Structure of PDB 2xm7 Chain A Binding Site BS01

Receptor Information
>2xm7 Chain A (length=307) Species: 149682 (Streptomyces roseochromogenus subsp. oscitans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QEFDCERFRADIRATAAAIGAPIAHRLTDTVLEAFRDNFAQGATLWKTTS
QPGDQLSYSFFSRLKMDTVSRAIDAGLLDAAHPTLAVVDAWSSLYGGAPV
QSGDFDAGRGMAKTWLYFGGLRPAEDILTVPALPASVQARLKDFLALGLA
HVRFAAVDWRHHSANVYFRGKGPLDTVQFARIHALSGSTPPAAHVVEEVL
AYMPEDYCVAITLDLHSGDIERVCFYALKVPKNALPRIPTRIARFLEVAP
SHDVEECNVIGWSFGRSGDYVKAERSYTGNMAEILAGWNCFFHGEEGRDH
DLRALHQ
Ligand information
Ligand ID34H
InChIInChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m1/s1
InChIKeyJVGVDSSUAVXRDY-MRVPVSSYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(O)Cc1ccc(O)cc1
OpenEye OEToolkits 1.6.1c1cc(ccc1C[C@H](C(=O)O)O)O
CACTVS 3.352O[C@H](Cc1ccc(O)cc1)C(O)=O
OpenEye OEToolkits 1.6.1c1cc(ccc1CC(C(=O)O)O)O
CACTVS 3.352O[CH](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H10 O4
Name(2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID
ChEMBL
DrugBank
ZINCZINC000000402938
PDB chain2xm7 Chain A Residue 1315 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2xm7 Structure and Mechanism of the Magnesium-Independent Aromatic Prenyltransferase Cloq from the Clorobiocin Biosynthetic Pathway.
Resolution2.22 Å
Binding residue
(original residue number in PDB)		F68 R160 C215 L235 E281 C297
Binding residue
(residue number reindexed from 1)		F61 R153 C208 L228 E274 C290
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.111: 4-hydroxyphenylpyruvate 3-dimethylallyltransferase.
Gene Ontology
Molecular Function
GO:0004659 prenyltransferase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
Biological Process
GO:0017000 antibiotic biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2xm7, PDBe:2xm7, PDBj:2xm7
PDBsum2xm7
PubMed20946900
UniProtQ8GHB2|CLOQ_STRRC 4-hydroxyphenylpyruvate 3-dimethylallyltransferase (Gene Name=cloQ)

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