Structure of PDB 7an8 Chain B Binding Site BS01

Receptor Information
>7an8 Chain B (length=283) Species: 100226 (Streptomyces coelicolor A3(2)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDNSRTRPRVGHIQFLNCLPLYWGLARTGTLLDFELTKDTPEKLSEQLVR
GDLDIGPVTLVEFLKNADDLVAFPDIAVGCDGPVMACVIVSQVPLDRLDG
ARVALGSTSRTSVRLAQLLLSERFGVQPDYYTCPPDLSLMMQEADAAVLI
GDAALRANMIDGPRYGLDVHDLGALWKEWTGLPFVFAVWAARRDYAEREP
VITRKVHEAFLASRNLSLEEVEKVAEQAARWEAFDEDTLAKYFTTLDFRF
GAPQLEAVTEFARRVGPTTGFPADVKVELLKPL
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 chain7an8 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7an8 Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis
Resolution2.01 Å
Binding residue
(original residue number in PDB)		N17 T59 A86 C87 S109 T111 S112 I150 G151 Y242
Binding residue
(residue number reindexed from 1)		N17 T59 A86 C87 S109 T111 S112 I150 G151 Y242
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7an8, PDBe:7an8, PDBj:7an8
PDBsum7an8
PubMed
UniProtQ9L0T8|MQNA_STRCO Chorismate dehydratase (Gene Name=mqnA)

[Back to BioLiP]