Structure of PDB 3wae Chain B Binding Site BS02

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 IDBCT
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)(O)[O-]
CACTVS 3.341OC([O-])=O
ACDLabs 10.04[O-]C(=O)O
FormulaC H O3
NameBICARBONATE ION
ChEMBL
DrugBank
ZINC
PDB chain3wae Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3wae 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.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		N79 R120
Binding residue
(residue number reindexed from 1)		N57 R98
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links