Structure of PDB 4cnl Chain A Binding Site BS05

Receptor Information

>4cnl Chain A (length=182) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TTSGWVKQDGAWYYFDGNGNLVKNAWQGSYYLKADGKMAQSEWIYDSSYQ
AWYYLKSDGSYAKNAWQGAYYLKSNGKMAQGEWVYDSSYQAWYYLKSDGS
YARNAWQGNYYLKSDGKMAKGEWVYDATYQAWYYLTSDGSYAYSTWQGNY
YLKSDGKMAVNEWVDGGRYYVGADGVWKEVQA

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

PDB chain

4cnl Chain A Residue 1278 [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	4cnl Modular Architecture and Unique Teichoic Acid Recognition Features of Choline-Binding Protein L (Cbpl) Contributing to Pneumococcal Pathogenesis.
Resolution	1.7 Å
Binding residue (original residue number in PDB)	W197 Y220 Y232
Binding residue (residue number reindexed from 1)	W106 Y129 Y141
Annotation score	4

External links

PDB	RCSB:4cnl, PDBe:4cnl, PDBj:4cnl
PDBsum	4cnl
PubMed	27917891

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