MolNFT v1 · #167959 · protein

Structure of khk in complex with compound 3

6W0W: “Structure of khk in complex with compound 3”. X-ray diffraction, 2 ligands (RZA, SO4). MolNFT v1 #167959 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6W0W
Type: protein
Length: 597 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P50053
Ligands: RZA, SO4

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	296	—	P50053
B	—	protein	301	—	P50053

Ligands and binding sites

RZA · 6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile · ligand · 2 copies · chains A, B
SO4 · Sulfate ion · ion · 4 copies · chains A, B

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

Compared structures

6W0W · Structure of KHK in complex with compound 3 · the same entry in another collection · chain A against A, TM-score 1.00
P50053 · AlphaFold monomer V2.0 prediction for ketohexokinase (P50053) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P50053
Elsewhere: RCSB PDB 6W0W · PDBe 6W0W · UniProt P50053

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