Structure of PDB 6xwq Chain B Binding Site BS01

Receptor Information

>6xwq Chain B (length=426) Species: 69014 (Thermococcus kodakarensis KOD1)

LLRRYLDYPVLWKILWGLVLGAVFGLIAGHFGYAGAVKTYIKPFGDLFVR
LLKMLVMPIVLASLVVGAASISPARLGRVGVKIVVYYLATSAMAVFFGLI
VGRLFNVGANVNLGSGTGKAIEAQPPSLVQTLLNIVPTNPFASLAKGEVL
PVIFFAIILGIAITYLMNRNEERVRKSAETLLRVFDGLAEAMYLIVGGVM
QYAPIGVFALIAYVMAEQGVRVVGPLAKVVGAVYTGLFLQIVITYFILLK
VFGIDPIKFIRKAKDAMITAFVTRSSSGTLPVTMRVAEEEMGVDKGIFSF
TLPLGATINMDGTALYQGVTVLFVANAIGHPLTLGQQLVVVLTAVLASIG
TAGVPGAGAIMLAMVLQSVGLDLTPGSPVALAYAMILGIDAILDMGRTMV
NVTGDLAGTVIVAKTEKELDESKWIS

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: 6xwq Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6xwq Structural ensemble of a glutamate transporter homologue in lipid nanodisc environment.
• Resolution: 3.41 Å
• Binding residue (original residue number in PDB): S280 V358 P359 G360 A361 G362 D398 R401 T402
• Binding residue (residue number reindexed from 1): S276 V354 P355 G356 A357 G358 D394 R397 T398
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0015293 symporter activity

Biological Process

• GO:0046942 carboxylic acid transport
• GO:0055085 transmembrane transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:6xwq, PDBe:6xwq, PDBj:6xwq
• PDBsum: 6xwq
• PubMed: 32081874
• UniProt: Q5JID0