Structure of PDB 5hee Chain A Binding Site BS02

Receptor Information
>5hee Chain A (length=262) Species: 69014 (Thermococcus kodakarensis KOD1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLFGIGLMPHGNPALSPEDKETEKLAGVLKDIGKAFSDADSYVLISPHNV
RISDHLGVIMAQHLISWLGFEGVELPGEWETDRGLAEEVYNAWKGAEIPT
VDLHFASRSGRYSRWPLTWGELIPLQFLEKKPLVLLTPARRLSRETLIKA
GEVLGEVLEGSEKKIALIVSADHGHAHDENGPYGYRKESEEYDRLIMELI
NESRLEELPEIPDELIEKALPDSYWQMLIMLGAMHRVPVKLVESAYACPT
YFGMAGALWVRE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5hee Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5hee Crystal structure of the TK2203 protein from Thermococcus kodakarensis, a putative extradiol dioxygenase
Resolution1.41 Å
Binding residue
(original residue number in PDB)		E198 E202
Binding residue
(residue number reindexed from 1)		E198 E202
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008198 ferrous iron binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:5hee, PDBe:5hee, PDBj:5hee
PDBsum5hee
PubMed27303894
UniProtQ5JHM2

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