Structure of PDB 6o9a Chain A Binding Site BS01

Receptor Information
>6o9a Chain A (length=271) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YRAGWIHFTNVAPILDSLELPPGVTAITGVPTQMNAALLSGEVDIANVSA
VEFIRHADTLAALPDFSVAVLGPVYSVNLFHTCPLPELRRVALTSQSAMS
VALLEVLLRQKGLSPVLERAEGTAESLLAAGYDGVLRIGDDALREWYGVV
GPLTPERTMTSLPHTGRGITVTDLAQEWFDLTGHPFTFAVWAYRKDNPPP
AALLQAMREARRRGIGHLAEVSQRHAEKLGLPERVVQHYLWNFRYHLEAP
DRLGLREFADLAVPGHAELTF
Ligand information
Ligand ID3HB
InChIInChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
InChIKeyIJFXRHURBJZNAO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)c1cc(O)ccc1
OpenEye OEToolkits 1.7.2c1cc(cc(c1)O)C(=O)O
CACTVS 3.370OC(=O)c1cccc(O)c1
FormulaC7 H6 O3
Name3-HYDROXYBENZOIC ACID
ChEMBLCHEMBL65369
DrugBank
ZINCZINC000000388754
PDB chain6o9a Chain A 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]
PDB6o9a Menaquinone Biosynthesis: Biochemical and Structural Studies of Chorismate Dehydratase.
Resolution2.326 Å
Binding residue
(original residue number in PDB)		F24 N26 S65 M115 A205
Binding residue
(residue number reindexed from 1)		F8 N10 S49 M99 A189
Annotation score2
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:6o9a, PDBe:6o9a, PDBj:6o9a
PDBsum6o9a
PubMed30855131
UniProtQ9RXE3

[Back to BioLiP]