6CAC
Crystal structure of NDM-1 metallo-beta-lactamase harboring an insertion of a Pro residue in L3 loop
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | binding site for residue ZN A 1001 |
| Chain | Residue |
| A | HIS121 |
| A | HIS123 |
| A | HIS190 |
| A | ASN221 |
| A | CD1002 |
| A | HOH1191 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue CD A 1002 |
| Chain | Residue |
| A | ZN1001 |
| A | HOH1101 |
| A | HOH1191 |
| A | ASP125 |
| A | CYS209 |
| A | HIS251 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue NI A 1003 |
| Chain | Residue |
| A | HIS160 |
| A | HOH1203 |
| A | HOH1207 |
| A | HOH1223 |
| D | HIS160 |
| D | HOH1220 |
| site_id | AC4 |
| Number of Residues | 1 |
| Details | binding site for residue NI A 1004 |
| Chain | Residue |
| A | HIS262 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue CO A 1005 |
| Chain | Residue |
| A | GLU153 |
| A | ASP224 |
| B | GLU228 |
| B | HOH1276 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue CA A 1006 |
| Chain | Residue |
| A | ASP96 |
| A | ASP131 |
| A | HOH1215 |
| A | HOH1317 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 1007 |
| Chain | Residue |
| A | LYS212 |
| A | ALA216 |
| A | LYS217 |
| A | SER218 |
| A | HOH1161 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 1008 |
| Chain | Residue |
| A | HIS160 |
| A | SER161 |
| A | HOH1104 |
| A | HOH1121 |
| A | HOH1160 |
| A | HOH1255 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 1009 |
| Chain | Residue |
| A | PHE241 |
| A | PRO242 |
| A | LYS243 |
| A | ALA244 |
| A | HOH1143 |
| A | HOH1257 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 1001 |
| Chain | Residue |
| B | HIS121 |
| B | HIS123 |
| B | HIS190 |
| B | HOH1135 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue CD B 1002 |
| Chain | Residue |
| B | ASP125 |
| B | CYS209 |
| B | HIS251 |
| B | HOH1101 |
| B | HOH1135 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue NI B 1003 |
| Chain | Residue |
| B | HIS160 |
| B | HOH1226 |
| D | GLY37 |
| D | HIS38 |
| D | HOH1206 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue CO B 1004 |
| Chain | Residue |
| A | GLU228 |
| B | GLU153 |
| B | ASP224 |
| B | HOH1275 |
| site_id | AD5 |
| Number of Residues | 5 |
| Details | binding site for residue CA B 1005 |
| Chain | Residue |
| B | ASP96 |
| B | ASP131 |
| B | HOH1131 |
| B | HOH1244 |
| B | HOH1296 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 B 1006 |
| Chain | Residue |
| B | SER214 |
| B | THR261 |
| B | HIS262 |
| B | ARG265 |
| B | HOH1200 |
| site_id | AD7 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 B 1007 |
| Chain | Residue |
| B | PHE241 |
| B | PRO242 |
| B | LYS243 |
| B | ALA244 |
| B | HOH1130 |
| B | HOH1184 |
| B | HOH1207 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue ZN C 1001 |
| Chain | Residue |
| C | HIS121 |
| C | HIS123 |
| C | HIS190 |
| C | HOH1140 |
| site_id | AD9 |
| Number of Residues | 5 |
| Details | binding site for residue CD C 1002 |
| Chain | Residue |
| C | ASP125 |
| C | CYS209 |
| C | HIS251 |
| C | HOH1140 |
| C | HOH1251 |
| site_id | AE1 |
| Number of Residues | 5 |
| Details | binding site for residue NI C 1003 |
| Chain | Residue |
| A | GLY37 |
| A | HIS38 |
| A | HOH1235 |
| A | HOH1238 |
| C | HIS160 |
| site_id | AE2 |
| Number of Residues | 4 |
| Details | binding site for residue CO C 1004 |
| Chain | Residue |
| C | GLU153 |
| C | ASP224 |
| C | HOH1270 |
| D | GLU228 |
| site_id | AE3 |
| Number of Residues | 5 |
| Details | binding site for residue CA C 1005 |
| Chain | Residue |
| C | HOH1209 |
| C | HOH1246 |
| C | HOH1272 |
| C | ASP96 |
| C | ASP131 |
| site_id | AE4 |
| Number of Residues | 8 |
| Details | binding site for residue SO4 C 1006 |
| Chain | Residue |
| C | SER161 |
| C | HOH1110 |
| C | HOH1144 |
| C | HOH1146 |
| C | HOH1156 |
| D | ALA165 |
| D | ALA166 |
| D | HOH1115 |
| site_id | AE5 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 C 1007 |
| Chain | Residue |
| C | ARG257 |
| C | THR261 |
| C | THR261 |
| C | ARG265 |
| C | HOH1104 |
| C | HOH1148 |
| C | HOH1151 |
| site_id | AE6 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 C 1008 |
| Chain | Residue |
| C | PHE241 |
| C | PRO242 |
| C | LYS243 |
| C | ALA244 |
| C | HOH1138 |
| C | HOH1160 |
| C | HOH1202 |
| site_id | AE7 |
| Number of Residues | 5 |
| Details | binding site for residue ZN D 1001 |
| Chain | Residue |
| D | HIS121 |
| D | HIS123 |
| D | HIS190 |
| D | CD1002 |
| D | HOH1106 |
| site_id | AE8 |
| Number of Residues | 6 |
| Details | binding site for residue CD D 1002 |
| Chain | Residue |
| D | ASP125 |
| D | CYS209 |
| D | HIS251 |
| D | ZN1001 |
| D | HOH1106 |
| D | HOH1225 |
| site_id | AE9 |
| Number of Residues | 5 |
| Details | binding site for residue NI D 1003 |
| Chain | Residue |
| C | GLY37 |
| C | HIS38 |
| C | MET39 |
| C | HOH1249 |
| D | HIS262 |
| site_id | AF1 |
| Number of Residues | 4 |
| Details | binding site for residue CO D 1004 |
| Chain | Residue |
| C | GLU228 |
| D | GLU153 |
| D | ASP224 |
| D | HOH1258 |
| site_id | AF2 |
| Number of Residues | 3 |
| Details | binding site for residue CA D 1005 |
| Chain | Residue |
| D | ASP96 |
| D | ASP131 |
| D | HOH1215 |
| site_id | AF3 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 D 1006 |
| Chain | Residue |
| D | PHE241 |
| D | PRO242 |
| D | LYS243 |
| D | ALA244 |
| D | HOH1127 |
| D | HOH1185 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 24 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"22713171","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25815530","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"22713171","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
