MolNFT v1 · #155010 · protein

The structure of EANB/Y353A complex with ergothioneine covalent linked with persulfide CYS412

6KU2: “The structure of EANB/Y353A complex with ergothioneine covalent linked with persulfide CYS412”. X-ray diffraction, 5 ligands (DV6, MG, ZN). MolNFT v1 #155010 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6KU2
Type: protein
Length: 854 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: B3ECE3
Ligands: DV6, MG, ZN, CL, BR

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	426	—	B3ECE3
E	—	protein	428	—	B3ECE3

Ligands and binding sites

DV6 · [(2S)-3-[(2S)-2-(disulfanyl)-2,3-dihydro-1H-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium · ligand · 2 copies · chains A, E
MG · Magnesium ion · metal · 2 copies · chains A, E
ZN · Zinc ion · metal · 2 copies · chains A, E
CL · Chloride ion · ion · 3 copies · chains A, E
BR · Bromide ion · ion · 2 copies · chains A, E
IMD · Imidazole · additive · 2 copies · chains A, E
EDO · 1,2-ethanediol · additive · 2 copies · chains E
GOL · Glycerol · additive · chains A
PEG · Di(hydroxyethyl)ether · additive · chains A

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

Compared structures

6KU2 · The structure of EanB/Y353A complex with ergothioneine covalent linked with persulfide… · the same entry in another collection · chain A against A, TM-score 1.00

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 B3ECE3
Elsewhere: RCSB PDB 6KU2 · PDBe 6KU2 · UniProt B3ECE3

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