Structure of PDB 6vj6 Chain B Binding Site BS01

Receptor Information
>6vj6 Chain B (length=258) Species: 226900 (Bacillus cereus ATCC 14579) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNADNIVTTKSGSISESDFNKKLKENYGKQNLSEMVVEKVLHDKYKVTDE
EVTKQLEELKDKMGDNFNTYMESNGVKNEDQLKEKLKLTFAFEKAIKATV
TEKDIKDHYKPKLQVSHILVKDEKTAKEIKEKLNSGEDFAALAKQYSEDP
GSKEKGGELSEFGPGMMVKEFEDAAYKLEVGQLSEPVKSSFGYHIIKLTD
KKELKPYEEEKENIRKELEQQRIQDPQFHQQVTRDLLKNADIKVSDKDLK
DTFKELEK
Ligand information
Ligand ID2NV
InChIInChI=1S/C13H29NO5/c1-3-15-4-5-16-6-7-17-8-9-18-10-11-19-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m1/s1
InChIKeyLPPZTQZWMYYVLK-CYBMUJFWSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01NC(C)COCCOCCOCCOCCOCC
CACTVS 3.385CCOCCOCCOCCOCCOC[CH](C)N
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCOCCOCCOCCOCCOC[C@@H](C)N
OpenEye OEToolkits 1.7.6CCOCCOCCOCCOCCOCC(C)N
FormulaC13 H29 N O5
Name3,6,9,12,15-pentaoxaoctadecan-17-amine;
Jeffamine ED-2001
ChEMBL
DrugBank
ZINCZINC000098208218
PDB chain6vj6 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6vj6 2.55 Angstrom Resolution Crystal Structure of Peptidylprolyl Isomerase (PrsA) from Bacillus cereus
Resolution2.553 Å
Binding residue
(original residue number in PDB)		D171 F213 H216
Binding residue
(residue number reindexed from 1)		D149 F191 H194
Annotation score1
Enzymatic activity
Enzyme Commision number 5.2.1.8: peptidylprolyl isomerase.
Gene Ontology
Molecular Function
GO:0003755 peptidyl-prolyl cis-trans isomerase activity
Biological Process
GO:0006457 protein folding
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6vj6, PDBe:6vj6, PDBj:6vj6
PDBsum6vj6
PubMed
UniProtQ81CB1|PRSA4_BACCR Foldase protein PrsA 4 (Gene Name=prsA4)

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