Research workbench
Human bisphosphoglycerate mutase complexed with 2,3- bisphosphoglycerate (15 days)
Analyse Human bisphosphoglycerate mutase complexed with 2,3- bisphosphoglycerate (15… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2HHJ
- Type
- protein
- Length
- 509 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
- DG2, 3PG, HAI
- Pockets
- 6 · best druggability 0.61
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 | 255 | 46% helix, 12% strand | P07738 |
| B | Bisphosphoglycerate mutase (EC 5.4.2.4, 5.4.2.1, 3.1.3.13) | protein | 254 | 47% helix, 13% strand | P07738 |
Ligands and binding sites
- DG2 · (2R)-2,3-diphosphoglyceric acid · ligand · 2 copies · chains A, B
- 3PG · 3-phosphoglyceric acid · ligand · 2 copies · chains A, B
- HAI · Cyclohexylammonium ion · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 350 | 0.61 | 0.77 | 54 | empty |
| 2 | 158 | 0.53 | 0.79 | 18 | empty |
| 3 | 70 | 0.42 | 0.81 | 13 | empty |
| 4 | 103 | 0.41 | 0.77 | 23 | empty |
| 5 | 54 | 0.39 | 0.81 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 964 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent, 2 modified (covalent ligand, phosphorylation).
Compared structures
- 2HHJ · Human bisphosphoglycerate mutase complexed with 2,3-bisphosphoglycerate (15 days) · 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 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 P07738
- Elsewhere: RCSB PDB 2HHJ · PDBe 2HHJ · UniProt P07738
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.