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
PDB ID | HET | Uniprot Name | EC Number |
---|---|---|---|
3emz | HXH | Endo-1,4-beta-xylanase B | 3.2.1.8 |
PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
---|---|---|---|---|---|
3emz | HXH | Endo-1,4-beta-xylanase B | 3.2.1.8 | 1.000 | |
3cui | X4S | Exoglucanase/xylanase | 3.2.1.91 | 0.648 | |
2j7c | IDE | Beta-glucosidase A | 3.2.1.21 | 0.482 | |
1v08 | NTZ | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1, chloroplastic | 3.2.1.182 | 0.481 | |
2gg8 | U15 | Methionine aminopeptidase | / | 0.481 | |
2y1w | 849 | Histone-arginine methyltransferase CARM1 | / | 0.480 | |
3zj6 | VM2 | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.480 | |
4s1i | PLP | Pyridoxal kinase, putative | / | 0.479 | |
4br3 | U85 | Choline kinase alpha | 2.7.1.32 | 0.478 | |
4tvj | 09L | Poly [ADP-ribose] polymerase 2 | 2.4.2.30 | 0.475 | |
2y04 | 68H | Beta-1 adrenergic receptor | / | 0.475 | |
2z7g | EH9 | Adenosine deaminase | 3.5.4.4 | 0.468 | |
3gjw | GJW | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.467 | |
2xuh | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.466 | |
1e1f | PSG | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1, chloroplastic | 3.2.1.182 | 0.465 | |
2ggb | U17 | Methionine aminopeptidase | / | 0.464 | |
2f2h | XTG | Alpha-xylosidase | 3.2.1.177 | 0.463 | |
3zwx | AV1 | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | 3.2.2.6 | 0.463 | |
3bur | TES | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.462 | |
1uk1 | FRQ | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.461 | |
3i9j | NFD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | 3.2.2.6 | 0.461 | |
3gn7 | 3GN | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.460 | |
3i9k | NAD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | 3.2.2.6 | 0.460 | |
3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
4ey7 | E20 | Acetylcholinesterase | 3.1.1.7 | 0.460 | |
4nv1 | 4TG | Formyl transferase | / | 0.460 | |
2a3b | CFF | Endochitinase B1 | 3.2.1.14 | 0.459 | |
3u57 | DH8 | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.459 | |
4b12 | C23 | Glycylpeptide N-tetradecanoyltransferase | / | 0.459 | |
3zj7 | C1K | Strictosidine-O-beta-D-glucosidase | 3.2.1.105 | 0.458 | |
3vil | SA0 | Beta-glucosidase | / | 0.457 | |
1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.456 | |
3ptq | NFG | Beta-glucosidase 12 | / | 0.456 | |
1wkg | POI | [LysW]-aminoadipate semialdehyde transaminase | / | 0.455 | |
2pdu | 393 | Aldose reductase | 1.1.1.21 | 0.455 | |
3iu9 | T07 | Methionine aminopeptidase 2 | / | 0.455 | |
4drj | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.455 | |
4drj | RAP | Peptidyl-prolyl cis-trans isomerase FKBP4 | 5.2.1.8 | 0.455 | |
5jqh | CAU | Beta-2 adrenergic receptor | / | 0.455 | |
1u8x | NAD | Maltose-6'-phosphate glucosidase | 3.2.1.122 | 0.454 | |
1w6r | GNT | Acetylcholinesterase | 3.1.1.7 | 0.454 | |
3nub | UD0 | UDP-2-acetamido-2-deoxy-3-oxo-D-glucuronate aminotransferase | 2.6.1.98 | 0.454 | |
2hzq | STR | Apolipoprotein D | / | 0.453 | |
3ug8 | IMN | Aldo-keto reductase family 1 member C3 | / | 0.453 | |
4b1e | 6T6 | Beta-secretase 1 | 3.4.23.46 | 0.453 | |
2aot | SAH | Histamine N-methyltransferase | 2.1.1.8 | 0.452 | |
2c9z | QUE | Anthocyanidin 3-O-glucosyltransferase 2 | 2.4.1.115 | 0.452 | |
2j7d | GI1 | Beta-glucosidase A | 3.2.1.21 | 0.452 | |
3u5y | SCG | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.452 | |
3udj | 092 | Beta-secretase 1 | 3.4.23.46 | 0.452 | |
3uon | QNB | Muscarinic acetylcholine receptor M2 | / | 0.452 | |
1nqu | RDL | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.451 | |
2iki | 388 | Aldose reductase | 1.1.1.21 | 0.450 | |
2xys | SY9 | Soluble acetylcholine receptor | / | 0.449 | |
4u16 | 3C0 | Muscarinic acetylcholine receptor M3 | / | 0.449 | |
2oym | MNI | Endoglycoceramidase II | / | 0.448 | |
