MolNFT v1 · #109580 · protein
M.TUBERCULOSIS betalactamase complexed with inhibitor EC19
4X6T · Beta-lactamase: “M.TUBERCULOSIS betalactamase complexed with inhibitor EC19”. X-ray diffraction, 2 ligands (3Y6, PO4), 1 pocket (best druggability 0.37). MolNFT v1 #109580 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4X6T
- Type
- protein
- Length
- 265 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- P9WKD3
- Ligands
- 3Y6, PO4
- Pockets
- 1 · best druggability 0.37
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (EC 3.5.2.6) | protein | 265 | 46% helix, 17% strand | P9WKD3 |
Ligands and binding sites
- 3Y6 · 3-[(2R)-2-(dihydroxyboranyl)-2-{[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid · ligand · chains A
- PO4 · Phosphate ion · ion · 7 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.37 | 0.74 | 22 | PO4, 3Y6 |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
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 P9WKD3
- Elsewhere: RCSB PDB 4X6T · PDBe 4X6T · UniProt P9WKD3
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