Receptor
PDB id Resolution Class Description Source Keywords
1S36 1.96 Å EC: 1.13.12.5 CRYSTAL STRUCTURE OF A CA2+-DISCHARGED PHOTOPROTEIN: IMPLICA THE MECHANISMS OF THE CALCIUM TRIGGER AND THE BIOLUMINESCEN OBELIA LONGISSIMA PHOTOPROTEIN OBELIN BIOLUMINESCENCE CALCIUM BINDING EF-HAEQUORIN STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITISOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS SECSG LUMPROTEIN
Ref.: CRYSTAL STRUCTURE OF A CA2+-DISCHARGED PHOTOPROTEIN IMPLICATIONS FOR MECHANISMS OF THE CALCIUM TRIGGER BIOLUMINESCENCE J.BIOL.CHEM. V. 279 33647 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CEI A:201;
 Valid;
 none;
 submit data
411.453 C25 H21 N3 O3 c1ccc...
CL A:402;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
GOL A:301;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
NA A:401;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QV1 1.1 Å EC: 1.13.12.5 ATOMIC RESOLUTION STRUCTURE OF OBELIN FROM OBELIA LONGISSIMA OBELIA LONGISSIMA PHOTOPROTEIN OBELIN BIOLUMINESCENCE ATOMIC RESOLUTION CABINDING EF-HAND LUMINESCENT PROTEIN
Ref.: ATOMIC RESOLUTION STRUCTURE OF OBELIN: SOAKING WITH ENHANCES ELECTRON DENSITY OF THE SECOND OXYGEN ATOM SUBSTITUTED AT THE C2-POSITION OF COELENTERAZINE. BIOCHEM.BIOPHYS.RES.COMMUN. V. 311 433 2003
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JF2 - CZH C26 H21 N3 O5 c1ccc(cc1)....
2 4N1F - CZH C26 H21 N3 O5 c1ccc(cc1)....
3 1EL4 - CTZ C26 H21 N3 O4 c1ccc(cc1)....
4 2F8P - CEI C25 H21 N3 O3 c1ccc(cc1)....
5 1QV0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
6 4N1G - CEI C25 H21 N3 O3 c1ccc(cc1)....
7 1QV1 - CZH C26 H21 N3 O5 c1ccc(cc1)....
8 1S36 - CEI C25 H21 N3 O3 c1ccc(cc1)....
9 1SL9 - CZH C26 H21 N3 O5 c1ccc(cc1)....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UHH - CZP C25 H27 N3 O5 c1cc(ccc1C....
2 5ZAB - 9A3 C27 H20 F3 N3 O4 c1ccc(cc1)....
3 1UHJ - CZB C26 H22 Br N3 O4 c1ccc(cc1)....
4 1UHK - CZN C30 H25 N3 O4 c1ccc(cc1)....
5 1EJ3 - CZH C26 H21 N3 O5 c1ccc(cc1)....
6 3KPX - CZH C26 H21 N3 O5 c1ccc(cc1)....
7 1JF0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
8 1JF2 - CZH C26 H21 N3 O5 c1ccc(cc1)....
9 4N1F - CZH C26 H21 N3 O5 c1ccc(cc1)....
10 1EL4 - CTZ C26 H21 N3 O4 c1ccc(cc1)....
11 2F8P - CEI C25 H21 N3 O3 c1ccc(cc1)....
12 1QV0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
13 4N1G - CEI C25 H21 N3 O3 c1ccc(cc1)....
14 1QV1 - CZH C26 H21 N3 O5 c1ccc(cc1)....
15 1S36 - CEI C25 H21 N3 O3 c1ccc(cc1)....
16 1SL9 - CZH C26 H21 N3 O5 c1ccc(cc1)....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UHH - CZP C25 H27 N3 O5 c1cc(ccc1C....
2 5ZAB - 9A3 C27 H20 F3 N3 O4 c1ccc(cc1)....
3 1UHJ - CZB C26 H22 Br N3 O4 c1ccc(cc1)....
4 1UHK - CZN C30 H25 N3 O4 c1ccc(cc1)....
5 1EJ3 - CZH C26 H21 N3 O5 c1ccc(cc1)....
6 3KPX - CZH C26 H21 N3 O5 c1ccc(cc1)....
7 1JF0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
8 1JF2 - CZH C26 H21 N3 O5 c1ccc(cc1)....
9 4N1F - CZH C26 H21 N3 O5 c1ccc(cc1)....
10 1EL4 - CTZ C26 H21 N3 O4 c1ccc(cc1)....
11 2F8P - CEI C25 H21 N3 O3 c1ccc(cc1)....
12 1QV0 - CZH C26 H21 N3 O5 c1ccc(cc1)....
13 4N1G - CEI C25 H21 N3 O3 c1ccc(cc1)....
14 1QV1 - CZH C26 H21 N3 O5 c1ccc(cc1)....
15 1S36 - CEI C25 H21 N3 O3 c1ccc(cc1)....
16 1SL9 - CZH C26 H21 N3 O5 c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CEI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CEI 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: CEI; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QV1; Ligand: CZH; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1qv1.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 6LM1 D10 6.66667
2 6LM1 OCT 6.66667
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