MolNFT v1 · #129920 · protein
Crystal structure of blac from mycobacterium tuberculosis
5OYO · Beta-lactamase: “Crystal structure of blac from mycobacterium tuberculosis”. X-ray diffraction, 5 pockets (best druggability 0.55). MolNFT v1 #129920 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5OYO
- Type
- protein
- Length
- 536 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- A0A0T9EA39
- Pockets
- 5 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (EC 3.5.2.6) | protein | 269 | 46% helix, 16% strand | A0A0T9EA39 |
| B | Beta-lactamase (EC 3.5.2.6) | protein | 267 | 44% helix, 16% strand | A0A0T9EA39 |
Ligands and binding sites
- ACT · Acetate ion · additive · 7 copies · chains A, B
- PGE · Triethylene glycol · additive · 3 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 337 | 0.55 | 0.74 | 43 | ACT |
| 2 | 139 | 0.46 | 0.77 | 16 | ACT |
| 3 | 110 | 0.38 | 0.75 | 21 | ACT |
| 4 | 90 | 0.36 | 0.76 | 20 | ACT |
| 5 | 53 | 0.30 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 268 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5OYO · Crystal structure of BlaC from Mycobacterium 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 A0A0T9EA39
- Elsewhere: RCSB PDB 5OYO · PDBe 5OYO · UniProt A0A0T9EA39
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