6IBV
Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd 1
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | binding site for residue H9E A 301 |
| Chain | Residue |
| A | HIS120 |
| A | HOH496 |
| A | HIS122 |
| A | ASP124 |
| A | HIS189 |
| A | CYS208 |
| A | HIS250 |
| A | ZN302 |
| A | ZN303 |
| A | HOH445 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 302 |
| Chain | Residue |
| A | ASP124 |
| A | CYS208 |
| A | HIS250 |
| A | H9E301 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 303 |
| Chain | Residue |
| A | HIS120 |
| A | HIS122 |
| A | HIS189 |
| A | H9E301 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue CA A 304 |
| Chain | Residue |
| A | GLU152 |
| A | ASP223 |
| A | HOH549 |
| B | GLU227 |
| B | HOH531 |
| B | HOH563 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue CA A 305 |
| Chain | Residue |
| A | ASP95 |
| A | ASP130 |
| A | HOH466 |
| A | HOH541 |
| A | HOH551 |
| A | HOH568 |
| A | HOH578 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue CA A 306 |
| Chain | Residue |
| A | GLU227 |
| A | HOH512 |
| A | HOH565 |
| B | GLU152 |
| B | ASP223 |
| B | HOH565 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 301 |
| Chain | Residue |
| B | ARG234 |
| B | THR260 |
| B | ARG264 |
| B | HOH601 |
| site_id | AC8 |
| Number of Residues | 13 |
| Details | binding site for residue H9E B 302 |
| Chain | Residue |
| B | ASP66 |
| B | TRP93 |
| B | HIS120 |
| B | HIS122 |
| B | GLN123 |
| B | ASP124 |
| B | HIS189 |
| B | CYS208 |
| B | HIS250 |
| B | ZN303 |
| B | ZN304 |
| B | HOH487 |
| B | HOH512 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 303 |
| Chain | Residue |
| B | HIS120 |
| B | HIS122 |
| B | HIS189 |
| B | H9E302 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 304 |
| Chain | Residue |
| B | ASP124 |
| B | CYS208 |
| B | HIS250 |
| B | H9E302 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue MG B 305 |
| Chain | Residue |
| A | HOH544 |
| B | GLY178 |
| B | HOH419 |
| B | HOH542 |
| B | HOH583 |
| B | HOH608 |
| B | HOH622 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 12 |
| 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 | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"22713171","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
