4U4L
Crystal structure of the metallo-beta-lactamase NDM-1 in complex with a bisthiazolidine inhibitor
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 301 |
| Chain | Residue |
| A | HIS120 |
| A | HIS122 |
| A | HIS189 |
| A | 3C7303 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 302 |
| Chain | Residue |
| A | ASP124 |
| A | CYS208 |
| A | HIS250 |
| A | 3C7303 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | binding site for residue 3C7 A 303 |
| Chain | Residue |
| A | ASP124 |
| A | HIS189 |
| A | HIS250 |
| A | ZN301 |
| A | ZN302 |
| A | HOH480 |
| A | HOH562 |
| A | HOH563 |
| A | HIS122 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 301 |
| Chain | Residue |
| B | ASP124 |
| B | CYS208 |
| B | HIS250 |
| B | 3C7303 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 302 |
| Chain | Residue |
| B | HIS120 |
| B | HIS122 |
| B | HIS189 |
| B | 3C7303 |
| site_id | AC6 |
| Number of Residues | 9 |
| Details | binding site for residue 3C7 B 303 |
| Chain | Residue |
| B | HIS122 |
| B | ASP124 |
| B | HIS189 |
| B | HIS250 |
| B | ZN301 |
| B | ZN302 |
| B | HOH485 |
| B | HOH525 |
| B | HOH561 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue ZN C 301 |
| Chain | Residue |
| C | ASP124 |
| C | CYS208 |
| C | HIS250 |
| C | 3C7304 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue ZN C 302 |
| Chain | Residue |
| C | HIS120 |
| C | HIS122 |
| C | HIS189 |
| C | 3C7304 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | binding site for residue GOL C 303 |
| Chain | Residue |
| A | PRO150 |
| A | GLY153 |
| C | ARG234 |
| C | GLY237 |
| C | ALA238 |
| C | ARG256 |
| C | HOH412 |
| site_id | AD1 |
| Number of Residues | 12 |
| Details | binding site for residue 3C7 C 304 |
| Chain | Residue |
| C | VAL73 |
| C | TRP93 |
| C | HIS122 |
| C | ASP124 |
| C | HIS189 |
| C | HIS250 |
| C | ZN301 |
| C | ZN302 |
| C | HOH482 |
| C | HOH499 |
| C | HOH550 |
| C | HOH553 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue ZN D 301 |
| Chain | Residue |
| D | ASP124 |
| D | CYS208 |
| D | HIS250 |
| D | 3C7304 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue ZN D 302 |
| Chain | Residue |
| D | HIS120 |
| D | HIS122 |
| D | HIS189 |
| D | 3C7304 |
| site_id | AD4 |
| Number of Residues | 9 |
| Details | binding site for residue GOL D 303 |
| Chain | Residue |
| B | PRO150 |
| B | GLY153 |
| D | ARG234 |
| D | GLY237 |
| D | ALA238 |
| D | ARG256 |
| D | ILE259 |
| D | THR260 |
| D | HOH537 |
| site_id | AD5 |
| Number of Residues | 7 |
| Details | binding site for residue 3C7 D 304 |
| Chain | Residue |
| D | HIS122 |
| D | HIS189 |
| D | ASN220 |
| D | HIS250 |
| D | ZN301 |
| D | ZN302 |
| D | HOH642 |
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 |
