Research workbench
Crystal structure of ndm-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd 1
Analyse Crystal structure of ndm-1 beta-lactamase in complex with broad spectrum… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6IBV
- Type
- protein
- Length
- 455 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- C7C422
- Ligands
- H9E, ZN, CA, MG
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 227 | — | C7C422 |
| B | — | protein | 228 | — | C7C422 |
Ligands and binding sites
- H9E · [5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl) boranuide · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
- CA · Calcium ion · metal · 3 copies · chains A, B
- MG · Magnesium ion · metal · chains B
- DMS · Dimethyl sulfoxide · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6IBV · Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic… · the same entry in another collection · chain A against A, TM-score 1.00
- C7C422 · AlphaFold monomer V2.0 prediction for metallo-beta-lactamase type 2 (C7C422) · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt C7C422
- Elsewhere: RCSB PDB 6IBV · PDBe 6IBV · UniProt C7C422
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