Structure of PDB 5lfa Chain A Binding Site BS03

Receptor Information
>5lfa Chain A (length=500) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQLVLILGDQLSPSIAALDGVDKKQDTIVLCEVMAEASYVGHHKKKIAFI
FSAMRHFAEELRGEGYRVRYTRIDDADNAGSFTGEVKRAIDDLTPSRICV
TEPGEWRVRSEMDGFAGAFGIQVDIRSDRRFLSSHGEFRNWAAGRKSLTM
EYFYREMRRKTGLLMNGEQPVGGRWNFDRPKHPVFAPDKITKEVIDTVER
LFPDNFGKLENFGFAVTRTDAERALSAFIDDFLCNFGATQDAMLQDDPNL
NHSLLSFYINCGLLDALDVCKAAERAYHEGGAPLNAVEGFIRQIIGWREY
MRGIYWLAGPDYVDSNFFENDRSLPVFYWTGKTHMNCMAKVITETIENAY
AHHIQRLMITGNFALLAGIDPKAVHRWYLEVYADAYEWVELPNVIGMSQF
ADGGFLGTKPFAASGNYINRMSDYCDTCRYDPKERLGDNACPFNALYWDF
LARNREKLKSNHRLAQPYATWARMSEDVRHDLRAKAAAFLRKLDAAALEH
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 chain5lfa Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5lfa Crystal Structures of Bacterial (6-4) Photolyase Mutants with Impaired DNA Repair Activity.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C350 I431 C438 C441 Y443 C454 F456
Binding residue
(residue number reindexed from 1)		C337 I418 C425 C428 Y430 C441 F443
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:5lfa, PDBe:5lfa, PDBj:5lfa
PDBsum5lfa
PubMed27992645
UniProtA9CH39|PHRB_AGRFC (6-4) photolyase (Gene Name=phrB)

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