1SCW
TOWARD BETTER ANTIBIOTICS: CRYSTAL STRUCTURE OF R61 DD-PEPTIDASE INHIBITED BY A NOVEL MONOCYCLIC PHOSPHATE INHIBITOR
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004180 | molecular_function | carboxypeptidase activity |
| A | 0005576 | cellular_component | extracellular region |
| A | 0006508 | biological_process | proteolysis |
| A | 0008233 | molecular_function | peptidase activity |
| A | 0008360 | biological_process | regulation of cell shape |
| A | 0009002 | molecular_function | serine-type D-Ala-D-Ala carboxypeptidase activity |
| A | 0009252 | biological_process | peptidoglycan biosynthetic process |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0071555 | biological_process | cell wall organization |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE CP5 A 400 |
| Chain | Residue |
| A | GLY61 |
| A | VAL302 |
| A | GOL500 |
| A | GOL504 |
| A | HOH1213 |
| A | HOH1262 |
| A | HOH1380 |
| A | SER62 |
| A | ASP98 |
| A | TYR159 |
| A | ARG285 |
| A | HIS298 |
| A | THR299 |
| A | GLY300 |
| A | THR301 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 500 |
| Chain | Residue |
| A | PHE120 |
| A | TRP233 |
| A | THR301 |
| A | VAL302 |
| A | GLN303 |
| A | CP5400 |
| A | HOH1017 |
| A | HOH1134 |
| A | HOH1151 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 501 |
| Chain | Residue |
| A | HIS177 |
| A | GLY220 |
| A | GLY221 |
| A | LEU223 |
| A | HOH1089 |
| A | HOH1156 |
| A | HOH1174 |
| A | HOH1344 |
| A | HOH1346 |
| A | HOH1474 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 502 |
| Chain | Residue |
| A | TYR137 |
| A | GLU172 |
| A | HIS200 |
| A | HOH1037 |
| A | HOH1040 |
| A | HOH1041 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 503 |
| Chain | Residue |
| A | LEU191 |
| A | ASN192 |
| A | THR194 |
| A | GLN245 |
| A | ASP246 |
| A | THR249 |
| A | HOH1330 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 504 |
| Chain | Residue |
| A | SER86 |
| A | ASP114 |
| A | ASN117 |
| A | TYR159 |
| A | CP5400 |
| A | HOH1048 |
| A | HOH1185 |
| A | HOH1426 |
| site_id | AC7 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL A 505 |
| Chain | Residue |
| A | ILE205 |
| A | GLY207 |
| A | HIS209 |
| A | LYS346 |
| A | HOH1060 |
| A | HOH1196 |
| A | HOH1309 |
| A | HOH1343 |
| A | HOH1360 |
| A | HOH1362 |
| A | HOH1364 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Acyl-ester intermediate","evidences":[{"source":"PubMed","id":"12215418","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12564922","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15581896","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 9 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"12215418","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12564922","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15581896","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 5 |
| Details | Annotated By Reference To The Literature 1ei5 |
| Chain | Residue | Details |
| A | HIS298 | |
| A | SER62 | |
| A | ASN161 | |
| A | LYS65 | |
| A | TYR159 |