3l3m | A92 | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.448 | |
3uzz | ASD | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.448 | |
4cg8 | G8S | Choline kinase alpha | 2.7.1.32 | 0.448 | |
4fam | 0SZ | Aldo-keto reductase family 1 member C3 | / | 0.448 | |
3ny8 | JRZ | Beta-2 adrenergic receptor | / | 0.448 | |
1nsg | RAD | Peptidyl-prolyl cis-trans isomerase FKBP1A | 5.2.1.8 | 0.447 | |
1nsg | RAD | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.447 | |
4a7z | AY9 | Aldos-2-ulose dehydratase | / | 0.447 | |
4b7z | Q4Q | Acetylcholinesterase | 3.1.1.7 | 0.447 | |
2fap | RAD | Peptidyl-prolyl cis-trans isomerase FKBP1A | 5.2.1.8 | 0.446 | |
2fap | RAD | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.446 | |
2gg3 | U13 | Methionine aminopeptidase | / | 0.446 | |
2gyw | OBI | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
2rcw | AAI | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.446 | |
3aiq | HBO | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1b, chloroplastic | 3.2.1.182 | 0.446 | |
3f90 | FMN | Flavodoxin | / | 0.446 | |
3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.446 | |
1pax | DHQ | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.445 | |
1pr6 | XYA | Purine nucleoside phosphorylase DeoD-type | / | 0.445 | |
1q6n | P90 | Tyrosine-protein phosphatase non-receptor type 1 | 3.1.3.48 | 0.445 | |
2nmt | MIM | Glycylpeptide N-tetradecanoyltransferase | 2.3.1.97 | 0.445 | |
4bbh | YBN | Glycylpeptide N-tetradecanoyltransferase | / | 0.445 | |
1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
2fz8 | ZST | Aldose reductase | 1.1.1.21 | 0.444 | |
2ha6 | SCK | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
2p99 | YE6 | Methionine aminopeptidase | / | 0.444 | |
2vqq | TFG | Histone deacetylase 4 | 3.5.1.98 | 0.444 | |
2wea | PP6 | Penicillopepsin-1 | 3.4.23.20 | 0.444 | |
4kn1 | 04J | Folate receptor beta | / | 0.444 | |
4r5w | XAV | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.444 | |
2pb1 | NFG | Glucan 1,3-beta-glucosidase | / | 0.443 | |
3aiv | HBO | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase, chloroplastic | 3.2.1.182 | 0.443 | |
3v35 | NTI | Aldose reductase | 1.1.1.21 | 0.443 | |
3zec | ANP | Adenosine monophosphate-protein transferase SoFic | 2.7.7.n1 | 0.443 | |
4yfy | 0FX | VioF | / | 0.443 | |
1rvv | INI | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.442 | |
2ipi | AKY | Aclacinomycin-N/aclacinomycin-A oxidase | / | 0.442 | |
2jf0 | HBP | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
2rd6 | 78P | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.442 | |
4amj | CVD | Beta-1 adrenergic receptor | / | 0.442 | |
4mm7 | 29J | Na(+):neurotransmitter symporter (Snf family) | / | 0.442 | |
1kyv | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.441 | |
1pke | 2FD | Purine nucleoside phosphorylase DeoD-type | / | 0.441 | |
1vp5 | NAP | Oxidoreductase, aldo/keto reductase family | / | 0.441 | |
2q94 | A04 | Methionine aminopeptidase | / | 0.441 | |
2y03 | 5FW | Beta-1 adrenergic receptor | / | 0.441 | |
3cas | ASD | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.441 | |
4b6u | M7G | Eukaryotic translation initiation factor 4E type 3 | / | 0.441 | |
4j17 | 1HQ | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
4kn0 | MTX | Folate receptor beta | / | 0.441 | |
5a4w | QCT | Glutathione S-transferase F2 | 2.5.1.18 | 0.441 | |
1dlr | MXA | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
1efy | BZC | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.440 | |
2aot | 2PM | Histamine N-methyltransferase | 2.1.1.8 | 0.440 | |
2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
3ai0 | PNW | Beta-glucosidase | / | 0.440 | |
3bv7 | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.440 | |
3kmy | D8Y | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
4gv2 | 5ME | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.440 | |
4lrh | FOL | Folate receptor alpha | / | 0.440 |