Structure of PDB 3gjd Chain A Binding Site BS02

Receptor Information

>3gjd Chain A (length=509) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

REHWATRLGLILAMAGNAVGLGNFLRFPVQAAENGGGAFMIPYIIAFLLV
GIPLMWIEWAMGRYGGAQGHGTTPAIFYLLWRNRFAKILGVFGLWIPLVV
AIYYVYIESWTLGFAIKFLVGLVPEPPPTDPDSILRPFKEFLYSYIGVPK
GDEPILKPSLFAYIVFLITMFINVSILIRGISKGIERFAKIAMPTLFILA
VFLVIRVFLLETPNGTAADGLNFLWTPDFEKLKDPGVWIAAVGQIFFTLS
LGFGAIITYASYVRKDQDIVLSGLTAATLNEKAEVILGGSISIPAAVAFF
GVANAVAIAKAGAFNLGFITLPAIFSQTAGGTFLGFLWFFLLFFAGLTSS
IAIMQPMIAFLEDELKLSRKHAVLWTAAIVFFSAHLVMFLNKSLDEMDFW
AGTIGVVFFGLTELIIFFWIFGADKAWEEINRGGIIKVPRIYYYVMRYIT
PAFLAVLLVVWAREYIPKIMEETHWTVWITRFYIIGLFLFLTFLVFLAER
RRNHESAGT

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

3gjd Chain A Residue 517 [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	3gjd Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation
Resolution	2.0 Å
Binding residue (original residue number in PDB)	A22 V23 N27 T254 N286
Binding residue (residue number reindexed from 1)	A18 V19 N23 T248 N280
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:3gjd, PDBe:3gjd, PDBj:3gjd
PDBsum	3gjd
PubMed	19307590
UniProt	O67854

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