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MolNFT v1 · #124087 · protein

M. thermoresistible impdh in complex with imp and compound 6

5K4Z · Inosine-5'-monophosphate DEHYDROGENASE,INOSINE-5'…: “M. thermoresistible impdh in complex with imp and compound 6”. X-ray diffraction, 2 ligands (IMP, 6Q8), 1 pocket (best druggability 0.73). MolNFT v1 #124087 on GenesisL1: 3D…

PDB
5K4Z
Type
protein
Length
332 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Inosine-5'-monophosphate DEHYDROGENASE,INOSINE-5'- monophosphate dehydrogenase
EC
1.1.1.205
UniProt
A0A100XBM0
Ligands
IMP, 6Q8
Pockets
1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInosine-5'-monophosphate DEHYDROGENASE,INOSINE-5'- monophosphate dehydrogenase (EC 1.1.1.205)protein33236% helix, 19% strandA0A100XBM0

Ligands and binding sites

  • IMP · Inosinic acid · ligand · chains A
  • 6Q8 · ~{N}-(4-fluorophenyl)-4-(2~{H}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13890.730.8441IMP, 6Q8

Compared structures

  • 5K4Z · M. thermoresistible IMPDH in complex with IMP and Compound 6 · the same entry in another collection · chain A against A, TM-score 1.00

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