Structure of PDB 8ssi Chain C Binding Site BS01

Receptor Information
>8ssi Chain C (length=268) Species: 28450 (Burkholderia pseudomallei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRRPTIELEFDRAIEGSVPHIALRADDGTSVAVGPLSWLSDRRIAFAPRK
PLKSNSRYEIMVPTSSFDTAPVTPPRGLPNLDGASCFINTALQLAVHSSA
LDDILSNEAVPPAVRTLLEDYDAASADALDAQLAAAVAALRATPEVPDSG
PGQTLEVMQALRMPLYDTSSANNATNNADAIRHAPPNTKAFFLNSYPPLS
YADLPNHDRLVAFDYSTGGHYVAYVKRDGIWYRIDDAQVSAVNEQDLLAL
PAFNPANGSVSIEIAIYR
Ligand information
Ligand IDAYE
InChIInChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
InChIKeyVVJKKWFAADXIJK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCC=C
OpenEye OEToolkits 1.5.0C=CCN
ACDLabs 10.04C=C\CN
FormulaC3 H7 N
Nameprop-2-en-1-amine;
ALLYLAMINE
ChEMBLCHEMBL57286
DrugBank
ZINCZINC000017654097
PDB chain8ssi Chain D Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8ssi Burkholderia esterase TssM counters RNF213-mediated bacterial ubiquitylation
Resolution2.5 Å
Binding residue
(original residue number in PDB)		A290 C292
Binding residue
(residue number reindexed from 1)		A84 C86
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links