Structure of PDB 6jyx Chain A Binding Site BS02
Receptor Information
>6jyx Chain A (length=292) Species:
170187
(Streptococcus pneumoniae TIGR4) [
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GWQFVQENGRTYYKKGDLKETYWRVIDGKYYYFDSLSGEMVVGWQYIPFP
SKGSTIGPYPNGIRLEGFPKSEWYYFDKNGVLQEFVGWKTLEIKTKDSVG
RKYGEKRKRYYTNYYFNQNHSLETGWLYDQSNWYYLAKTEINGENYLGGE
RRAGWINDDSTWYYLDPTTGIMQTGWQYLGNKWYYLRSSGAMATGWYQEG
TTWYYLDHPNGDMKTGWQNLGNKWYYLRSSGAMATGWYQDGSTWYYLNAG
NGDMKTGWFQVNGNWYYAYSSGALAVNTTVDGYSVNYNGEWV
Ligand information
Ligand ID
CHT
InChI
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKey
OEYIOHPDSNJKLS-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0
C[N+](C)(C)CCO
ACDLabs 10.04
OCC[N+](C)(C)C
Formula
C5 H14 N O
Name
CHOLINE ION
ChEMBL
CHEMBL920
DrugBank
DB00122
ZINC
ZINC000003079337
PDB chain
6jyx Chain A Residue 402 [
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Receptor-Ligand Complex Structure
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PDB
6jyx
Crystal structure of the choline-binding protein CbpJ from Streptococcus pneumoniae.
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
W235 N290
Binding residue
(residue number reindexed from 1)
W196 N251
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:6jyx
,
PDBe:6jyx
,
PDBj:6jyx
PDBsum
6jyx
PubMed
31104766
UniProt
A0A0H2UNH0
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