Structure of PDB 4h2w Chain D Binding Site BS01

Receptor Information
>4h2w Chain D (length=75) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNATIREILAKFGQLPTPVDTIADEADLYAAGLSSFASVQLMLGIEEAFD
IEFPDNLLNRKSFASIKAIEDTVKL
Ligand information
Ligand IDPNS
InChIInChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1
InChIKeyJDMUPRLRUUMCTL-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS
ACDLabs 10.04O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
CACTVS 3.341CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS
FormulaC11 H23 N2 O7 P S
Name4'-PHOSPHOPANTETHEINE
ChEMBL
DrugBankDB03912
ZINC
PDB chain4h2w Chain D Residue 101 [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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PDB4h2w Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		S35 F36
Binding residue
(residue number reindexed from 1)		S35 F36
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding

View graph for
Molecular Function
External links
PDB RCSB:4h2w, PDBe:4h2w, PDBj:4h2w
PDBsum4h2w
PubMed23541895
UniProtA9CHM9|AACP_AGRFC Aminoacyl carrier protein (Gene Name=Atu2571)

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