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Human bisphosphoglycerate mutase complex with 3- phosphoglycerate with crystal growth 90 days

Analyse Human bisphosphoglycerate mutase complex with 3- phosphoglycerate with crystal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2H4X
Type
protein
Length
508 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
3PG
Pockets
7 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABisphosphoglycerate mutase (EC 5.4.2.4, 5.4.2.1, 3.1.3.13)protein25547% helix, 12% strandP07738
BBisphosphoglycerate mutase (EC 5.4.2.4, 5.4.2.1, 3.1.3.13)protein25347% helix, 12% strandP07738

Ligands and binding sites

  • 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, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11020.750.96253PG
21880.670.86453PG
33690.610.7754empty
41600.540.8018empty
5770.430.8112empty

Interfaces

1 interface between chains.

  • A–B · 960 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 2H4X · Human bisphosphoglycerate mutase complex with 3-phosphoglycerate with crystal growth 90… · 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

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