MolNFT v1 · #39788 · protein
Complex of glucose-1,6-bisphosphate with phosphomannomutase from leishmania mexicana
2I55: “Complex of glucose-1,6-bisphosphate with phosphomannomutase from leishmania mexicana”. X-ray diffraction, 3 ligands (B16, MG, CL), 4 pockets (best druggability 0.75). MolNFT v1 #39788 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2I55
- Type
- protein
- Length
- 726 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphomannomutase
- EC
- 5.4.2.8
- UniProt
- Q95ZD7
- Ligands
- B16, MG, CL
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Phosphomannomutase (EC 5.4.2.8) | protein | 242 | 44% helix, 21% strand | Q95ZD7 |
Ligands and binding sites
- B16 · 1,6-di-O-phosphono-beta-D-glucopyranose · ligand · 2 copies · chains B, C
- MG · Magnesium ion · metal · 5 copies · chains A, B, C
- CL · Chloride ion · ion · 2 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1018 | 0.75 | 0.78 | 106 | B16, MG |
| 2 | 592 | 0.68 | 0.77 | 51 | empty |
| 3 | 289 | 0.50 | 0.74 | 35 | empty |
| 4 | 85 | 0.37 | 0.76 | 18 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1090 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 407 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 39 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2I55 · Complex of glucose-1,6-bisphosphate with phosphomannomutase from Leishmania mexicana · 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 Q95ZD7
- Elsewhere: RCSB PDB 2I55 · PDBe 2I55 · UniProt Q95ZD7
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