Structure of PDB 1el4 Chain A Binding Site BS01

Receptor Information
>1el4 Chain A (length=194) Species: 32570 (Obelia longissima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSKYAVKLKTDFDNPRWIKRHKHMFDFLDINGNGKITLDEIVSKASDDIC
AKLEATPEQTKRHQVCVEAFFRGCGMEYGKEIAFPQFLDGWKQLATSELK
KWARNEPTLIREWGDAVFDIFDKDGSGTITLDEWKAYGKISGISPSQEDC
EATFRHCDLDNSGDLDVDEMTRQHLGFWYTLDPEADGLYGNGVP
Ligand information
Ligand IDCTZ
InChIInChI=1S/C26H21N3O4/c30-20-10-6-18(7-11-20)15-26(33)25(32)29-16-23(19-8-12-21(31)13-9-19)27-22(24(29)28-26)14-17-4-2-1-3-5-17/h1-13,16,30-31,33H,14-15H2/t26-/m0/s1
InChIKeyULLMMKZQNNBLRN-SANMLTNESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC2=NC(=CN3C2=NC(C3=O)(Cc4ccc(cc4)O)O)c5ccc(cc5)O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)O)c5ccc(cc5)O
CACTVS 3.341Oc1ccc(C[C]2(O)N=C3N(C=C(N=C3Cc4ccccc4)c5ccc(O)cc5)C2=O)cc1
CACTVS 3.341Oc1ccc(C[C@@]2(O)N=C3N(C=C(N=C3Cc4ccccc4)c5ccc(O)cc5)C2=O)cc1
ACDLabs 10.04O=C1N3C=C(N=C(C3=NC1(O)Cc2ccc(O)cc2)Cc4ccccc4)c5ccc(O)cc5
FormulaC26 H21 N3 O4
NameC2-HYDROXY-COELENTERAZINE;
8-BENZYL-2-HYDROXY-2-(4-HYDROXY-BENZYL)-6-(4-HYDROXY-PHENYL)-2H-IMIDAZO[1,2-A]PYRAZIN-3-ONE
ChEMBL
DrugBankDB02194
ZINCZINC000038664782
PDB chain1el4 Chain A Residue 197 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1el4 Structure of the Ca2+-regulated photoprotein obelin at 1.7 A resolution determined directly from its sulfur substructure.
Resolution1.73 Å
Binding residue
(original residue number in PDB)		H22 M25 I42 I50 F88 W92 W114 G115 F119 Y138 H175 W179 Y190
Binding residue
(residue number reindexed from 1)		H21 M24 I41 I49 F87 W91 W113 G114 F118 Y137 H174 W178 Y189
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H22 W92 Y138 H175 Y190
Catalytic site (residue number reindexed from 1) H21 W91 Y137 H174 Y189
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0046872 metal ion binding
Biological Process
GO:0008218 bioluminescence

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1el4, PDBe:1el4, PDBj:1el4
PDBsum1el4
PubMed11152120
UniProtQ27709|OBL_OBELO Obelin

[Back to BioLiP]