Research workbench
Structure of BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of tazobactam.
Analyse Structure of BlaC from Mycobacterium tuberculosis bound to the trans-enamine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6H2I
- Type
- protein
- Length
- 536 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.72
- Source
- Mycobacterium tuberculosis
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- A0A0T9EA39
- Ligands
- TBE
- Pockets
- 5 · best druggability 0.54
Structure
x-ray diffraction · resolution 2.72 · 2 distinct chains · 46% 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 | 45% helix, 16% strand | A0A0T9EA39 |
Ligands and binding sites
- TBE · Tazobactam intermediate · ligand · 2 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
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 | 367 | 0.54 | 0.74 | 43 | empty |
| 2 | 151 | 0.47 | 0.77 | 21 | empty |
| 3 | 118 | 0.37 | 0.74 | 20 | TBE, ACT |
| 4 | 107 | 0.37 | 0.75 | 27 | TBE, ACT |
| 5 | 56 | 0.32 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 290 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 6H2I · Structure of blac from mycobacterium tuberculosis bound to the trans- enamine adduct of… · 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 6H2I · PDBe 6H2I · UniProt A0A0T9EA39
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.