Structure of PDB 5h8w Chain A Binding Site BS02

Receptor Information
>5h8w 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]
QKSYGVALESPTGSGKTIMALKSALQYSSERKLKVLYLVRTNSQEEQVIK
ELRSLSSTMKIRAIPMQGRVNMCILYRMVDDLHEINAESLAKFCNMKKRE
VMAGNEAACPYFNFKIRSDETKRFLFDELPTAEEFYDYGERNNVCPYESM
KAALPDADIVIAPYAYFLNRSVAEKFLSHWGVSRNQIVIILDEAHNLPDI
GRSIGSFRISVESLNRADREAQAYGDPELSQKIHVSDLIEMIRSALQSMV
SERCGKGDVRIRFQEFMEYMRIMNKRSEREIRSLLNALYLFGEYVENEKE
KVGKVPFSYASSVASRIIAFSDQDEEKYAAILSPEDGGYMQAAALDPSGI
LEVLKESKTIHMSGTLDPFDFYSDITGFEIPFKKIGEIFPPENRYIAYYD
GVSSKYDTLDEKELDRMATVIEDIILKVKKNTIVYFPSYSLMDRVENRVS
FEHMKEYRGIDQKELYSMLKKFRRDHGTIFAVSGGRLSEGINFPGNELEM
IILAGLPFPRPDAINRSLFDYYCRKYGKGWEYSVVYPTAIKIRQEIGRLI
RSAEDTGAAVILDKRAGQFRKFIPDMKKTSDPASDIYNFFISAQAR
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 chain5h8w Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5h8w Mechanism of DNA loading by the DNA repair helicase XPD.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R88 C92 L94 C113 C128 C164
Binding residue
(residue number reindexed from 1)		R69 C73 L75 C94 C109 C145
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:5h8w, PDBe:5h8w, PDBj:5h8w
PDBsum5h8w
PubMed26896802
UniProtQ9HM14|XPD_THEAC ATP-dependent DNA helicase XPD (Gene Name=Ta0057)

[Back to BioLiP]