6Q30
Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 5
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 301 |
| Chain | Residue |
| A | ASP124 |
| A | CYS208 |
| A | HIS250 |
| A | HCH305 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 302 |
| Chain | Residue |
| A | HIS120 |
| A | HIS122 |
| A | HIS189 |
| A | HCH305 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue CA A 303 |
| Chain | Residue |
| A | ASP223 |
| A | HOH540 |
| B | GLU227 |
| B | HOH428 |
| B | HOH533 |
| A | GLU152 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue CA A 304 |
| Chain | Residue |
| A | ASP95 |
| A | ASP130 |
| A | HOH417 |
| A | HOH432 |
| A | HOH512 |
| A | HOH547 |
| A | HOH557 |
| site_id | AC5 |
| Number of Residues | 13 |
| Details | binding site for residue HCH A 305 |
| Chain | Residue |
| A | LEU65 |
| A | HIS120 |
| A | HIS122 |
| A | GLN123 |
| A | ASP124 |
| A | HIS189 |
| A | CYS208 |
| A | ASN220 |
| A | HIS250 |
| A | ZN301 |
| A | ZN302 |
| A | HOH414 |
| A | HOH528 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 301 |
| Chain | Residue |
| B | ASP124 |
| B | CYS208 |
| B | HIS250 |
| B | HCH305 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 302 |
| Chain | Residue |
| B | HIS120 |
| B | HIS122 |
| B | HIS189 |
| B | HCH305 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue CA B 303 |
| Chain | Residue |
| A | GLU227 |
| A | HOH430 |
| A | HOH505 |
| B | GLU152 |
| B | ASP223 |
| B | HOH539 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue CA B 304 |
| Chain | Residue |
| B | ASP95 |
| B | ASP130 |
| B | HOH404 |
| B | HOH476 |
| B | HOH564 |
| site_id | AD1 |
| Number of Residues | 13 |
| Details | binding site for residue HCH B 305 |
| Chain | Residue |
| B | HIS120 |
| B | HIS122 |
| B | GLN123 |
| B | ASP124 |
| B | HIS189 |
| B | ASN220 |
| B | HIS250 |
| B | ZN301 |
| B | ZN302 |
| B | HOH418 |
| B | HOH519 |
| B | HOH535 |
| B | HOH551 |
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 |
