Structure of PDB 4e3w Chain B Binding Site BS01
Receptor Information
>4e3w Chain B (length=329) Species:
376619
(Francisella tularensis subsp. holarctica LVS) [
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SKLIFVSMITRNGDRAPFANIENANYSWGTELSELTPIGMNQEYNLGLQL
RKRYIDKFGLLPEHYVDQSIYVLSSHTNRTVVSAQSLLMGLYPAGTGPLI
GDGDPAIKDRFQPIPIMTLSADSRLIQFPYEQYLAVLKKYVYNSPEWQNK
TKEAAPNFAKWQQILGNRISGLNDVITVGDVLIVAQAHGKPLPKGLSQED
ADQIIALTDWGLAQQFKSQKVSYIMGGKLTNRMIEDLNNAVNGKSKYKMT
YYSGHALTLLEVMGTLGVPLDTAPGYASNLEMELYKDGDIYTVKLRYNGK
YVKLPIMDKNNSCSLDALNKYMQSINEKF
Ligand information
Ligand ID
SO4
InChI
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKey
QAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
[O-]S(=O)(=O)[O-]
CACTVS 3.341
[O-][S]([O-])(=O)=O
ACDLabs 10.04
[O-]S([O-])(=O)=O
Formula
O4 S
Name
SULFATE ION
ChEMBL
DrugBank
DB14546
ZINC
PDB chain
4e3w Chain B Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
4e3w
Proline: Mother Nature's cryoprotectant applied to protein crystallography.
Resolution
1.75 Å
Binding residue
(original residue number in PDB)
R16 N17 R20 R84 H260 A261
Binding residue
(residue number reindexed from 1)
R11 N12 R15 R79 H255 A256
Annotation score
3
External links
PDB
RCSB:4e3w
,
PDBe:4e3w
,
PDBj:4e3w
PDBsum
4e3w
PubMed
22868767
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