MolNFT v1 · #150719 · protein
Structure of S70A blac from mycobacterium tuberculosis obtained from crystals produced in the absence of dtt
6H28 · Beta-lactamase: “Structure of S70A blac from mycobacterium tuberculosis obtained from crystals produced in the absence of dtt”. X-ray diffraction, 4 pockets (best druggability 0.48). MolNFT v1 #150719 on GenesisL1: 3D structure…
- PDB
- 6H28
- Type
- protein
- Length
- 541 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
- 4 · best druggability 0.48
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (EC 3.5.2.6) | protein | 271 | 45% helix, 17% strand | A0A0T9EA39 |
| B | Beta-lactamase (EC 3.5.2.6) | protein | 270 | 46% helix, 17% strand | A0A0T9EA39 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B
- 15P · Polyethylene glycol (N=34) · additive · chains A
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 266 | 0.48 | 0.73 | 39 | empty |
| 2 | 166 | 0.48 | 0.76 | 16 | empty |
| 3 | 146 | 0.43 | 0.75 | 21 | PEG |
| 4 | 140 | 0.40 | 0.74 | 22 | PEG |
Interfaces
1 interface between chains.
- A–B · 263 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6H28 · Structure of S70A BlaC from Mycobacterium tuberculosis obtained from crystals produced in… · 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 6H28 · PDBe 6H28 · UniProt A0A0T9EA39
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