2Y37
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Functional Information from GO Data
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 A 1497 |
Chain | Residue |
A | ARG80 |
A | ILE89 |
A | HIS91 |
site_id | AC2 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE SO4 A 1498 |
Chain | Residue |
A | SER463 |
A | ASP406 |
A | ASP406 |
A | VAL409 |
A | THR410 |
A | THR410 |
A | SER463 |
site_id | AC3 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 B 1497 |
Chain | Residue |
B | ARG80 |
B | ILE89 |
B | HIS91 |
site_id | AC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL B 1498 |
Chain | Residue |
B | ASP250 |
B | ARG252 |
B | GLN304 |
B | THR492 |
B | HIS493 |
site_id | AC5 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL A 1499 |
Chain | Residue |
A | ASP250 |
A | ARG252 |
A | GLN304 |
A | THR492 |
A | HIS493 |
site_id | AC6 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE A54 A 1500 |
Chain | Residue |
A | GLN257 |
A | PRO344 |
A | ALA345 |
A | VAL346 |
A | PHE363 |
A | TRP366 |
A | TYR367 |
A | MET368 |
A | GLU371 |
A | HEM1501 |
site_id | AC7 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE A54 B 1499 |
Chain | Residue |
B | GLN257 |
B | PRO344 |
B | ALA345 |
B | VAL346 |
B | PHE363 |
B | TRP366 |
B | TYR367 |
B | MET368 |
B | GLU371 |
B | ARG382 |
B | HEM1500 |
site_id | AC8 |
Number of Residues | 14 |
Details | BINDING SITE FOR RESIDUE HEM A 1501 |
Chain | Residue |
A | TRP188 |
A | ARG193 |
A | CYS194 |
A | SER236 |
A | PHE363 |
A | ASN364 |
A | GLY365 |
A | TRP366 |
A | GLU371 |
A | TRP457 |
A | TYR485 |
A | A541500 |
A | H4B1502 |
A | HOH2149 |
site_id | AC9 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE H4B A 1502 |
Chain | Residue |
A | SER112 |
A | MET114 |
A | ARG375 |
A | TRP455 |
A | ILE456 |
A | TRP457 |
A | PHE470 |
A | HIS471 |
A | GLN472 |
A | GLU473 |
A | HEM1501 |
A | HOH2151 |
A | HOH2152 |
site_id | BC1 |
Number of Residues | 15 |
Details | BINDING SITE FOR RESIDUE HEM B 1500 |
Chain | Residue |
B | TRP188 |
B | ARG193 |
B | CYS194 |
B | ILE195 |
B | GLY196 |
B | SER236 |
B | PHE363 |
B | ASN364 |
B | GLY365 |
B | TRP366 |
B | GLU371 |
B | TRP457 |
B | TYR485 |
B | A541499 |
B | H4B1501 |
site_id | BC2 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE H4B B 1501 |
Chain | Residue |
B | SER112 |
B | MET114 |
B | ARG375 |
B | TRP455 |
B | ILE456 |
B | TRP457 |
B | PHE470 |
B | HIS471 |
B | GLN472 |
B | GLU473 |
B | HEM1500 |
B | HOH2136 |
Functional Information from PROSITE/UniProt
site_id | PS60001 |
Number of Residues | 8 |
Details | NOS Nitric oxide synthase (NOS) signature. RCIGRIqW |
Chain | Residue | Details |
A | ARG193-TRP200 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10562539, ECO:0000269|PubMed:10769116, ECO:0000269|PubMed:12464241, ECO:0007744|PDB:1DF1, ECO:0007744|PDB:1DWV, ECO:0007744|PDB:1DWW, ECO:0007744|PDB:1N2N |
Chain | Residue | Details |
A | CYS104 | |
A | CYS109 | |
B | CYS104 | |
B | CYS109 |
site_id | SWS_FT_FI2 |
Number of Residues | 2 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10562539, ECO:0000269|PubMed:10769116, ECO:0000269|PubMed:11669619, ECO:0000269|PubMed:12437348, ECO:0000269|PubMed:12464241, ECO:0000269|PubMed:9516116, ECO:0007744|PDB:1DF1, ECO:0007744|PDB:1DWX, ECO:0007744|PDB:1JWJ, ECO:0007744|PDB:1M8D, ECO:0007744|PDB:1M8E, ECO:0007744|PDB:1M8H, ECO:0007744|PDB:1M8I, ECO:0007744|PDB:1M9T, ECO:0007744|PDB:1N2N, ECO:0007744|PDB:1NOD, ECO:0007744|PDB:1QOM, ECO:0007744|PDB:2NOD, ECO:0007744|PDB:3NOD |
