MolNFT v1 · #153266 · protein
Serine beta-lactamase kpc-2 in complex with dual MBL/SBL inhibitor wl- 001
6J8Q: “Serine beta-lactamase kpc-2 in complex with dual MBL/SBL inhibitor wl- 001”. X-ray diffraction, 2 ligands (BHU, SO4). MolNFT v1 #153266 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6J8Q
- Type
- protein
- Length
- 1,048 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q93LQ9
- Ligands
- BHU, SO4
Structure
x-ray diffraction · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | — | protein | 264 | — | Q93LQ9 |
| B | — | protein | 262 | — | Q93LQ9 |
| D | — | protein | 258 | — | Q93LQ9 |
Ligands and binding sites
- BHU · [[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 2 copies · chains C, D
- PEG · Di(hydroxyethyl)ether · additive · 16 copies · chains A, B, C, D
- ACY · Acetic acid · additive · 6 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6J8Q · Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001 · the same entry in another collection · chain A against A, TM-score 1.00
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 Q93LQ9
- Elsewhere: RCSB PDB 6J8Q · PDBe 6J8Q · UniProt Q93LQ9
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