3KGQ
Carboxypeptidase A liganded to an organic small-molecule: conformational changes
Functional Information from GO Data
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN A 401 |
Chain | Residue |
A | HIS69 |
A | GLU72 |
A | HIS196 |
A | CIT310 |
site_id | AC2 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE NA A 402 |
Chain | Residue |
A | LEU15 |
A | HIS120 |
site_id | AC3 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE CIT A 310 |
Chain | Residue |
A | ASN144 |
A | ARG145 |
A | HIS196 |
A | SER197 |
A | TYR248 |
A | ALA250 |
A | GLU270 |
A | ZN401 |
A | HOH431 |
A | HOH535 |
A | HIS69 |
A | GLU72 |
A | ARG127 |
site_id | AC4 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE ACN A 311 |
Chain | Residue |
A | GLN37 |
A | ARG40 |
site_id | AC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE FMT A 312 |
Chain | Residue |
A | ILE244 |
A | THR245 |
A | ILE247 |
A | HOH414 |
site_id | AC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE FMT A 313 |
Chain | Residue |
A | SER199 |
A | GLN200 |
A | LEU201 |
A | SER237 |
A | LYS239 |
A | HOH502 |
site_id | AC7 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE FMT A 314 |
Chain | Residue |
A | TYR206 |
A | LEU280 |
A | HOH474 |
site_id | AC8 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE GOL A 315 |
Chain | Residue |
A | ASN8 |
A | VAL183 |
A | GLY187 |
A | ASN188 |
A | PHE189 |
A | GLN261 |
A | ILE263 |
A | HOH514 |
site_id | AC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL A 317 |
Chain | Residue |
A | TYR9 |
A | TRP81 |
A | LYS85 |
A | GLU88 |
A | HOH518 |
site_id | BC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE GOL A 318 |
Chain | Residue |
A | GLU43 |
A | GOL319 |
A | HOH326 |
site_id | BC2 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE GOL A 319 |
Chain | Residue |
A | GLU43 |
A | GOL318 |
site_id | BC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GOL A 320 |
Chain | Residue |
A | TYR12 |
A | ARG124 |
A | LEU280 |
A | LEU281 |
Functional Information from PROSITE/UniProt
site_id | PS00132 |
Number of Residues | 23 |
Details | CARBOXYPEPT_ZN_1 Zinc carboxypeptidases, zinc-binding region 1 signature. PaIwIdlGiHSrEwITQatgvwF |
Chain | Residue | Details |
A | PRO60-PHE82 |
site_id | PS00133 |
Number of Residues | 11 |
Details | CARBOXYPEPT_ZN_2 Zinc carboxypeptidases, zinc-binding region 2 signature. HSYSQLLlYPY |
Chain | Residue | Details |
A | HIS196-TYR206 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 1 |
Details | ACT_SITE: Proton donor/acceptor => ECO:0000255|PROSITE-ProRule:PRU01379 |
Chain | Residue | Details |
A | GLU270 |
site_id | SWS_FT_FI2 |
Number of Residues | 3 |
Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01379, ECO:0000269|PubMed:12431056, ECO:0007744|PDB:1IY7 |
Chain | Residue | Details |
A | HIS69 | |
A | GLU72 | |
A | HIS196 |
site_id | SWS_FT_FI3 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000269|PubMed:12431056, ECO:0007744|PDB:1IY7 |
Chain | Residue | Details |
A | ARG127 | |
A | ASN144 | |
A | SER197 | |
A | TYR248 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 5 |
Details | M-CSA 171 |
Chain | Residue | Details |
A | HIS69 | metal ligand |
A | GLU72 | metal ligand |
A | ARG127 | electrostatic stabiliser, hydrogen bond donor |
A | HIS196 | metal ligand |
A | GLU270 | covalently attached, electrofuge, electrophile, hydrogen bond acceptor, hydrogen bond donor, nucleophile, proton acceptor, proton donor |