Structure of PDB 3k9g Chain A Binding Site BS03
Receptor Information
>3k9g Chain A (length=226) Species:
224326
(Borreliella burgdorferi B31) [
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KPKIITIASIKGGVGKSTSAIILATLLSKNNKVLLIDMDTQASITSYFYE
KIEKLGINFTKFNIYEILKENVDIDSTIINVDNNLDLIPSYLTLHNFSED
KIEHKDFLLKTSLGTLYYKYDYIVIDTNPSLDVTLKNALLCSDYVIIPMT
AEKWAVESLDLFNFFVRKLNLFLPIFLIITRFKKNRTHKTLFEILKTKDR
FLGTISENKDYIKEYENILEIFLKKI
Ligand information
Ligand ID
IOD
InChI
InChI=1S/HI/h1H/p-1
InChIKey
XMBWDFGMSWQBCA-UHFFFAOYSA-M
SMILES
Software
SMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
[I-]
Formula
I
Name
IODIDE ION
ChEMBL
DrugBank
DB12754
ZINC
PDB chain
3k9g Chain A Residue 251 [
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Receptor-Ligand Complex Structure
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PDB
3k9g
SAD phasing using iodide ions in a high-throughput structural genomics environment.
Resolution
2.25 Å
Binding residue
(original residue number in PDB)
H108 D110
Binding residue
(residue number reindexed from 1)
H104 D106
Annotation score
3
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:3k9g
,
PDBe:3k9g
,
PDBj:3k9g
PDBsum
3k9g
PubMed
21359836
UniProt
O68233
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