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 |
