Structure of PDB 5h8c Chain A Binding Site BS01

Receptor Information
>5h8c Chain A (length=335) Species: 2285 (Sulfolobus acidocaldarius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QEKLKDKVIEGLRNNFLVALNAPTGSGKTLFSLLVSLEVKPKVLFVVRTH
NEFYPIYRDLTKIREKRNITFSFLVGKPSSCLYAEKGAESEDIPCKYCEL
KGSIVEVKTDDSPLSLVKKLKKDGLQDKFCPYYSLLNSLYKADVIALTYP
YFFIDRYREFIDIDLREYMIVIDEAHNLDKVNELEERSLSEITIQMAIKQ
SKSEESRRILSKLLNQLREVVLPDEKYIKVENVPKLSKEELEILADDYED
IRKDSLKQGKVNKIHIGSILRFFSLLFIPFSYSKRLVIKNPEISYYLNLL
NDNELSIILMSGTLPPREYMEKVWGIKRNMLYLDV
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 chain5h8c Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5h8c Mechanism of DNA loading by the DNA repair helicase XPD.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		C88 Y90 I100 C102 C105 K108 C137
Binding residue
(residue number reindexed from 1)		C81 Y83 I93 C95 C98 K101 C130
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:0043139 5'-3' DNA helicase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0140097 catalytic activity, acting on DNA
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006281 DNA repair
GO:0032508 DNA duplex unwinding
GO:0071103 DNA conformation change

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5h8c, PDBe:5h8c, PDBj:5h8c
PDBsum5h8c
PubMed26896802
UniProtQ4JC68|XPD_SULAC ATP-dependent DNA helicase XPD (Gene Name=xpd)

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