Structure of PDB 5uyy Chain C Binding Site BS01

Receptor Information
>5uyy Chain C (length=373) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESLEMRQMRKKVVLIGTGLIGGSLALAIKKDHDVTITGYDIFQEQVERAK
ELHVVDEIAVDLQHACEEAHLIVFASPVEETKKLLHKLASFHLREDVIVT
DVGSTKGSIMNEAEALFSKEISFIGGHPMAGSHKTGVESAKAHLFENAFY
ILTPMHHVPNEHVEELKDWLKGTGSHFLVLNTEEHDYVTGIVSHFPHLIA
AGLVKQVEKHAGDNPLIHQLAAGGFKDITRIASSSPKMWSDIVKQNREHL
MVLLKEWISEMEDLYDTVSSGDAGEIQNYFADAKEYRDSLPVRKRGAIPA
YHDLYVDVLDKVGALAHVTSILAREEISITNLQILEAREGLLGVLRISFQ
REEDRMKAKLALGEEKYQTYETI
Ligand information
Ligand IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain5uyy Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5uyy Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		V313 L314 D315 K316 A319 L320 E341 G348
Binding residue
(residue number reindexed from 1)		V308 L309 D310 K311 A314 L315 E336 G343
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.1.12: prephenate dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004665 prephenate dehydrogenase (NADP+) activity
GO:0008977 prephenate dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0070403 NAD+ binding
Biological Process
GO:0006571 tyrosine biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5uyy, PDBe:5uyy, PDBj:5uyy
PDBsum5uyy
PubMed31750992
UniProtQ81P63

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