MolNFT v1 · #26477 · protein
Crystal structure of pyrococcus horikoshii PHOSPHOMANNOMUTASE/PHOSPHOGLUCOMUTASE complexed with MG2+
1WQA · Phospho-sugar mutase: “Crystal structure of pyrococcus horikoshii PHOSPHOMANNOMUTASE/PHOSPHOGLUCOMUTASE complexed with MG2+”. X-ray diffraction, 1 ligand (MG), 15 pockets (best druggability 0.71). MolNFT v1 #26477 on GenesisL1: 3D…
- PDB
- 1WQA
- Type
- protein
- Length
- 1,820 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phospho-sugar mutase
- EC
- 5.4.2.8
- UniProt
- O58651
- Ligands
- MG
- Pockets
- 15 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Phospho-sugar mutase (EC 5.4.2.8) | protein | 455 | 40% helix, 22% strand | O58651 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 580 | 0.71 | 0.79 | 75 | empty |
| 2 | 557 | 0.70 | 0.79 | 77 | empty |
| 3 | 586 | 0.70 | 0.79 | 73 | empty |
| 4 | 544 | 0.68 | 0.78 | 65 | empty |
| 5 | 637 | 0.65 | 0.75 | 62 | empty |
Interfaces
3 interfaces between chains.
- A–D · 924 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 909 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 178 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1WQA · Crystal Structure of Pyrococcus horikoshii phosphomannomutase/phosphoglucomutase… · 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 O58651
- Elsewhere: RCSB PDB 1WQA · PDBe 1WQA · UniProt O58651
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