Structure of PDB 2i4b Chain A Binding Site BS01

Receptor Information
>2i4b Chain A (length=401) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEMMPETANIKLGYIPIVEAAPLIIAQEKGFFAKYGMTGVEVSKQANWAS
ARDNVTIGSQGGGIDGGQWQMPMPHLITEGIITNGNKVPMYVLAQLITQG
NGIAVAPMHEGKGVNLDITKAADYIKGFNKTNGRKFKAAHTFPNVNQDFW
IRYWFAAGGVDPDTDIDLLAVPPAETVQGMRNGTMDAFSTGDPWPYRIVT
ENIGYMAGLTAQIWPYHPEEYLAIRADWVDKNPKATKALLKGIMEAQQWI
DDPKNRPEVVQIVSGRNYFNVPTTILESPFKGQYTMGDGQPAIDDFQKGP
LYWKDGIGNVSYPYKSHDLWFLTESIRWGFHKNAIPDLDTAQKIIDKVNR
EDLWREAATEAGFTADIPSSTSRGVETFFDGITFDPANPSAYLQSLAIKK
V
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 chain2i4b Chain A Residue 453 [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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PDB2i4b The Structure of a Cyanobacterial Bicarbonate Transport Protein, CmpA.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		I68 W99 Q121 T192 Q198 E271
Binding residue
(residue number reindexed from 1)		I17 W48 Q70 T141 Q147 E220
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2i4b, PDBe:2i4b, PDBj:2i4b
PDBsum2i4b
PubMed17121816
UniProtQ55460|CMPA_SYNY3 Bicarbonate-binding protein CmpA (Gene Name=cmpA)

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