Structure of PDB 3pmd Chain A Binding Site BS01

Receptor Information
>3pmd Chain A (length=153) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMEATKRYLCLYLKESQEKFISNWKKRILVHEHDPYKNEIIKNGTHLL
HVFTMYMREEINLQDIEDISKKIAQERMDAKVNIADFIYNTNEGKKEILN
TLFLLNPTGQECKVVIEQINLFFDHLIYSTIYSYYKLKKEYIHSYYELKK
KYN
Ligand information
Ligand ID11A
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKeyZDPHROOEEOARMN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCCCCCCC
FormulaC11 H22 O2
NameUNDECANOIC ACID
ChEMBLCHEMBL108030
DrugBankDB16857
ZINCZINC000001586297
PDB chain3pmd Chain A Residue 151 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3pmd Structural Insights into Inhibition of Bacillus anthracis Sporulation by a Novel Class of Non-heme Globin Sensor Domains.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		F19 I39 N42 R74 T88
Binding residue
(residue number reindexed from 1)		F22 I42 N45 R77 T91
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links