Structure of PDB 5lm4 Chain A Binding Site BS01

Receptor Information

>5lm4 Chain A (length=389) Species: 9606 (Homo sapiens)

EDVKSFLRRNALLLLTVLAVILGVVLGFLLRPYPLSPREVKYFAFPGELL
MRMLKMLILPLIVSSLITGLASLDAKASGRLGMRAVVYYMSTTIIAVVLG
IILVLIIEVLDCFLDLARNIFPSNLVSAAFRSYSTQEVEGMNILGLVVFS
IVFGIALGKMGEQGQLLVDFFNSLNEATMKLVAIIMWYAPLGILFLIAGK
IVEGMYMVTVIVGLVIHGLIVLPLIYFLITRKNPFVFIAGILQALITALG
TSSSSATLPITFKCLEENNGVDKRITRFVLPVGATINMDGTALYEAVAAI
FIAQDFGQIITISITATAASIGAAGIPQAGLVTMVIVLTAVGLPTDDITL
IIAVDWLLDRFRTMVNVLGDALGAGIVEHLSRKELEKQD

Ligand information

• Ligand ID: ASP
• InChI: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
• InChIKey: CKLJMWTZIZZHCS-REOHCLBHSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: C(C(C(=O)O)N)C(=O)O
  OpenEye OEToolkits 1.7.0: C([C@@H](C(=O)O)N)C(=O)O
  CACTVS 3.370: N[CH](CC(O)=O)C(O)=O
  CACTVS 3.370: N[C@@H](CC(O)=O)C(O)=O
  ACDLabs 12.01: O=C(O)CC(N)C(=O)O
• Formula: C4 H7 N O4
• Name: ASPARTIC ACID
• ChEMBL: CHEMBL274323
• DrugBank: DB00128
• ZINC: ZINC000000895032
• PDB chain: 5lm4 Chain A Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5lm4 Structure and allosteric inhibition of excitatory amino acid transporter 1.
• Resolution: 3.1 Å
• Binding residue (original residue number in PDB): S344 S345 M379 T382 G422 I423 G427 D456 R459 T460
• Binding residue (residue number reindexed from 1): S253 S254 M288 T291 G325 I326 G330 D359 R362 T363
• Annotation score: 3

Gene Ontology

Molecular Function

• GO:0015293 symporter activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:5lm4, PDBe:5lm4, PDBj:5lm4
• PDBsum: 5lm4
• PubMed: 28424515
• UniProt: P43003;
  Q15758|AAAT_HUMAN Neutral amino acid transporter B(0) (Gene Name=SLC1A5)