MolNFT v1 · #84330 · protein
X-ray structure of the full-length beta-lactamase from M. tuberculosis
3ZHH: “X-ray structure of the full-length beta-lactamase from M. tuberculosis”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.68). MolNFT v1 #84330 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3ZHH
- Type
- protein
- Length
- 1,064 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- P0C5C1
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Beta-lactamase (EC 3.5.2.6) | protein | 266 | 45% helix, 16% strand | P0C5C1 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 17 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 730 | 0.68 | 0.76 | 72 | SO4 |
| 2 | 127 | 0.60 | 0.86 | 28 | SO4 |
| 3 | 284 | 0.53 | 0.75 | 53 | empty |
| 4 | 166 | 0.51 | 0.78 | 31 | empty |
| 5 | 94 | 0.36 | 0.75 | 21 | SO4 |
Interfaces
3 interfaces between chains.
- A–B · 898 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 674 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 620 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3ZHH · X-ray structure of the full-length beta-lactamase from M.tuberculosis · 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 P0C5C1
- Elsewhere: RCSB PDB 3ZHH · PDBe 3ZHH · UniProt P0C5C1
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