Structure of PDB 3wae Chain B Binding Site BS01

Receptor Information

>3wae Chain B (length=308) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TLTIYSGRGQSLVEPLVKQFEAETGIRVQVRYSTDAQILAALQEEGSRSP
ADLFWANTAGALGQASAKGLLRPLGETLLEKPIAFVPASRTWVPVTVRLR
VLAYNPDRIKAEELPESLLDLPRFAREKGLVGRVGWTPTYSSFQDMVAGM
IALYGEEKTREWLLAMKALAPKAYPSNPAMLDAIRAGEVDLGSTNHYYVV
RFRRAGYRLGMHHFRDGDAGNLALVTGAGLLKTSKNLAAATRFLTYLLSP
QAQQYFVGNIGEYPLVKGVALDPNLLPLEEALAKSPKLDLEKLPLDRALR
LLRETGVL

Ligand information

Ligand ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

3wae 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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Structure summary

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PDB	3wae A novel mode of ferric ion coordination by the periplasmic ferric ion-binding subunit FbpA of an ABC-type iron transporter from Thermus thermophilus HB8.
Resolution	1.7 Å
Binding residue (original residue number in PDB)	Y162 Y219 Y220
Binding residue (residue number reindexed from 1)	Y140 Y197 Y198
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:3wae, PDBe:3wae, PDBj:3wae
PDBsum	3wae
PubMed	24419392
UniProt	Q5SHV2

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