Structure of PDB 4iwt Chain B Binding Site BS04

Receptor Information

>4iwt Chain B (length=146) Species: 1105119 (Streptococcus pneumoniae GA60080) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SAATGWQKNGTGYWYVHSDGSYPKDKFEKINGTWYYFDGSGYMLSDRWKK
HTDGNWYYFDQSGEMATGWKKIADKWYYFDVEGAMKTGWVKYKDTWYYLD
AKEGAMVSNAFIQSADGTGWYYLKPDGTLADKPEFTVEPDGLITVK

Ligand information

InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1

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

ZINC000003079337

PDB chain

4iwt Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	4iwt Structural and functional insights into peptidoglycan access for the lytic amidase LytA of Streptococcus pneumoniae.
Resolution	2.6 Å
Binding residue (original residue number in PDB)	F199 W206 M237 E254
Binding residue (residue number reindexed from 1)	F27 W34 M65 E82
Annotation score	4

External links

PDB	RCSB:4iwt, PDBe:4iwt, PDBj:4iwt
PDBsum	4iwt
PubMed	24520066

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