MolNFT v1 · #36547 · protein
Crystal structure of bisphosphoglycerate mutase in complex with 3-phosphoglycerate and ALF4-
2F90: “Crystal structure of bisphosphoglycerate mutase in complex with 3-phosphoglycerate and ALF4-”. X-ray diffraction, 2 ligands (ALF, 3PG), 7 pockets (best druggability 0.70). MolNFT v1 #36547 on GenesisL1: 3D structure, binding sites…
- PDB
- 2F90
- Type
- protein
- Length
- 507 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bisphosphoglycerate mutase
- EC
- 5.4.2.4, 5.4.2.1, 3.1.3.13
- UniProt
- P07738
- Ligands
- ALF, 3PG
- Pockets
- 7 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bisphosphoglycerate mutase (EC 5.4.2.4, 5.4.2.1, 3.1.3.13) | protein | 254 | 47% helix, 12% strand | P07738 |
| B | Bisphosphoglycerate mutase (EC 5.4.2.4, 5.4.2.1, 3.1.3.13) | protein | 253 | 47% helix, 13% strand | P07738 |
Ligands and binding sites
- ALF · Tetrafluoroaluminate ion · ligand · 2 copies · chains A, B
- 3PG · 3-phosphoglyceric acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.70 | 0.98 | 21 | ALF, 3PG |
| 2 | 364 | 0.62 | 0.78 | 55 | empty |
| 3 | 144 | 0.53 | 0.80 | 18 | empty |
| 4 | 54 | 0.38 | 0.81 | 13 | empty |
| 5 | 76 | 0.36 | 0.76 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 975 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 2F90 · Crystal structure of bisphosphoglycerate mutase in complex with 3-phosphoglycerate and… · the same entry in another collection · chain A against A, TM-score 1.00
- P07738 · AlphaFold monomer V2.0 prediction for bisphosphoglycerate mutase (P07738) · a predicted model of the same protein · 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 P07738
- Elsewhere: RCSB PDB 2F90 · PDBe 2F90 · UniProt P07738
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