MolNFT v1 · #46896 · protein
E. COLI glmu- complex with udp-glcnac, desulpho-CoA and glcnac-1-PO4
2OI7 · Bifunctional protein glmu: “E. COLI glmu- complex with udp-glcnac, desulpho-CoA and glcnac-1-PO4”. X-ray diffraction, 6 ligands (GN1, DCA, UD1), 6 pockets (best druggability 0.77). MolNFT v1 #46896 on GenesisL1: 3D structure…
- PDB
- 2OI7
- Type
- protein
- Length
- 899 residues
- Chains
- 2
- 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
- P0ACC7
- Ligands
- GN1, DCA, UD1, CO, MG, SO4
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional protein glmu (EC 2.7.7.23, 2.3.1.157) | protein | 449 | 21% helix, 34% strand | P0ACC7 |
| B | Bifunctional protein glmu (EC 2.7.7.23, 2.3.1.157) | protein | 450 | 20% helix, 34% strand | P0ACC7 |
Ligands and binding sites
- GN1 · 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose · ligand · 2 copies · chains A, B
- DCA · Desulfo-coenzyme A · ligand · 2 copies · chains A, B
- UD1 · Uridine-diphosphate-N-acetylglucosamine · ligand · 2 copies · chains A, B
- CO · Cobalt (II) ion · metal · 3 copies · chains A, B
- MG · Magnesium ion · metal · chains B
- SO4 · Sulfate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 448 | 0.77 | 0.85 | 41 | MG, SO4, UD1 |
| 2 | 553 | 0.69 | 0.78 | 54 | UD1 |
| 3 | 118 | 0.42 | 0.77 | 18 | empty |
| 4 | 99 | 0.35 | 0.74 | 15 | empty |
| 5 | 51 | 0.31 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 114 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2OI7 · E. coli GlmU- Complex with UDP-GlcNAc, desulpho-CoA and GlcNAc-1-PO4 · the same entry in another collection · chain A against A, TM-score 1.00
- P0ACC7 · AlphaFold monomer V2.0 prediction for bifunctional protein glmu (P0ACC7) · 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 P0ACC7
- Elsewhere: RCSB PDB 2OI7 · PDBe 2OI7 · UniProt P0ACC7
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