Structure of PDB 4ppv Chain A Binding Site BS01

Receptor Information

>4ppv Chain A (length=246) Species: 3702 (Arabidopsis thaliana)

RVDESESLTLEGIRNSLIRQEDSIIFGLLERAKYCYNADTYDPTAFDMDG
FNGSLVEYMVKGTEKLHAKVGRFKSPDEHPFFPDDLPEPMLPPLQYPKVL
HFAADSININKKIWNMYFRDLVPRLVKKGDDGNYGSTAVCDAICLQCLSK
RIHYGKFVAEAKFQASPEAYESAIKAQDKDALMDMLTFPTVEDAIKKRVE
MKTRTYGQEVKVVYKISPILVGDLYGDWIMPLTKEVQVEYLLRRLD

Ligand information

• Ligand ID: PHE
• InChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
• InChIKey: COLNVLDHVKWLRT-QMMMGPOBSA-N
• SMILES:
  CACTVS 3.341: N[CH](Cc1ccccc1)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1ccccc1)C(O)=O
  OpenEye OEToolkits 1.5.0: c1ccc(cc1)CC(C(=O)O)N
  OpenEye OEToolkits 1.5.0: c1ccc(cc1)C[C@@H](C(=O)O)N
  ACDLabs 10.04: O=C(O)C(N)Cc1ccccc1
• Formula: C9 H11 N O2
• Name: PHENYLALANINE
• ChEMBL: CHEMBL301523
• DrugBank: DB00120
• ZINC: ZINC000000105196
• PDB chain: 4ppv Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ppv Structural evolution of differential amino Acid effector regulation in plant chorismate mutases.
• Resolution: 2.45 Å
• Binding residue (original residue number in PDB): R79 V148 R150 Y174
• Binding residue (residue number reindexed from 1): R1 V70 R72 Y96
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R92 R229 K240 F266 E270 T327 Q331
• Catalytic site (residue number reindexed from 1): R14 R151 K162 F188 E192 T233 Q237
• Enzyme Commision number: 5.4.99.5: chorismate mutase.

Gene Ontology

Molecular Function

• GO:0004106 chorismate mutase activity

Biological Process

• GO:0009073 aromatic amino acid family biosynthetic process
• GO:0046417 chorismate metabolic process

External links

• PDB: RCSB:4ppv, PDBe:4ppv, PDBj:4ppv
• PDBsum: 4ppv
• PubMed: 25160622
• UniProt: P42738|CM1_ARATH Chorismate mutase 1, chloroplastic (Gene Name=CM1)