Structure of PDB 3gjc Chain B Binding Site BS01

Receptor Information

>3gjc Chain B (length=498) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VKREHWATRLGLILAMAGNAVGLGNFLRFPVQAAENGGGAFMIPYIIAFL
LVGIPLMWIEWAMGRYGGAQGHGTTPAIFYLLWRNRFAKILGVFGLWIPL
VVAIYYVYIESWTLGFAIKFLVGLVPEPPPNATDPDSILRPFKEFLYSYI
GVPKGDEPILKPSLFAYIVFLITMFINVSILIRGISKGIERFAKIAMPTL
FILAVFLVIRVFLLETPNGTAADGLNFLWTPDFEKLKDPGVWIAAVGQIF
FTLSLGFGAIITYASYVRKDQDIVLSGLTAATLNEKASVILGGSISIPAA
VAFFGVANAVAIAKAGAFNLGFITLPAIFSQTAGGTFLGFLWFFLLFFAG
LTSSIAIMQPMIAFLEDELKLSRKHAVLWTAAIVFFSAHLVMFLNKSLDE
MDFWAGTIGVVFFGLTELIIFFWIFGADKAWEEINRGGIIKVPRIYYYVM
RYITPAFLAVLLVVWAREEETHWTVWITRFYIIGLFLFLTFLVFLAER

Ligand information

Ligand ID

InChI

InChI=1S/Na/q+1

InChIKey

FKNQFGJONOIPTF-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Na+]

Formula

Name

SODIUM ION

PDB chain

3gjc Chain B Residue 514 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3gjc Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation
Resolution	2.8 Å
Binding residue (original residue number in PDB)	G20 N21 V23 G24 A351 T354 S355
Binding residue (residue number reindexed from 1)	G18 N19 V21 G22 A349 T352 S353
Annotation score	3

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Biological Process
GO:0035725	sodium ion transmembrane transport

	Cellular Component
GO:0005886	plasma membrane
GO:0016020	membrane

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Biological Process

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Cellular Component

External links

PDB	RCSB:3gjc, PDBe:3gjc, PDBj:3gjc
PDBsum	3gjc
PubMed	19307590
UniProt	O67854

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