MolNFT v1 · #84739 · protein
The 3-dimensional structure of apo-mpgp, the mannosyl-3-phosphoglycerate phosphatase from thermus thermophilus HB27 in its apo-form
3ZTW: “The 3-dimensional structure of apo-mpgp, the mannosyl-3-phosphoglycerate phosphatase from thermus…”. X-ray diffraction, 1 ligand (PO4), 5 pockets (best druggability 0.65). MolNFT v1 #84739 on GenesisL1: 3D structure, binding sites…
- PDB
- 3ZTW
- Type
- protein
- Length
- 499 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mannosyl-3-phosphoglycerate phosphatase
- EC
- 3.1.3.70
- UniProt
- Q72K29
- Ligands
- PO4
- Pockets
- 5 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mannosyl-3-phosphoglycerate phosphatase (EC 3.1.3.70) | protein | 252 | 43% helix, 19% strand | Q72K29 |
| B | Mannosyl-3-phosphoglycerate phosphatase (EC 3.1.3.70) | protein | 247 | 42% helix, 20% strand | Q72K29 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 457 | 0.65 | 0.78 | 53 | PO4 |
| 2 | 318 | 0.61 | 0.78 | 42 | PO4 |
| 3 | 142 | 0.55 | 0.81 | 31 | empty |
| 4 | 213 | 0.55 | 0.78 | 31 | empty |
| 5 | 103 | 0.40 | 0.76 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 799 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3ZTW · The 3-dimensional structure of apo-MpgP, the mannosyl-3- phosphoglycerate phosphatase… · 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 Q72K29
- Elsewhere: RCSB PDB 3ZTW · PDBe 3ZTW · UniProt Q72K29
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