MolNFT v1 · #115370 · protein
Crystal structure of fox-4 cephamycinase complexed with ceftazidime batsi (LP06)
5CHM · Beta-lactamase: “Crystal structure of fox-4 cephamycinase complexed with ceftazidime batsi (LP06)”. X-ray diffraction, 3 ligands (CB4, ZN, NA), 3 pockets (best druggability 0.52). MolNFT v1 #115370 on GenesisL1: 3D structure…
- PDB
- 5CHM
- Type
- protein
- Length
- 355 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- Q9L387
- Ligands
- CB4, ZN, NA
- Pockets
- 3 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (EC 3.5.2.6) | protein | 355 | 41% helix, 23% strand | Q9L387 |
Ligands and binding sites
- CB4 · Pinacol[[2-amino-alpha-(1-carboxy-1-methylethoxyimino)-4-thiazoleacetyl]amino]methaneboronate · ligand · chains A
- ZN · Zinc ion · metal · 5 copies · chains A
- NA · Sodium ion · metal · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 168 | 0.52 | 0.79 | 30 | CB4 |
| 2 | 81 | 0.42 | 0.79 | 15 | empty |
| 3 | 124 | 0.42 | 0.76 | 29 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5CHM · CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with ceftazidime BATSI (LP06) · 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 Q9L387
- Elsewhere: RCSB PDB 5CHM · PDBe 5CHM · UniProt Q9L387
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