Structure of PDB 4ykj Chain B Binding Site BS01

Receptor Information

>4ykj Chain B (length=255) Species: 27923 (Mnemiopsis leidyi)

GSKNLIGRHLRLGSVEEQPFMFFATEGCEGNDCWSGMVNDMVVKLSEDLG
FTYEYIQPDDRKFGALNKTTNEWNGMIRDLLDDKTDMIAIDLSTNSARKS
AIDYSFPFMDAGIKAVVKGEGTTLNQVLELLDQDKYKWGVIGSRHPETLL
KTHRDSRYSRLVDEGVELKDLNHAIETLRGGLFVFIDEGPVLAHNLISDC
DVFSVGEEFQSFEYAFGLPKDSPYKSLIDSHLLKFREEGFIDILWEKWSS
GNSVC

Ligand information

• Ligand ID: ALA
• InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
• InChIKey: QNAYBMKLOCPYGJ-REOHCLBHSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(C(=O)O)N
  CACTVS 3.341: C[CH](N)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)C
  CACTVS 3.341: C[C@H](N)C(O)=O
  OpenEye OEToolkits 1.5.0: C[C@@H](C(=O)O)N
• Formula: C3 H7 N O2
• Name: ALANINE
• ChEMBL: CHEMBL279597
• DrugBank: DB00160
• ZINC: ZINC000004658553
• PDB chain: 4ykj Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ykj Glycine activated ion channel subunits encoded by ctenophore glutamate receptor genes.
• Resolution: 1.401 Å
• Binding residue (original residue number in PDB): F63 S93 R98 R144 H145 E188
• Binding residue (residue number reindexed from 1): F63 S93 R98 R144 H145 E188
• Annotation score: 4
• Binding affinity: MOAD: Ki=37uM

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity
• GO:0046872 metal ion binding

Biological Process

• GO:0034220 monoatomic ion transmembrane transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:4ykj, PDBe:4ykj, PDBj:4ykj
• PDBsum: 4ykj
• PubMed: 26460032
• UniProt: A0A0R4I973