Structure of PDB 2pv7 Chain A Binding Site BS01

Receptor Information
>2pv7 Chain A (length=276) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFKTINSDIHKIVIVGGYGKLGGLFARYLRASGYPISILDREDWAVAESI
LANADVVIVSVPINLTLETIERLKPYLTENMLLADLTSVKREPLAKMLEV
HTGAVLGLHPMFGADIASMAKQVVVRCDGRFPERYEWLLEQIQIWGAKIY
QTNATEHDHNMTYIQALRHFSTFANGLHLSKQPINLANLLALSSPIYRLE
LAMIGRLFAQDAELYADIIMNLAVIETLKQTYDEALTFFENNDRQGFIDA
FHKVRDWFGDYSEQFLKESRQLLQQA
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 chain2pv7 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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PDB2pv7 The structure of Haemophilus influenzae prephenate dehydrogenase suggests unique features of bifunctional TyrA enzymes.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S179 H200 F203 Q256 R297 Q301 Y306
Binding residue
(residue number reindexed from 1)		S88 H109 F112 Q165 R206 Q210 Y215
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.1.12: prephenate dehydrogenase.
5.4.99.5: chorismate mutase.
Gene Ontology
Molecular Function
GO:0004665 prephenate dehydrogenase (NADP+) activity
GO:0008977 prephenate dehydrogenase (NAD+) activity
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:2pv7, PDBe:2pv7, PDBj:2pv7
PDBsum2pv7
PubMed20944228
UniProtP43902|TYRA_HAEIN T-protein (Gene Name=tyrA)

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