Structure of PDB 4c0z Chain J Binding Site BS01

Receptor Information
>4c0z Chain J (length=207) Species: 1314 (Streptococcus pyogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVPNKQSSVQDYPWYGYDSYSKGYPDYSPLKTYHNLKVNLDGSKEYQAYC
FNLTKHFPSKSDSVRSQWYKKLEGTNENFIKLADKPRIEDGQLQQNILRI
LYNGYPNDRNGIMKGIDPLNAILVTQNAIWYYTDSSYISDTSKAFQQEET
DLKLDSQQLQLMRNALKRLINPKEVESLPNQVPANYQLSIFQSSDKTFQN
LLSAEYV
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 I Residue 1221 [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)		L65 K67 F69 Q211
Binding residue
(residue number reindexed from 1)		L53 K55 F57 Q199
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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