Structure of PDB 2vsf Chain A Binding Site BS02

Receptor Information
>2vsf Chain A (length=588) Species: 2303 (Thermoplasma acidophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YGVALESPTGSGKTIMALKSALQYSSERKLKVLYLVRTNSQEEQVIKELR
SLSSTMKIRAIPMQGRVNMCILYRMVDDLHEINAESLAKFCNMKKREVMA
GNEAACPYFNFKIRSDETKRFLFDELPTAEEFYDYGERNNVCPYESMKAA
LPDADIVIAPYAYFLNRSVAEKFLSHWGVSRNQIVIILDEAHNLPDIGRS
IGSFRISVESLNRADREAQAYGDPELSQKIHVSDLIEMIRSALQSMVSER
CGKGDVRIRFQEFMEYMRIMNKRSEREIRSLLNYLYLFGEYVENEKEKVG
KVPFSYCSSVASRIIAFSDQDEEKYAAILSPEDGGYMQAACLDPSGILEV
LKESKTIHMSGTLDPFDFYSDITGFEIPFKKIGEIFPPENRYIAYYDGVS
SKYDTLDEKELDRMATVIEDIILKVKKNTIVYFPSYSLMDRVENRVSFEH
MKEYRGIDQKELYSMLKKFRRDHGTIFAVSGGRLSEGNELEMIILAGLPF
PRPDAINRSLFDYYERKYGKGWEYSVVYPTAIKIRQEIGRLIRSAEDTGA
CVILDKRAGQFRKFIPDMKKTSDPASDIYNFFISAQAR
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2vsf Chain A Residue 1617 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vsf Crystal Structure of the Fes Cluster-Containing Nucleotide Excision Repair Helicase Xpd.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		E312 E315
Binding residue
(residue number reindexed from 1)		E290 E293
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0003678 DNA helicase activity
GO:0004386 helicase activity
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016818 hydrolase activity, acting on acid anhydrides, in phosphorus-containing anhydrides
GO:0016853 isomerase activity
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006281 DNA repair
GO:0032508 DNA duplex unwinding

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Molecular Function
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Biological Process
External links
PDB RCSB:2vsf, PDBe:2vsf, PDBj:2vsf
PDBsum2vsf
PubMed18578568
UniProtQ9HM14|XPD_THEAC ATP-dependent DNA helicase XPD (Gene Name=Ta0057)

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