MolNFT v1 · #49267 · protein
Crystal structure of a putative phosphoenolpyruvate phosphonomutase (NCGL1015, CGL1060) from corynebacterium glutamicum atcc 13032 at 1.80 a resolution
2QIW · Pep phosphonomutase: “Crystal structure of a putative phosphoenolpyruvate phosphonomutase (NCGL1015, CGL1060) from corynebacterium…”. X-ray diffraction, 3 ligands (UNL, SO4, CL), 3 pockets (best druggability 0.61). MolNFT v1 #49267…
- PDB
- 2QIW
- Type
- protein
- Length
- 510 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pep phosphonomutase
- EC
- 2.7.8.23
- UniProt
- Q8NRI8
- Ligands
- UNL, SO4, CL
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Pep phosphonomutase (EC 2.7.8.23) | protein | 255 | 50% helix, 16% strand | Q8NRI8 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- CL · Chloride ion · ion · chains B
- GOL · Glycerol · additive · 11 copies · chains A, B
- P6G · Hexaethylene glycol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 193 | 0.61 | 0.82 | 31 | empty |
| 2 | 158 | 0.56 | 0.81 | 36 | SO4, GOL |
| 3 | 158 | 0.53 | 0.80 | 39 | SO4, UNL, GOL |
Interfaces
1 interface between chains.
- A–B · 1501 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 2QIW · Crystal structure of a putative phosphoenolpyruvate phosphonomutase (ncgl1015, cgl1060)… · 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 Q8NRI8
- Elsewhere: RCSB PDB 2QIW · PDBe 2QIW · UniProt Q8NRI8
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