Structure of PDB 7an9 Chain B Binding Site BS01

Receptor Information
>7an9 Chain B (length=278) Species: 100226 (Streptomyces coelicolor A3(2)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRPRVGHIQFLNCLPLYWGLARTGTLLDFELTKDTPEKLSEQLVRGDLDI
GPVTLVEFLKNADDLVAFPDIAVGCDGPVMSCVIVSQVPLDRLDGARVAL
GSTSRTSVRLAQLLLSERFGVQPDYYTCPPDLSLMMQEADAAVLIGDAAL
RANMIDGPRYGLDVHDLGALWKEWTGLPFVFAVWAARRDYAEREPVITRK
VHEAFLASRNLSLEEVEKVAEQAARWEAFDEDTLAKFFTTLDFRFGAPQL
EAVTEFARRVGPTTGFPADVKVELLKPL
Ligand information
Ligand IDRDH
InChIInChI=1S/C10H8O5/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14)
InChIKeyHGVAHYJMDVROLE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C=C(C(=O)O)Oc1cccc(c1)C(=O)O
CACTVS 3.385OC(=O)C(=C)Oc1cccc(c1)C(O)=O
FormulaC10 H8 O5
Name3-[(1-Carboxyvinyl)oxy]benzoic acid;
3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid
ChEMBL
DrugBank
ZINCZINC000013435098
PDB chain7an9 Chain B Residue 301 [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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PDB7an9 Mechanism of the chorismate dehydratase MqnA, first enzyme of the futalosine pathway
Resolution2.11 Å
Binding residue
(original residue number in PDB)		N17 P41 T59 S86 C87 S109 T111 S112 I150 G151 F186
Binding residue
(residue number reindexed from 1)		N12 P36 T54 S81 C82 S104 T106 S107 I145 G146 F181
Annotation score5
Enzymatic activity
Enzyme Commision number 4.2.1.151: chorismate dehydratase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016836 hydro-lyase activity
Biological Process
GO:0009234 menaquinone biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7an9, PDBe:7an9, PDBj:7an9
PDBsum7an9
PubMed
UniProtQ9L0T8|MQNA_STRCO Chorismate dehydratase (Gene Name=mqnA)

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