3FVL
Crystallogic studies on the Complex of Carboxypeptidase A with inhibitors using alpha-hydroxy ketone as zinc-binding group
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004181 | molecular_function | metallocarboxypeptidase activity |
A | 0006508 | biological_process | proteolysis |
A | 0008270 | molecular_function | zinc ion binding |
C | 0004181 | molecular_function | metallocarboxypeptidase activity |
C | 0006508 | biological_process | proteolysis |
C | 0008270 | molecular_function | zinc ion binding |
E | 0004181 | molecular_function | metallocarboxypeptidase activity |
E | 0006508 | biological_process | proteolysis |
E | 0008270 | molecular_function | zinc ion binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN A1309 |
Chain | Residue |
A | HIS69 |
A | GLU72 |
A | HIS196 |
A | BHK311 |
site_id | AC2 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE BHK A 311 |
Chain | Residue |
A | HIS196 |
A | TYR248 |
A | ALA250 |
A | SER251 |
A | GLY253 |
A | GLU270 |
A | ZN1309 |
A | HIS69 |
A | GLU72 |
A | ARG127 |
A | ASN144 |
A | ARG145 |
site_id | AC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN C1309 |
Chain | Residue |
C | HIS69 |
C | GLU72 |
C | HIS196 |
C | BHK311 |
site_id | AC4 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE BHK C 311 |
Chain | Residue |
C | HIS69 |
C | GLU72 |
C | ARG127 |
C | ASN144 |
C | ARG145 |
C | HIS196 |
C | SER197 |
C | ILE243 |
C | ALA250 |
C | GLU270 |
C | PHE279 |
C | HOH480 |
C | ZN1309 |
site_id | AC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN E1309 |
Chain | Residue |
E | HIS69 |
E | GLU72 |
E | HIS196 |
E | BHK311 |
site_id | AC6 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE BHK E 311 |
Chain | Residue |
E | HIS69 |
E | GLU72 |
E | ARG127 |
E | ASN144 |
E | ARG145 |
E | HIS196 |
E | TYR248 |
E | ALA250 |
E | GLY253 |
E | GLU270 |
E | PHE279 |
E | ZN1309 |
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 | 3 |
Details | ACT_SITE: Proton donor/acceptor => ECO:0000255|PROSITE-ProRule:PRU01379 |
Chain | Residue | Details |
A | GLU270 | |
C | GLU270 | |
E | GLU270 |
site_id | SWS_FT_FI2 |
Number of Residues | 9 |
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 | |
C | HIS69 | |
C | GLU72 | |
C | HIS196 | |
E | HIS69 | |
E | GLU72 | |
E | HIS196 |
site_id | SWS_FT_FI3 |
Number of Residues | 12 |
Details | BINDING: BINDING => ECO:0000269|PubMed:12431056, ECO:0007744|PDB:1IY7 |
Chain | Residue | Details |
A | ARG127 | |
E | ASN144 | |
E | SER197 | |
E | TYR248 | |
A | ASN144 | |
A | SER197 | |
A | TYR248 | |
C | ARG127 | |
C | ASN144 | |
C | SER197 | |
C | TYR248 | |
E | ARG127 |
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 |
site_id | MCSA2 |
Number of Residues | 5 |
Details | M-CSA 171 |
Chain | Residue | Details |
C | HIS69 | metal ligand |
C | GLU72 | metal ligand |
C | ARG127 | electrostatic stabiliser, hydrogen bond donor |
C | HIS196 | metal ligand |
C | GLU270 | covalently attached, electrofuge, electrophile, hydrogen bond acceptor, hydrogen bond donor, nucleophile, proton acceptor, proton donor |
site_id | MCSA3 |
Number of Residues | 5 |
Details | M-CSA 171 |
Chain | Residue | Details |
E | HIS69 | metal ligand |
E | GLU72 | metal ligand |
E | ARG127 | electrostatic stabiliser, hydrogen bond donor |
E | HIS196 | metal ligand |
E | GLU270 | covalently attached, electrofuge, electrophile, hydrogen bond acceptor, hydrogen bond donor, nucleophile, proton acceptor, proton donor |