Structure of PDB 3f3a Chain A

Receptor sequence

>3f3aA (length=504) Species: 63363 (Aquifex aeolicus)

REHWATRLGLILAMAGNAVGLGNFLRFPVQAAENGGGAFMIPYIIAFLLV
GIPLMWIEWAMGRYGGAQGHGTTPAIFYLLWRNRFAKILGVFGLWIPLVV
AIYYVYIESWTLGFAIKFLVGLVPEPPTDPDSILRPFKEFLYSYIGVPKG
DEPILKPSLFAYIVFLITMFINVSILIRGISKGIERFAKIAMPTLFILAV
FLVIRVFLLETPNGTAADGLNFLWTPDFEKLKDPGVWIAAVGQIFFTLSL
GFGAIITYASYVRKDQDIVLSGLTAATLNEKAEVILGGSISIPAAVAFFG
VANAVAIAKAGAFNLGFITLPAIFSQTAGGTFLGFLWFFLLFFAGLTSSI
AIMQPMIAFLEDELKLSRKHAVLWTAAIVFFSAHLVMFLNKSLDEMDFWA
GTIGVVFFGLTELIIFFWIFGADKAWEEINRGGIIKVPRIYYYVMRYITP
AFLAVLLVVWAREYIPKIMEETHWTVWITRFYIIGLFLFLTFLVFLAERR
RNHE

3D structure

• PDB: 3f3a A competitive inhibitor traps LeuT in an open-to-out conformation.
• Chain: A
• Resolution: 2.0 Å

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	TRP	A	A22 G24 L25 G26 Y108 F253 T254 S256 F259 S355 I359	A18 G20 L21 G22 Y104 F246 T247 S249 F252 S348 I352	MOAD: Ki=64800nM PDBbind-CN: -logKd/Ki=4.19,Ki=64.8uM
BS02	TRP	A	R30 G249 F253 D404 G408 T409	R26 G242 F246 D397 G401 T402	MOAD: Ki=64800nM PDBbind-CN: -logKd/Ki=4.19,Ki=64.8uM
BS03	TRP	A	R11 D272 Q273 D274 G439	R7 D265 Q266 D267 G432	MOAD: Ki=64800nM PDBbind-CN: -logKd/Ki=4.19,Ki=64.8uM
BS04	TRP	A	F306 N310 A313 I314 A317 N321	F299 N303 A306 I307 A310 N314	MOAD: Ki=64800nM PDBbind-CN: -logKd/Ki=4.19,Ki=64.8uM
BS05	NA	A	G20 N21 V23 G24 A351 T354 S355	G16 N17 V19 G20 A344 T347 S348
BS06	NA	A	A22 V23 N27 T254 N286	A18 V19 N23 T247 N279

Gene Ontology

Biological Process

• GO:0035725 sodium ion transmembrane transport

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane

External links

• PDB: RCSB:3f3a, PDBe:3f3a, PDBj:3f3a
• PDBsum: 3f3a
• PubMed: 19074341
• UniProt: O67854