Structure of PDB 3uso Chain B Binding Site BS03

Receptor Information
>3uso Chain B (length=502) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REHWATRLGLILAMAGNAVGLGNFLRFPVQAAENGGGAFMIPYIIAFLLV
GIPLMWIEWAMGRYGGAQGHGTTPAIFYLLWRNRFAKILGVFGLWIPLVV
AIYYVYIESWTLGFAIKFLVGLVPEPPTDPDSILRPFKEFLYSYIGVPKG
DEPILKPSLFAYIVFLITMFINVSILIRGISKGIERFAKIAMPTLFILAV
FLVIRVFLLETPNGTAADGLNFLWTPDFEKLKDPGVWIAAVGQIFFTLSL
GFGAIITYASYVRKDQDIVLSGLTAATLNEKAEVILGGSISIPAAVAFFG
VANAVAIAKAGAFNLGFITLPAIFSQTAGGTFLGFLWFFLLFFAGLTSSI
AIMQPMIAFLEDELKLSRKHAVLWTAAIVFFSAHLVMFLNKSLDEMDFWA
GTIGVVFFGLTELIIFFWIFGADKAWEEINRGGIIKVPRIYYYVMRYITP
AFLAVLLVVWAREYIPKIMEETHWTVWITRFYIIGLFLFLTFLVFLAERR
RN
Ligand information
Ligand IDMSE
InChIInChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyRJFAYQIBOAGBLC-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)CC[Se]C
CACTVS 3.341C[Se]CC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0C[Se]CC[C@@H](C(=O)O)N
CACTVS 3.341C[Se]CC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[Se]CCC(C(=O)O)N
FormulaC5 H11 N O2 Se
NameSELENOMETHIONINE
ChEMBLCHEMBL113178
DrugBankDB11142
ZINC
PDB chain3uso Chain B Residue 601 [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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PDB3uso Structures of LeuT in bicelles define conformation and substrate binding in a membrane-like context.
Resolution4.5 Å
Binding residue
(original residue number in PDB)		N21 A22 G24 G26 Y108 F253 T254 S256 S355 I359
Binding residue
(residue number reindexed from 1)		N17 A18 G20 G22 Y104 F246 T247 S249 S348 I352
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0035725 sodium ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:3uso, PDBe:3uso, PDBj:3uso
PDBsum3uso
PubMed22245965
UniProtO67854

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