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MolNFT v1 · #46039 · protein

E. COLI pure H45Q mutant complexed with cair

2NSJ · Phosphoribosylaminoimidazole carboxylase catalytic subunit: “E. COLI pure H45Q mutant complexed with cair”. X-ray diffraction, 1 ligand (C2R), 1 pocket (best druggability 0.32). MolNFT v1 #46039 on GenesisL1: 3D structure, binding…

PDB
2NSJ
Type
protein
Length
162 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphoribosylaminoimidazole carboxylase catalytic subunit
EC
4.1.1.21
UniProt
P0AG18
Ligands
C2R
Pockets
1 · best druggability 0.32

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphoribosylaminoimidazole carboxylase catalytic subunit (EC 4.1.1.21)protein16247% helix, 15% strandP0AG18

Ligands and binding sites

  • C2R · 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1510.320.7814C2R

Compared structures

  • 2NSJ · E. coli PurE H45Q mutant complexed with CAIR · the same entry in another collection · chain A against A, TM-score 1.00
  • P0AG18 · AlphaFold monomer V2.0 prediction for N5-carboxyaminoimidazole ribonucleotide mutase… · a predicted model of the same protein · chain A against A, TM-score 1.00

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