Structure of PDB 7an7 Chain A Binding Site BS01

Receptor Information
>7an7 Chain A (length=282) Species: 100226 (Streptomyces coelicolor A3(2)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSRTRPRVGHIQFLSCLPLYWGLARTGTLLDFELTKDTPEKLSEQLVRGD
LDIGPVTLVEFLKNADDLVAFPDIAVGCDGPVMSCVIVSQVPLDRLDGAR
VALGSTSRTSVRLAQLLLSERFGVQPDYYTCPPDLSLMMQEADAAVLIGD
AALRANMIDGPRYGLDVHDLGALWKEWTGLPFVFAVWAARRDYAEREPVI
TRKVHEAFLASRNLSLEEVEKVAEQAARWEAFDEDTLAKYFTTLDFRFGA
PQLEAVTEFARRVGPTTGFPADVKVELLKPLE
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 chain7an7 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7an7 Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis
Resolution1.81 Å
Binding residue
(original residue number in PDB)		S17 P41 T59 S86 C87 S109 T111 S112 I150 G151 F186
Binding residue
(residue number reindexed from 1)		S15 P39 T57 S84 C85 S107 T109 S110 I148 G149 F184
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:7an7, PDBe:7an7, PDBj:7an7
PDBsum7an7
PubMed
UniProtQ9L0T8|MQNA_STRCO Chorismate dehydratase (Gene Name=mqnA)

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