MolNFT v1 · #54088 · protein
The complete reaction cycle of human phosphoglycerate kinase: the open ternary complex with 3PG and ADP
2XE7 · Phosphoglycerate kinase 1: “The complete reaction cycle of human phosphoglycerate kinase: the open ternary complex with 3PG and ADP”. X-ray diffraction, 2 ligands (3PG, ADP), 2 pockets (best druggability 0.63). MolNFT v1 #54088 on…
- PDB
- 2XE7
- Type
- protein
- Length
- 413 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoglycerate kinase 1
- EC
- 2.7.2.3
- UniProt
- P00558
- Ligands
- 3PG, ADP
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoglycerate kinase 1 (EC 2.7.2.3) | protein | 413 | 38% helix, 19% strand | P00558 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 390 | 0.63 | 0.78 | 67 | 3PG, ADP |
| 2 | 73 | 0.34 | 0.75 | 14 | empty |
Compared structures
- 2XE7 · The complete reaction cycle of human phosphoglycerate kinase: The open ternary complex… · the same entry in another collection · chain A against A, TM-score 1.00
- P00558 · AlphaFold monomer V2.0 prediction for phosphoglycerate kinase 1 (P00558) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P00558
- Elsewhere: RCSB PDB 2XE7 · PDBe 2XE7 · UniProt P00558
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