Structure of PDB 3tmq Chain C Binding Site BS01

Receptor Information
>3tmq Chain C (length=281) Species: 320372 (Burkholderia pseudomallei 1710b) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMNVAISPGVTAGNSLPFVLFGGINVLESLDFTLDVCGEYVAVTRKLGIP
FVFKASFDKANRSSIHSYRGVGLDEGLKIFAEVKARFGVPVITDVHEAEQ
AAPVAEIADVLQVPAFLARQTDLVVAIAKAGKPVNVKKPQFMSPTQLKHV
VSKCGEVGNDRVMLCERGSSFGYDNLVVDMLGFRQMAETTGGCPVIFDVT
HSLQCRDPLGDASGGRRRQVLDLARAGIAVGIAGLFLEAHPDPDRARCDG
PSALPLHQLEGLLSQMKAIDDLVKRMPALEI
Ligand information
Ligand IDA5P
InChIInChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1
InChIKeyVJDOAZKNBQCAGE-WDCZJNDASA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(COP(=O)(O)O)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)CO
OpenEye OEToolkits 1.5.0C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O
FormulaC5 H13 O8 P
NameARABINOSE-5-PHOSPHATE
ChEMBL
DrugBankDB03745
ZINCZINC000003871578
PDB chain3tmq Chain C Residue 282 [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]
PDB3tmq Combining functional and structural genomics to sample the essential Burkholderia structome.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K58 N60 R61 S62 H200 R205 A211 S212 C247 D248
Binding residue
(residue number reindexed from 1)		K59 N61 R62 S63 H201 R206 A212 S213 C248 D249
Annotation score2
Enzymatic activity
Enzyme Commision number 2.5.1.55: 3-deoxy-8-phosphooctulonate synthase.
Gene Ontology
Molecular Function
GO:0008676 3-deoxy-8-phosphooctulonate synthase activity
GO:0016740 transferase activity
Biological Process
GO:0009058 biosynthetic process
GO:0009103 lipopolysaccharide biosynthetic process
GO:0019294 keto-3-deoxy-D-manno-octulosonic acid biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3tmq, PDBe:3tmq, PDBj:3tmq
PDBsum3tmq
PubMed23382856
UniProtQ3JP68

[Back to BioLiP]