MolNFT v1 · #94867 · protein
Crystal structure of glycerol phosphate phosphatase RV1692 from mycobacterium tuberculosis in complex with magnesium
4I9G · Glycerol 3-phosphate phosphatase: “Crystal structure of glycerol phosphate phosphatase RV1692 from mycobacterium tuberculosis in complex with…”. X-ray diffraction, 1 ligand (MG), 2 pockets (best druggability 0.66). MolNFT v1 #94867…
- PDB
- 4I9G
- Type
- protein
- Length
- 655 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycerol 3-phosphate phosphatase
- UniProt
- O33194
- Ligands
- MG
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycerol 3-phosphate phosphatase | protein | 329 | 36% helix, 23% strand | O33194 |
| B | Glycerol 3-phosphate phosphatase | protein | 326 | 37% helix, 22% strand | O33194 |
Ligands and binding sites
- 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
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 349 | 0.66 | 0.80 | 39 | MG |
| 2 | 360 | 0.64 | 0.79 | 38 | MG |
Interfaces
1 interface between chains.
- A–B · 1142 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4I9G · Crystal structure of glycerol phosphate phosphatase Rv1692 from Mycobacterium… · the same entry in another collection · chain A against A, TM-score 1.00
- O33194 · AlphaFold monomer V2.0 prediction for D-glycerol 3-phosphate phosphatase (O33194) · a predicted model of the same protein · chain B 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 O33194
- Elsewhere: RCSB PDB 4I9G · PDBe 4I9G · UniProt O33194
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