Structure of PDB 4c0z Chain C Binding Site BS01

Receptor Information
>4c0z Chain C (length=205) Species: 1314 (Streptococcus pyogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVPNKQSSVQDYPWYGYDSYSKGYPDYSPLKTYHNLKVNLDGSKEYQAYC
FNLTKHFPSKSDSVRSQWYKKLEGTNENFIKLADKPRIEDGQLQQNILRI
LYNGYPNDRNGIMKGIDPLNAILVTQNAIWYYTDSSYIDTKAFQQEETDL
KLDSQQLQLMRNALKRLINPKEVESLPNQVPANYQLSIFQSSDKTFQNLL
SAEYV
Ligand information
Ligand IDSPD
InChIInChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
InChIKeyATHGHQPFGPMSJY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCNCCCN)CN
ACDLabs 10.04NCCCNCCCCN
CACTVS 3.341NCCCCNCCCN
FormulaC7 H19 N3
NameSPERMIDINE;
N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE;
PA(34)
ChEMBLCHEMBL19612
DrugBankDB03566
ZINCZINC000001532612
PDB chain4c0z Chain C Residue 1223 [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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PDB4c0z Structural Model for the Covalent Adhesion of the Streptococcus Pyogenes Pilus Through a Thioester Bond.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N64 L65 K67 F69 Q211
Binding residue
(residue number reindexed from 1)		N52 L53 K55 F57 Q197
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4c0z, PDBe:4c0z, PDBj:4c0z
PDBsum4c0z
PubMed24220033
UniProtS5FV19|CPA_STRPY Pilus tip adhesin Cpa (Fragment) (Gene Name=cpa)

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