MolNFT v1 · #149918 · protein
Structure of mycobacterium tuberculosis glmu bound to glc-1P and ac- CoA
6GE9 · Bifunctional protein glmu: “Structure of mycobacterium tuberculosis glmu bound to glc-1P and ac- CoA”. X-ray diffraction, 3 ligands (G1P, ACO, MG), 3 pockets (best druggability 0.74). MolNFT v1 #149918 on GenesisL1: 3D structure…
- PDB
- 6GE9
- Type
- protein
- Length
- 475 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional protein glmu
- EC
- 2.7.7.23, 2.3.1.157
- UniProt
- A5U161
- Ligands
- G1P, ACO, MG
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional protein glmu (EC 2.7.7.23, 2.3.1.157) | protein | 475 | 25% helix, 31% strand | A5U161 |
Ligands and binding sites
- G1P · 1-O-phosphono-alpha-D-glucopyranose · ligand · chains A
- ACO · Acetyl coenzyme *A · ligand · chains A
- MG · Magnesium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 514 | 0.74 | 0.83 | 44 | PEG |
| 2 | 135 | 0.40 | 0.74 | 17 | empty |
| 3 | 59 | 0.31 | 0.75 | 17 | empty |
Compared structures
- 6GE9 · Structure of Mycobacterium tuberculosis GlmU bound to Glc-1P and Ac-CoA · the same entry in another collection · chain A against A, TM-score 1.00
- A5U161 · AlphaFold monomer V2.0 prediction for bifunctional protein glmu (A5U161) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 A5U161
- Elsewhere: RCSB PDB 6GE9 · PDBe 6GE9 · UniProt A5U161
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