Structure of PDB 7me3 Chain B Binding Site BS01

Receptor Information
>7me3 Chain B (length=273) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAKKFKVVTTFTIIQDIAQNIAGDVAVVESITKPGAEIHDYQPTPRDIVK
AQSADLILWNGMNLERWFEKFFESIKDVPSAVVTAGITPLPIREGPYSGI
ANPHAWMSPSNALIYIENIRKALVEHDPAHAETYNRNAQAYAEKIKALDA
PLRERLSRIPAEQRWLVTSEGAFSYLAKDYGFKEVYLWPINAEQQGIPQQ
VRHVIDIIRENKIPVVFSESTISDKPAKQVSKETGAQYGGVLYVDSLSGE
KGPVPTYISLINMTVDTIAKGFG
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain7me3 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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PDB7me3 Site 2 of the Yersinia pestis substrate-binding protein YfeA is a dynamic surface metal-binding site
Resolution2.25 Å
Binding residue
(original residue number in PDB)		H76 H141 E207 D282
Binding residue
(residue number reindexed from 1)		H39 H104 E170 D245
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0007155 cell adhesion
GO:0030001 metal ion transport

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Molecular Function
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Biological Process
External links
PDB RCSB:7me3, PDBe:7me3, PDBj:7me3
PDBsum7me3
PubMed
UniProtQ56952|YFEA_YERPE Iron-binding protein YfeA (Gene Name=yfeA)

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