Chain | Residue | Details |
A | SER112 | |
B | SER112 |
site_id | SWS_FT_FI3 |
Number of Residues | 2 |
Details | BINDING: axial binding residue => ECO:0000269|PubMed:10562539, ECO:0000269|PubMed:10769116, ECO:0000269|PubMed:11669619, ECO:0000269|PubMed:12437348, ECO:0000269|PubMed:12464241, ECO:0000269|PubMed:9334294, ECO:0000269|PubMed:9516116, ECO:0007744|PDB:1DF1, ECO:0007744|PDB:1DWV, ECO:0007744|PDB:1DWW, ECO:0007744|PDB:1DWX, ECO:0007744|PDB:1JWJ, ECO:0007744|PDB:1JWK, ECO:0007744|PDB:1M8D, ECO:0007744|PDB:1M8E, ECO:0007744|PDB:1M8H, ECO:0007744|PDB:1M8I, ECO:0007744|PDB:1M9T, ECO:0007744|PDB:1N2N, ECO:0007744|PDB:1NOC, ECO:0007744|PDB:1NOD, ECO:0007744|PDB:1NOS, ECO:0007744|PDB:1QOM, ECO:0007744|PDB:2NOD, ECO:0007744|PDB:2NOS, ECO:0007744|PDB:3NOD |
Chain | Residue | Details |
A | CYS194 | |
B | CYS194 |
site_id | SWS_FT_FI4 |
Number of Residues | 8 |
Details | BINDING: BINDING => ECO:0000250|UniProtKB:P29474 |
Chain | Residue | Details |
A | GLN257 | |
A | TRP366 | |
A | TYR367 | |
A | GLU371 | |
B | GLN257 | |
B | TRP366 | |
B | TYR367 | |
B | GLU371 |
site_id | SWS_FT_FI5 |
Number of Residues | 2 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10562539, ECO:0000269|PubMed:10769116, ECO:0000269|PubMed:11669619, ECO:0000269|PubMed:12437348, ECO:0000269|PubMed:12464241, ECO:0000269|PubMed:9516116, ECO:0007744|PDB:1DF1, ECO:0007744|PDB:1DWX, ECO:0007744|PDB:1JWJ, ECO:0007744|PDB:1JWK, ECO:0007744|PDB:1M8D, ECO:0007744|PDB:1M8E, ECO:0007744|PDB:1M8H, ECO:0007744|PDB:1M8I, ECO:0007744|PDB:1M9T, ECO:0007744|PDB:1N2N, ECO:0007744|PDB:1NOD, ECO:0007744|PDB:1QOM, ECO:0007744|PDB:3NOD |
Chain | Residue | Details |
A | ARG375 | |
B | ARG375 |
site_id | SWS_FT_FI6 |
Number of Residues | 2 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10562539, ECO:0000269|PubMed:12437348, ECO:0000269|PubMed:12464241, ECO:0007744|PDB:1DF1, ECO:0007744|PDB:1M9T, ECO:0007744|PDB:1N2N |
Chain | Residue | Details |
A | ILE456 | |
B | ILE456 |
site_id | SWS_FT_FI7 |
Number of Residues | 2 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10562539, ECO:0000269|PubMed:10769116, ECO:0000269|PubMed:12437348, ECO:0000269|PubMed:12464241, ECO:0000269|PubMed:9516116, ECO:0007744|PDB:1DF1, ECO:0007744|PDB:1DWX, ECO:0007744|PDB:1M8D, ECO:0007744|PDB:1M8E, ECO:0007744|PDB:1M8I, ECO:0007744|PDB:1M9T, ECO:0007744|PDB:1N2N, ECO:0007744|PDB:1NOD, ECO:0007744|PDB:1QOM, ECO:0007744|PDB:2NOD, ECO:0007744|PDB:3NOD |
Chain | Residue | Details |
A | TRP457 | |
B | TRP457 |
site_id | SWS_FT_FI8 |
Number of Residues | 2 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10562539, ECO:0000269|PubMed:10769116, ECO:0000269|PubMed:11669619, ECO:0000269|PubMed:12437348, ECO:0000269|PubMed:12464241, ECO:0000269|PubMed:9516116, ECO:0007744|PDB:1DF1, ECO:0007744|PDB:1DWX, ECO:0007744|PDB:1JWJ, ECO:0007744|PDB:1JWK, ECO:0007744|PDB:1M8D, ECO:0007744|PDB:1M8E, ECO:0007744|PDB:1M8H, ECO:0007744|PDB:1M8I, ECO:0007744|PDB:1N2N, ECO:0007744|PDB:1NOD, ECO:0007744|PDB:1QOM, ECO:0007744|PDB:2NOD, ECO:0007744|PDB:3NOD |
Chain | Residue | Details |
A | PHE470 | |
B | PHE470 |
site_id | SWS_FT_FI9 |
Number of Residues | 2 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10562539, ECO:0000269|PubMed:10769116, ECO:0000269|PubMed:9516116, ECO:0007744|PDB:1DF1, ECO:0007744|PDB:1DWX, ECO:0007744|PDB:1NOD, ECO:0007744|PDB:1QOM, ECO:0007744|PDB:2NOD, ECO:0007744|PDB:3NOD |
Chain | Residue | Details |
A | TYR485 | |
B | TYR485 |