Structure of PDB 1hcx Chain A Binding Site BS01

Receptor Information
>1hcx Chain A (length=127) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSYPKDKFEKINGTWYYFDSSGYMLADRWRKHTDGNWYWFDNSGEMATGW
KKIADKWYYFNEEGAMKTGWVKYKDTWYYLDAKEGAMVSNAFIQSADGTG
WYYLKPDGTLADRPEFTVEPDGLITVK
Ligand information
Ligand IDTPT
InChIInChI=1S/C15H11N3.ClH.Pt/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;;/h1-11H;1H;/q;;+2/p-1
InChIKeyXTQMQLRZXBEQCS-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2C1=CC=[N]2C(=C1)C3=CC=CC4=[N]3[Pt+]2([N]5=C4C=CC=C5)Cl
CACTVS 3.370Cl[Pt+]|1|2|n3ccccc3c4cccc(n|14)c5ccccn|25
ACDLabs 12.01Cl[Pt+]35n1ccccc1c4cccc(c2ccccn23)n45
FormulaC15 H11 Cl N3 Pt
Name2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride
ChEMBL
DrugBankDB01912
ZINC
PDB chain1hcx Chain A Residue 1319 [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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PDB1hcx A Novel Solenoid Fold in the Cell Wall Anchoring Domain of the Pneumococcal Virulence Factor Lyta
Resolution2.6 Å
Binding residue
(original residue number in PDB)		W241 W248 Y264 Y269 M278 D298
Binding residue
(residue number reindexed from 1)		W50 W57 Y73 Y78 M87 D107
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.28: N-acetylmuramoyl-L-alanine amidase.
External links
PDB RCSB:1hcx, PDBe:1hcx, PDBj:1hcx
PDBsum1hcx
PubMed11694890
UniProtP06653|ALYS_STRPN Autolysin (Gene Name=lytA)

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