Structure of PDB 4e3w Chain A Binding Site BS03

Receptor Information
>4e3w Chain A (length=329) Species: 376619 (Francisella tularensis subsp. holarctica LVS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKLIFVSMITRNGDRAPFANIENANYSWGTELSELTPIGMNQEYNLGLQL
RKRYIDKFGLLPEHYVDQSIYVLSSHTNRTVVSAQSLLMGLYPAGTGPLI
GDGDPAIKDRFQPIPIMTLSADSRLIQFPYEQYLAVLKKYVYNSPEWQNK
TKEAAPNFAKWQQILGNRISGLNDVITVGDVLIVAQAHGKPLPKGLSQED
ADQIIALTDWGLAQQFKSQKVSYIMGGKLTNRMIEDLNNAVNGKSKYKMT
YYSGHALTLLEVMGTLGVPLDTAPGYASNLEMELYKDGDIYTVKLRYNGK
YVKLPIMDKNNSCSLDALNKYMQSINEKF
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain4e3w Chain A Residue 403 [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]
PDB4e3w Proline: Mother Nature's cryoprotectant applied to protein crystallography.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		F23 Y135
Binding residue
(residue number reindexed from 1)		F18 Y130
Annotation score4
External links