MolNFT v1 · #144393 · protein
Crystal structure of atpgammas-bound bacterial GET3-like a and B in mycobacterium tuberculosis
6BS4 · Putative ATPase RV3679: “Crystal structure of atpgammas-bound bacterial GET3-like a and B in mycobacterium tuberculosis”. X-ray diffraction, 3 ligands (AGS, ADP, MG), 5 pockets (best druggability 0.82). MolNFT v1 #144393 on…
- PDB
- 6BS4
- Type
- protein
- Length
- 685 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative ATPase RV3679; Anion transporter
- UniProt
- P9WKX5, A0A089QYG8
- Ligands
- AGS, ADP, MG
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative ATPase RV3679 | protein | 330 | 50% helix, 16% strand | P9WKX5 |
| B | Anion transporter | protein | 355 | 55% helix, 14% strand | A0A089QYG8 |
Ligands and binding sites
- AGS · Phosphothiophosphoric acid-adenylate ester · ligand · chains A, B
- ADP · Adenosine-5'-diphosphate · ligand · chains B
- MG · Magnesium ion · metal · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 898 | 0.82 | 0.84 | 91 | AGS, MG, ADP |
| 2 | 291 | 0.65 | 0.81 | 40 | empty |
| 3 | 150 | 0.59 | 0.83 | 19 | empty |
| 4 | 65 | 0.45 | 0.82 | 15 | empty |
| 5 | 77 | 0.35 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2331 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6BS4 · Crystal structure of ATPgammaS-bound bacterial Get3-like A and B in Mycobacterium… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WKX5 · AlphaFold monomer V2.0 prediction for putative ATPase RV3679 (P9WKX5) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 P9WKX5
- Every structure of UniProt A0A089QYG8
- Elsewhere: RCSB PDB 6BS4 · PDBe 6BS4 · UniProt P9WKX5 · UniProt A0A089QYG8
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