Structure of PDB 6u60 Chain A Binding Site BS01

Receptor Information
>6u60 Chain A (length=365) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKKVVLIGTGLIGGSLALAIKKDHDVTITGYDIFQEQVERAKELHVVDEI
AVDLQHACEEAHLIVFASPVEETKKLLHKLASFHLREDVIVTDVGSTKGS
IMNEAEALFSKEISFIGGHPMAGSHKTGVESAKAHLFENAFYILTPMHHV
PNEHVEELKDWLKGTGSHFLVLNTEEHDYVTGIVSHFPHLIAAGLVKQVE
KHAGDNPLIHQLAAGGFKDITRIASSSPKMWSDIVKQNREHLMVLLKEWI
SEMEDLYDTVSSGDAGEIQNYFADAKEYRDSLPVRKRGAIPAYHDLYVDV
LDKVGALAHVTSILAREEISITNLQILEAREGLLGVLRISFQREEDRMKA
KLALGEEKYQTYETI
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 chain6u60 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6u60 Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N152 I334
Binding residue
(residue number reindexed from 1)		N139 I321
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:6u60, PDBe:6u60, PDBj:6u60
PDBsum6u60
PubMed31750992
UniProtQ81P63

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