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MolNFT v1 · #33870 · protein

Crystal structure of mouse amf / phosphate complex

2CXN · Glucose-6-phosphate isomerase: “Crystal structure of mouse amf / phosphate complex”. X-ray diffraction, 1 ligand (PO4), 11 pockets (best druggability 0.76). MolNFT v1 #33870 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
2CXN
Type
protein
Length
1,114 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glucose-6-phosphate isomerase
EC
5.3.1.9
UniProt
P06745
Ligands
PO4
Pockets
11 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGlucose-6-phosphate isomerase (EC 5.3.1.9)protein55755% helix, 13% strandP06745

Ligands and binding sites

  • PO4 · Phosphate ion · ion · chains A
  • GOL · Glycerol · additive · 4 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19380.760.7962empty
25050.710.8154empty
33450.690.8350PO4
4780.450.8117empty
51130.430.7714GOL

Interfaces

1 interface between chains.

  • A–B · 6771 Ų buried · 94 hydrogen bonds · protein-protein

Compared structures

  • 2CXN · Crystal structure of mouse AMF / phosphate complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P06745 · AlphaFold monomer V2.0 prediction for glucose-6-phosphate isomerase (P06745) · a predicted model of the same protein · chain B against A, TM-score 1.00

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