpha serine/threonine-protein kinase2.7.11.10.475
2iviACWIsopenicillin N synthase1.21.3.10.473
4iaq2GM5-hydroxytryptamine receptor 1B/0.473
1hb1OCVIsopenicillin N synthase1.21.3.10.471
3zoiM2WIsopenicillin N synthase1.21.3.10.471
4j6cSTRCytochrome P450 monooxygenase/0.471
1hb3SCVIsopenicillin N synthase1.21.3.10.470
1w06W05Isopenicillin N synthase1.21.3.10.470
3tdaPN0Cytochrome P450 2D6/0.470
4b4vL34Bifunctional protein FolD/0.470
4r20AERCytochrome P450 family 17 polypeptide 2/0.470
1uzwCDHIsopenicillin N synthase1.21.3.10.469
1a4iNDPC-1-tetrahydrofolate synthase, cytoplasmic1.5.1.50.468
1fmjRTLRetinol dehydratase/0.468
1obnASVIsopenicillin N synthase1.21.3.10.468
3lpfZ77Beta-glucuronidase3.2.1.310.468
4equG6ISerine/threonine-protein kinase 102.7.11.10.468
2f4jVX6Tyrosine-protein kinase ABL12.7.10.20.467
1iolESTEstradiol 17-beta-dehydrogenase 11.1.1.620.466
3ds6A17Mitogen-activated protein kinase 14/0.466
3slkNDPPolyketide synthase extender module 2/0.466
3qakUKAAdenosine receptor A2a/0.466
2e98B29Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)2.5.1.310.465
2f4bEHAPeroxisome proliferator-activated receptor gamma/0.465
2vbdV10Isopenicillin N synthase1.21.3.10.465
1y5rC0RCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.464
2jb4A14Isopenicillin N synthase1.21.3.10.463
3gc9B45Mitogen-activated protein kinase 112.7.11.240.463
3kpkFADSulfide-quinone reductase/0.463
1hskFADUDP-N-acetylenolpyruvoylglucosamine reductase/0.462
3g45988cAMP-specific 3',5'-cyclic phosphodiesterase 4B3.1.4.530.462
4pd6URINucleoside permease/0.462
3dysIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.461
4fjz4FJPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform2.7.1.1530.461
4flh14KPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform2.7.1.1530.461
1diuBDMDihydrofolate reductase1.5.1.30.460
2zbaZBATrichothecene 3-O-acetyltransferase/0.460
4nc3ERM5-hydroxytryptamine receptor 2B/0.460
1ia4TQ6Dihydrofolate reductase1.5.1.30.459
1siqFADGlutaryl-CoA dehydrogenase, mitochondrial1.3.8.60.459
3dheANDEstradiol 17-beta-dehydrogenase 11.1.1.620.459
3oafOAGDihydrofolate reductase1.5.1.30.459
4at0FADPossible succinate dehydrogenase/0.459
2gfsPQBMitogen-activated protein kinase 14/0.458
2vn0TDZCytochrome P450 2C8/0.458
2zb1GK4Mitogen-activated protein kinase 14/0.458
3be2RAJVascular endothelial growth factor receptor 22.7.10.10.458
3gytDL4Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily/0.458
4jib1L6cGMP-dependent 3',5'-cyclic phosphodiesterase3.1.4.170.458
1fdwESTEstradiol 17-beta-dehydrogenase 11.1.1.620.457
1osvCHCBile acid receptor/0.457
2ic5GNPRas-related C3 botulinum toxin substrate 3/0.457
2vwx7X4Ephrin type-B receptor 42.7.10.10.457
3mpiFADGlutaryl-CoA dehydrogenase1.3.99.320.457
4dggI76Proto-oncogene tyrosine-protein kinase Src2.7.10.20.457
1iyzNDPProbable quinone oxidoreductase/0.456
1oc1ASVIsopenicillin N synthase1.21.3.10.456
2ivnANPtRNA N6-adenosine threonylcarbamoyltransferase/0.456
2ivpATPtRNA N6-adenosine threonylcarbamoyltransferase/0.456
3u8hBHPPhospholipase A2, membrane associated/0.456
4bbxLKFcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.456
4jbtASDCytochrome P450 monooxygenase/0.456
1e2jTHMThymidine kinase/0.455
1mkdZARcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.455
3fnhJPJEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.455
4wo5324Serine/threonine-protein kinase B-raf2.7.11.10.455
2belCBOCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.454
2c59NADGDP-mannose 3,5-epimerase5.1.3.180.454
2po7CHDFerrochelatase, mitochondrial4.99.1.10.454
3zkuHCVIsopenicillin N synthase1.21.3.10.454
4bb3KKAIsopenicillin N synthase1.21.3.10.454
4bfuZVUPantothenate kinase2.7.1.330.454
4i6f1C7Serine/threonine-protein kinase PLK22.7.11.210.454
1p8dCO1Oxysterols receptor LXR-beta/0.453
1xkdNAPIsocitrate dehydrogenase [NADP]/0.453
2weyEV1cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.453
3ggpNADPrephenate dehydrogenase/0.453
3qlrNDPDihydrofolate reductase1.5.1.30.453
4a81DXCMajor pollen allergen Bet v 1-A/0.453
1fduESTEstradiol 17-beta-dehydrogenase 11.1.1.620.452
1g6oADPCag alpha/0.452
1w7h3IPMitogen-activated protein kinase 14/0.452
2fszOHTEstrogen receptor beta/0.452
3cqeP91Wee1-like protein kinase2.7.10.20.452
4wa9AXITyrosine-protein kinase ABL12.7.10.20.452
1qjfACSIsopenicillin N synthase1.21.3.10.451
2vbpVB1Isopenicillin N synthase1.21.3.10.451
4h9614QDihydrofolate reductase1.5.1.30.451
1fm4DXCMajor pollen allergen Bet v 1-L/0.450
1qiqACCIsopenicillin N synthase1.21.3.10.450
1qknRALEstrogen receptor beta/0.450
2vcmM11Isopenicillin N synthase1.21.3.10.450
3t14FADSulfide-quinone reductase/0.450
3vs4VSFTyrosine-protein kinase HCK2.7.10.20.450
4ib4ERM5-hydroxytryptamine receptor 2B/0.450
4mq22C4Dual specificity tyrosine-phosphorylation-regulated kinase 1A2.7.12.10.450
4okx198Androgen receptor/0.450
1fmlRTLRetinol dehydratase/0.449
1pqc444Oxysterols receptor LXR-beta/0.449
1rk3VDXVitamin D3 receptor/0.449
1xonPILcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.449
2pr2DG1Enoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.449
3dy8IBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.449
4i8vBHFCytochrome P450 1A11.14.14.10.449
4twnB96Ephrin type-A receptor 32.7.10.10.449
1e92HBIPteridine reductase 11.5.1.330.448
2bfmTOPPteridine reductase 11.5.1.330.448
2hasC3OVitamin D3 receptor/0.448
3apfBMWPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform2.7.1.1530.448
4a83DXCMajor pollen allergen Bet v 1-A/0.448
4bc7FADAlkyldihydroxyacetonephosphate synthase, peroxisomal2.5.1.260.448
4bfyZVYPantothenate kinase2.7.1.330.448
4ej1FOLDihydrofolate reductase1.5.1.30.448
1crbRTLRetinol-binding protein 1/0.447
3ha5SFGHydroxymycolate synthase MmaA42.1.10.447
4c2jCOA3-ketoacyl-CoA thiolase, mitochondrial2.3.1.160.447
5hbsRTLRetinol-binding protein 1/0.447
1pq944BOxysterols receptor LXR-beta/0.446
1rgsCMPcAMP-dependent protein kinase type I-alpha regulatory subunit/0.446
2ar8FADFlavin-dependent tryptophan halogenase PrnA1.14.19.90.446
2bf7HBIPteridine reductase 11.5.1.330.446
2g0nGDPRas-related C3 botulinum toxin substrate 3/0.446
2zb8IMNProstaglandin reductase 21.3.1.480.446
3vrzVRZTyrosine-protein kinase HCK2.7.10.20.446
4lb2DM5Serum albumin/0.446
4z9rNADOmega-3 polyunsaturated fatty acid synthase subunit PfaD/0.446
2azyCHDPhospholipase A2, major isoenzyme3.1.1.40.445
3b8r887Vascular endothelial growth factor receptor 22.7.10.10.445
4b4w9L9Bifunctional protein FolD/0.445
4l23X6KPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/0.445
5bvw1N1Epithelial discoidin domain-containing receptor 12.7.10.10.445
5dozNDPJamJ/0.445
