Structure of PDB 2qq4 Chain I Binding Site BS01

Receptor Information
>2qq4 Chain I (length=134) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DELYREILLDHYQSPRNFGVLPQATKQAGGMNPSCGDQVEVMVLLEGDTI
ADIRFQGQGCAISTASASLMTEAVKGKKVAEALELSRKFQAMVVEGAPPD
PTLGDLLALQGVAKLPARVKCATLAWHALEEALR
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 chain2qq4 Chain I Residue 139 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qq4 Crystal structure of Iron-sulfur cluster biosynthesis protein IscU (TTHA1736) from thermus thermophilus HB8
Resolution1.85 Å
Binding residue
(original residue number in PDB)		C39 D41 C64 C125
Binding residue
(residue number reindexed from 1)		C35 D37 C60 C121
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0008198 ferrous iron binding
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0006879 intracellular iron ion homeostasis
GO:0016226 iron-sulfur cluster assembly
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:2qq4, PDBe:2qq4, PDBj:2qq4
PDBsum2qq4
PubMed
UniProtQ5SHJ4

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