Structure of PDB 5flj Chain D Binding Site BS01

Receptor Information
>5flj Chain D (length=183) Species: 375060 (Streptomyces sp. FLA) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEYATRHRARSFIPPEPGKPYFIEKGLGDRAHLFGDLITIYAGGEQTENT
FNFFTCEGPKGEVIPAHSHADTYEVFYITQGAVRLFVEDLEGEQHEKLLT
PGDFGFVPKNCVHAYRMERHHSQVVGVAAGPGGTFERFFESLGTPAEELG
LPVRPFVPEPEKFRTVPEQYDVRFRPDHQWHTG
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain5flj Chain D Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5flj Quercetin 2,4-Dioxygenase Activates Dioxygen in a Side-on O2 -Ni Complex.
Resolution1.818 Å
Binding residue
(original residue number in PDB)		H69 H71 E76 H115
Binding residue
(residue number reindexed from 1)		H67 H69 E74 H113
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H69 H71 E76 H115
Catalytic site (residue number reindexed from 1) H67 H69 E74 H113
Enzyme Commision number 1.13.11.24: quercetin 2,3-dioxygenase.
External links