1qyxASDEstradiol 17-beta-dehydrogenase 11.1.1.620.444
2cvzNDP3-hydroxyisobutyrate dehydrogenase/0.444
2ouu35GcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.444
3a783EVVitamin D3 receptor/0.444
3bgxMEFThymidylate synthase/0.444
3g5sFADMethylenetetrahydrofolate--tRNA-(uracil-5-)-methyltransferase TrmFO/0.444
3h4vDVPPteridine reductase 11.5.1.330.444
3l0lHC3Nuclear receptor ROR-gamma/0.444
3qm4PN0Cytochrome P450 2D6/0.444
3t2kFADSulfide-quinone reductase/0.444
4mvh2F5cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.444
5hes032Mitogen-activated protein kinase kinase kinase 202.7.11.250.444
1q0rAKTAclacinomycin methylesterase RdmC3.1.1.950.443
2c0iL1GTyrosine-protein kinase HCK2.7.10.20.443
3w0jT08Vitamin D3 receptor/0.443
3wv9FEGHmd co-occurring protein HcgE/0.443
3zcnATPAdenosine monophosphate-protein transferase SoFic2.7.7.n10.443
4wdb2AM2',3'-cyclic-nucleotide 3'-phosphodiesterase3.1.4.370.443
1errRALEstrogen receptor/0.442
1mrqSTRAldo-keto reductase family 1 member C1/0.442
2chz093Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform2.7.1.1530.442
2dvlFADAcyl-CoA dehydrogenase/0.442
2rbeNDPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.442
2zm1KSFTyrosine-protein kinase Lck2.7.10.20.442
3up0D7SaceDAF-12/0.442
3v94WYQPhosphodiesterase/0.442
3vtbTKAVitamin D3 receptor/0.442
4at5MUJBDNF/NT-3 growth factors receptor2.7.10.10.442
4bb6HD1Corticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.442
4c7kNAPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.442
4iarERM5-hydroxytryptamine receptor 1B/0.442
4qbjNHMGlycylpeptide N-tetradecanoyltransferase2.3.1.970.442
4tzt468Enoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.442
5dc5B3NHistone deacetylase 83.5.1.980.442
3reyXACAdenosine receptor A2a/0.442
1e1nFADNADPH:adrenodoxin oxidoreductase, mitochondrial1.18.1.60.441
1y60H4M5,6,7,8-tetrahydromethanopterin hydro-lyase4.2.1.1470.441
3a1l2CCCytochrome P450/0.441
3ac3KSHTyrosine-protein kinase Lck2.7.10.20.441
3jswJARHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.441
3oqkS52Renin3.4.23.150.441
3q9tFAYUncharacterized protein/0.441
3sl6JN8cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.441
3wavDWVEctonucleotide pyrophosphatase/phosphodiesterase family member 23.1.4.390.441
4grb0XGCasein kinase II subunit alpha2.7.11.10.441
4h9506UDihydrofolate reductase1.5.1.30.441
4jqh1MFAlr2278 protein/0.441
4jvf17XRetinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta/0.441
1ezvSMACytochrome b/0.440
1gnwGTXGlutathione S-transferase F22.5.1.180.440
1kb9SMACytochrome b/0.440
1kyoSMACytochrome b/0.440
1n83CLRNuclear receptor ROR-alpha/0.440
1pz1NAPGeneral stress protein 69/0.440
1qyw5SDEstradiol 17-beta-dehydrogenase 11.1.1.620.440
1y2c3DEcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.440
2c3qGTXGlutathione S-transferase theta-12.5.1.180.440
2io6330Wee1-like protein kinase2.7.10.20.440
2itqITQEpidermal growth factor receptor2.7.10.10.440
2o4rVD5Vitamin D3 receptor/0.440
3g4lROFcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.440
3gyuDL7Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily/0.440
3vs6VSHTyrosine-protein kinase HCK2.7.10.20.440
4bgePYWEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.440
4nieNBHNuclear receptor ROR-gamma/0.440
5fsxADPUncharacterized protein/0.440