Structure of PDB 4ykk Chain A Binding Site BS02

Receptor Information

>4ykk Chain A (length=247) Species: 27923 (Mnemiopsis leidyi)

NLIGRHLRLGSVEEQPFMFFATEGCEGNDCWSGMVNDMVVKLSEDLGFTY
EYIQPDDRKFGALNKTTNEWNGMIRDLLDDKTDMIAIDLSTNSARKSAID
YSFPFMDAGIKAVVKGEGTTLNQVLELLDQDKYKWGVIGSRHPETLLKTH
RDSRYSRLVDEGVELKDLNHAIETLRGGLFVFIDEGPVLAHNLISDCDVF
SVGEEFQSFEYAFGLPKDSPYKSLIDSHLLKFREEGFIDILWEKWSS

Ligand information

• Ligand ID: DSN
• InChI: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
• InChIKey: MTCFGRXMJLQNBG-UWTATZPHSA-N
• SMILES:
  CACTVS 3.341: N[CH](CO)C(O)=O
  OpenEye OEToolkits 1.5.0: C([C@H](C(=O)O)N)O
  CACTVS 3.341: N[C@H](CO)C(O)=O
  OpenEye OEToolkits 1.5.0: C(C(C(=O)O)N)O
  ACDLabs 10.04: O=C(O)C(N)CO
• Formula: C3 H7 N O3
• Name: D-SERINE
• ChEMBL: CHEMBL285123
• DrugBank: DB03929
• ZINC: ZINC000000895342
• PDB chain: 4ykk Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ykk Glycine activated ion channel subunits encoded by ctenophore glutamate receptor genes.
• Resolution: 1.38 Å
• Binding residue (original residue number in PDB): F63 D91 S93 R98 R144 H145 E188
• Binding residue (residue number reindexed from 1): F60 D88 S90 R95 R141 H142 E185
• Annotation score: 4
• Binding affinity: MOAD: Ki=1.7mM
  PDBbind-CN: -logKd/Ki=2.77,Ki=1.7mM

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:4ykk, PDBe:4ykk, PDBj:4ykk
• PDBsum: 4ykk
• PubMed: 26460032
• UniProt: A0A0R4I973