Structure of PDB 7o3u Chain A Binding Site BS01

Receptor Information

>7o3u Chain A (length=189) Species: 32570 (Obelia longissima)

VKLKTDFDNPRWIKRHKHMFDFLDINGNGKITLDEIVSKASDDICAKLEA
TPEQTKRHQVCVEAFFRGCGMEYGKEIAFPQFLDGWKQLATSELKKWARN
EPTLIREWGDAVFDIFDKDGSGTITLDEWKAYGKISGISPSQEDCEATFR
HCDLDNAGDLDVDEMTRQHLGFWYTLDPEADGLYGNGVP

Ligand information

• Ligand ID: V1W
• InChI: InChI=1S/C28H21N3O5/c32-20-9-6-18(7-10-20)16-28(36-35)27(34)31-24-13-8-19-15-21(33)11-12-22(19)25(24)29-23(26(31)30-28)14-17-4-2-1-3-5-17/h1-13,15,32-33,35H,14,16H2/t28-/m0/s1
• InChIKey: ZSLLQPODRCGPLM-NDEPHWFRSA-N
• SMILES:
  CACTVS 3.385: OO[C]1(Cc2ccc(O)cc2)N=C3N(C1=O)c4ccc5cc(O)ccc5c4N=C3Cc6ccccc6
  OpenEye OEToolkits 2.0.7: c1ccc(cc1)CC2=Nc3c4ccc(cc4ccc3N5C2=N[C@@](C5=O)(Cc6ccc(cc6)O)OO)O
  CACTVS 3.385: OO[C@]1(Cc2ccc(O)cc2)N=C3N(C1=O)c4ccc5cc(O)ccc5c4N=C3Cc6ccccc6
  OpenEye OEToolkits 2.0.7: c1ccc(cc1)CC2=Nc3c4ccc(cc4ccc3N5C2=NC(C5=O)(Cc6ccc(cc6)O)OO)O
• Formula: C28 H21 N3 O5
• Name: v-coelenterazine
• PDB chain: 7o3u Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7o3u Crystal structure of semisynthetic obelin-v.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): M25 I42 I50 F88 W92 W114 G115 Y138 I144 M171 H175 W179 Y190
• Binding residue (residue number reindexed from 1): M19 I36 I44 F82 W86 W108 G109 Y132 I138 M165 H169 W173 Y184
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005509 calcium ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0008218 bioluminescence

External links

• PDB: RCSB:7o3u, PDBe:7o3u, PDBj:7o3u
• PDBsum: 7o3u
• PubMed: 34802167
• UniProt: Q27709|OBL_OBELO Obelin