Structure of PDB 5kcm Chain B Binding Site BS02

Receptor Information
>5kcm Chain B (length=512) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQLVLILGDQLSPSIAALDGVDKKQDTIVLCEVMAEASYVGHHKKKIAFW
FSAMRHFAEELRGEGYRVRYTRIDDADNAGSFTGEVKRAIDDLTPSRICV
TEPGEWRVRSEMDGFAGAFGIQVDIRSDRRFLSSHGEFRNWAAGRKSLTM
EYFYREMRRKTGLLMNGEQPVGGRWNFDAENRQPARPDLLRPKHPVFAPD
KITKEVIDTVERLFPDNFGKLENFGFAVTRTDAERALSAFIDDFLCNFGA
TQDAMLQDDPNLNHSLLSFYINCGLLDALDVCKAAERAYHEGGAPLNAVE
GFIRQIIGWREYMRGIYWLAGPDYVDSNFFENDRSLPVFYWTGKTHMNCM
AKVITETIENAYAHHIQRLMITGNFALLAGIDPKAVHRWYLEVYADAYEW
VELPNVIGMSQFADGGFLGTKPYAASGNYINRMSDYCDTCRYDPKERLGD
NACPFNALYWDFLARNREKLKSNHRLAQPYATWARMSEDVRHDLRAKAAA
FLRKLDAAALEH
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 chain5kcm Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5kcm Crystal Structures of Bacterial (6-4) Photolyase Mutants with Impaired DNA Repair Activity.
Resolution2.149 Å
Binding residue
(original residue number in PDB)		M348 C350 I431 C438 C441 C454 F456
Binding residue
(residue number reindexed from 1)		M347 C349 I430 C437 C440 C453 F455
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.99.13: (6-4)DNA photolyase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003677 DNA binding
GO:0003914 DNA (6-4) photolyase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0071949 FAD binding
Biological Process
GO:0000719 photoreactive repair
GO:0006281 DNA repair

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Molecular Function
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Biological Process
External links
PDB RCSB:5kcm, PDBe:5kcm, PDBj:5kcm
PDBsum5kcm
PubMed27992645
UniProtA9CH39|PHRB_AGRFC (6-4) photolyase (Gene Name=phrB)

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