Structure of PDB 4elr Chain B Binding Site BS01

Receptor Information
>4elr Chain B (length=310) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPTLTIYSGRGQSLVEPLVKQFEAETGIRVQVRYSTDAQILAALQEEGSR
SPADLFWANTAGALGQASAKGLLRPLGETLLEKPIAFVPASRTWVPVTVR
LRVLAYNPDRIKAEELPESLLDLPRFAREKGLVGRVGWTPTYSSFQDMVA
GMIALYGEEKTREWLLAMKALAPKAYPSNPAMLDAIRAGEVDLGSTNHYY
VVRFRRAGYRLGMHHFRDGDAGNLALVTGAGLLKTSKNLAAATRFLTYLL
SPQAQQYFVGNIGEYPLVKGVALDPNLLPLEEALAKSPKLDLEKLPLDRA
LRLLRETGVL
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 chain4elr 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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PDB4elr Crystal structure of ferric binding protein A
Resolution2.502 Å
Binding residue
(original residue number in PDB)		Y162 Y219 Y220
Binding residue
(residue number reindexed from 1)		Y142 Y199 Y200
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links