Structure of PDB 6jnh Chain A Binding Site BS01

Receptor Information
>6jnh Chain A (length=163) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSKTRVIYPGTFDPITNGHVDLVTRASRMFDEVVVAIAIGHHKNPLFSLE
ERVALAQSSLGHLSNVEFVGFDGLLVNFFKEQKATAVLRGLRAVSDFEYE
FQLANMNRQLDPHFEAVFLTPSEQYSFISSTLIREIARLKGDVTKFVPQA
VVEAFERKHQQGW
Ligand information
Ligand IDASC
InChIInChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
InChIKeyCIWBSHSKHKDKBQ-JLAZNSOCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH]1OC(=O)C(=C1O)O
OpenEye OEToolkits 1.5.0C(C(C1C(=C(C(=O)O1)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
CACTVS 3.341OC[C@H](O)[C@H]1OC(=O)C(=C1O)O
ACDLabs 10.04O=C1OC(C(O)=C1O)C(O)CO
FormulaC6 H8 O6
NameASCORBIC ACID;
Vitamin C
ChEMBLCHEMBL196
DrugBankDB00126
ZINCZINC000100006770
PDB chain6jnh Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jnh Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Ascorbic acid (Vitamin-C) at 2.0A resolution
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G10 T11 F12 H19 S130
Binding residue
(residue number reindexed from 1)		G10 T11 F12 H19 S130
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H19 K43 R92 S130
Catalytic site (residue number reindexed from 1) H19 K43 R92 S130
Enzyme Commision number 2.7.7.3: pantetheine-phosphate adenylyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004595 pantetheine-phosphate adenylyltransferase activity
GO:0005524 ATP binding
GO:0016779 nucleotidyltransferase activity
Biological Process
GO:0009058 biosynthetic process
GO:0015937 coenzyme A biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6jnh, PDBe:6jnh, PDBj:6jnh
PDBsum6jnh
PubMed
UniProtA0A059ZFC5

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