Structure of PDB 4a15 Chain A Binding Site BS02

Receptor Information
>4a15 Chain A (length=596) Species: 2303 (Thermoplasma acidophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RQYQVEAIDFLRSSLQKSYGVALESPTGSGKTIMALKSALQYSSERKLKV
LYLVRTNSQEEQVIKELRSLSSTMKIRAIPMQGRVNMCILYRMVDDLHEI
NAESLAKFCNMKKREVMAGNEAACPYFNFKIRSDETKRFLFDELPTAEEF
YDYGERNNVCPYESMKAALPDADIVIAPYAYFLNRSVAEKFLSHWGVSRN
QIVIILDEAHNLPDIGRSIGSFRISVESLNRADREAQAYGDPELSQKIHV
SDLIEMIRSALQSMVSERCGKGDVRIRFQEFMEYMRIMNKRSEREIRSLL
NYLYLFGEYVENEKEKVGKVPFSYCSSVASRIIAFSDQDEEKYAAILSPE
DGGYMQAACLDPSGILEVLKESKTIHMSGTLDPFDFYSDITGFEIPFKKI
GEIFPPENRYIAYYDGVDEKELDRMATVIEDIILKVKKNTIVYFPSYSLM
DRVENRVSFEHMKEYRGIDQKELYSMLKKFRRDHGTIFAVSGGRLNELEM
IILAGLPFPRPDAINRSLFDYYERKYGKGWEYSVVYPTAIKIRQEIGRLI
RSAEDTGACVILDKRAGQFRKFIPDMKKTSDPASDIYNFFISAQAR
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain4a15 Chain A Residue 1616 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4a15 Functional and Structural Studies of the Nucleotide Excision Repair Helicase Xpd Suggest a Polarity for DNA Translocation.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R88 C92 L94 C113 C128 C164
Binding residue
(residue number reindexed from 1)		R84 C88 L90 C109 C124 C160
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4a15, PDBe:4a15, PDBj:4a15
PDBsum4a15
PubMed22081108
UniProtQ9HM14|XPD_THEAC ATP-dependent DNA helicase XPD (Gene Name=Ta0057)

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