Structure of PDB 4fwi Chain B Binding Site BS01

Receptor Information
>4fwi Chain B (length=310) Species: 273068 (Caldanaerobacter subterraneus subsp. tengcongensis MB4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIIIRVEDLRAVYLVREGTIKAADGISLDILENSVTAIVGESASGKSTII
EAMTKTLPPNGRILSGRVLYKGKDLLTMREEELRKIRWKEIALVPQAAQQ
SLNPTMKVIEHFKDTVEAHGVRWSHSELIEKASEKLRMVRLNPEAVLNSY
PLQLSGGMKQRVLIALALLLDPVVLILDEPTSALDVLTQAHIIQLLKELK
KMLKITLIFVTHDIAVAAELADKVAVIYGGNLVEYNSTFQIFKNPLHPYT
RGLINSIMPIPGDPPSLLNPPSGCRFHPRCEYAMEICKKEKPKWIRLDGE
AHVACHLYEE
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 chain4fwi Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4fwi Structure of the nucleotide-binding domain of a dipeptide ABC transporter reveals a novel iron-sulfur cluster-binding domain
Resolution2.892 Å
Binding residue
(original residue number in PDB)		H248 P249 C285 H288 C291 Y293 C298 C316 H317
Binding residue
(residue number reindexed from 1)		H247 P248 C274 H277 C280 Y282 C287 C305 H306
Annotation score1
Enzymatic activity
Enzyme Commision number 7.4.2.9: ABC-type dipeptide transporter.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015031 protein transport
GO:0015833 peptide transport
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4fwi, PDBe:4fwi, PDBj:4fwi
PDBsum4fwi
PubMed23385461
UniProtQ8RDH4|DPPD_CALS4 Dipeptide transport ATP-binding protein DppD (Gene Name=dppD)

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