Structure of PDB 2hek Chain B Binding Site BS03

Receptor Information
>2hek Chain B (length=369) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIKEFSDPLYGFVRVGEAGLRLIDSFPFQRLRYVKQLGLAYLVFPSAQHT
RFEHSLGVYHITERICESLKVKEKELVKLAGLLHDLGHPPFSHTTEVLLP
RERSHEDFTERVIKETEIYEILKQDYSHEDIERLVRITLGKPEDEEEKLL
SEIITGEFGSDRMDYLRRDAYFCGVSYGFFDYDRLISTLRVYENKVVVDE
SGLRALENFLISRYFMYVQVYFHKVVRILSIHLVEFLKKLISQEDFTDIN
NFLRLNDAFVISELFKRKAFREDFERIFQRKHFKTLLSTENYEKFSETKE
RLLEKFPQEKVRFDEVEKEVYGGNIYVLSSEGLKKAHELSPLIASLKPIK
LYRIYVDRQLWEKARSELK
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 chain2hek Chain B Residue 601 [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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PDB2hek Structure of O67745_AQUAE, a hypothetical protein from Aquifex aeolicus.
Resolution1.997 Å
Binding residue
(original residue number in PDB)		H54 D161
Binding residue
(residue number reindexed from 1)		H54 D161
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008832 dGTPase activity
GO:0046872 metal ion binding
Biological Process
GO:0006203 dGTP catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2hek, PDBe:2hek, PDBj:2hek
PDBsum2hek
PubMed17565173
UniProtO67745

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