Structure of PDB 4yb5 Chain E Binding Site BS01

Receptor Information
>4yb5 Chain E (length=290) Species: 195099 (Campylobacter jejuni RM1221) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRLRIAIQKSGRLSKESIELLSECGVKMHIHEQSLIAFSTNLPIDILRVR
DDDIPGLIFDGVVDLGIIGENVLEENELERQSLGENPSYKLLKKLDFGYC
RLSLALPQELKDFEGLRIATSYPQLLKRFMKENGINYKNCTLTGSVEVAP
RANLADAICDLVSSGATLQANNLKEVKVIYESRACLIQKENALSKEKQAL
VDKIMLRVAGVMQARESKYIMLHAPKEKLDKIQALLPGVERPTILPLAHD
EKNVALHMVSKENLFWETMEALKEEGASSILVLPIEKMLK
Ligand information
Ligand IDHIS
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
InChIKeyHNDVDQJCIGZPNO-YFKPBYRVSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c[nH+]1)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc1cnc[nH+]1
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N
FormulaC6 H10 N3 O2
NameHISTIDINE
ChEMBL
DrugBank
ZINC
PDB chain4yb5 Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yb5 Campylobacter jejuni adenosine triphosphate phosphoribosyltransferase is an active hexamer that is allosterically controlled by the twisting of a regulatory tail.
Resolution2.24 Å
Binding residue
(original residue number in PDB)		H232 S288 L290
Binding residue
(residue number reindexed from 1)		H223 S279 L281
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.71,Kd=19.3uM
Enzymatic activity
Enzyme Commision number 2.4.2.17: ATP phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003879 ATP phosphoribosyltransferase activity
GO:0005524 ATP binding
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0000105 L-histidine 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:4yb5, PDBe:4yb5, PDBj:4yb5
PDBsum4yb5
PubMed27191057
UniProtQ5HSJ4|HIS1_CAMJR ATP phosphoribosyltransferase (Gene Name=hisG)

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