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MolNFT v1 · #151185 · protein

Hybrid dihydroorotase domain of human cad with E. COLI flexible loop in apo state

6HG1 · Cad PROTEIN,DIHYDROOROTASE,CAD protein: “Hybrid dihydroorotase domain of human cad with E. COLI flexible loop in apo state”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.57). MolNFT v1 #151185 on GenesisL1: 3D…

PDB
6HG1
Type
protein
Length
371 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cad PROTEIN,DIHYDROOROTASE,CAD protein
EC
6.3.5.5, 2.1.3.2, 3.5.2.3
UniProt
P27708, P05020
Ligands
ZN
Pockets
3 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACad PROTEIN,DIHYDROOROTASE,CAD protein (EC 6.3.5.5, 2.1.3.2, 3.5.2.3)protein37135% helix, 20% strandP27708, P05020

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A
  • FMT · Formic acid · additive · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11940.570.8128empty
2840.440.8018empty
3540.320.7717FMT

Modifications

Observed in the structure: 1 modified (carboxylation).

Compared structures

  • 6HG1 · Hybrid dihydroorotase domain of human CAD with E. coli flexible loop in apo state · the same entry in another collection · chain A against A, TM-score 1.00
  • P27708 · AlphaFold monomer V2.0 prediction for cad protein (P27708) · a predicted model of the same protein · chain A against A, TM-score 0.96
  • P05020 · AlphaFold monomer V2.0 prediction for dihydroorotase (P05020) · a predicted model of the same protein · chain A against A, TM-score 0.77

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