Structure of PDB 6hjw Chain B Binding Site BS01

Receptor Information
>6hjw Chain B (length=245) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVDRSEILTLDSIRQVLIRLEDSIIFGLLERAQFCYNADTYDSNAFHMDG
FGGSLVEYMVRETEKLHAQVGRYKSPDEHPFFPEDLPEPRLPPMQYPRVL
HPIADSININKEIWKMYFDELLPRLVKKGSDGNAGSSALCDTTCLQALSK
RIHYGKFVAEAKFQESPEAYMPAIIAQDRDQLMHLLTYETVERAIEHRVE
AKAKIFGQEYKIVPSLVAELYSYRIMPLTKEVQIAYLLKRLDHHH
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 chain6hjw 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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PDB6hjw A kiwellin disarms the metabolic activity of a secreted fungal virulence factor.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		V148 R150 M172
Binding residue
(residue number reindexed from 1)		V70 R72 M94
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R92 R229 K240 Y266 E270 T320 Q324
Catalytic site (residue number reindexed from 1) R14 R151 K162 Y188 E192 T229 Q233
Enzyme Commision number 5.4.99.5: chorismate mutase.
Gene Ontology
Molecular Function
GO:0004106 chorismate mutase activity
GO:0016853 isomerase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process
GO:0046417 chorismate metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0009507 chloroplast

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6hjw, PDBe:6hjw, PDBj:6hjw
PDBsum6hjw
PubMed30651637
UniProtB4FNK8|CM1_MAIZE Chorismate mutase 1, chloroplastic (Gene Name=CM1)

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