Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:403;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
CO A:401;
A:402;
Invalid;
Invalid;
none;
none;
submit data
58.933 Co [Co+2...
CZH A:201;
Valid;
none;
submit data
455.462 C26 H21 N3 O5 c1ccc...
GOL A:301;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
K A:404;
Part of Protein;
none;
submit data
39.098 K [K+]
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
Ligand no: 1; Ligand: CZH; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CZH 1 1
2 9A3 0.846154 0.9375
3 CTZ 0.721519 0.885246
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1qv1.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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