Receptor
PDB id Resolution Class Description Source Keywords
2X20 1.95 Å NON-ENZYME: BINDING STRUCTURE OF PERIDININ-CHLOROPHYLL-PROTEIN RECONSTITUTED WITH CHL-B AMPHIDINIUM CARTERAE LIGHT-HARVESTING POLYPEPTIDE LIGHT HARVESTING PROTEIN ALPHA HELICAL PHOTOSYNTHESIS CHROMOPHORE CHLOROPLAST CAROTENOIDS
Ref.: X-RAY STRUCTURES OF THE PERIDININ-CHLOROPHYLL-PROTEIN RECONSTITUTED WITH DIFFERENT CHLOROPHYLLS. FEBS LETT. V. 584 973 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD M:1151;
M:1152;
M:1153;
M:1154;
M:1155;
M:1156;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
112.411 Cd [Cd+2...
CHL M:601;
Part of Protein;
none;
submit data
907.472 C55 H70 Mg N4 O6 CCC1=...
CL M:1157;
M:1158;
M:1159;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
DGD M:615;
Valid;
none;
submit data
949.299 C51 H96 O15 CCCCC...
K M:1160;
Part of Protein;
none;
submit data
39.098 K [K+]
NA M:1161;
Part of Protein;
none;
submit data
22.99 Na [Na+]
PEG M:1162;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
PID M:611;
M:612;
M:613;
M:614;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
630.81 C39 H50 O7 CC(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IIS 1.4 Å NON-ENZYME: BINDING STRUCTURE OF THE RECONSTITUTED PERIDININ-CHLOROPHYLL A-PROTE AMPHIDINIUM CARTERAE ALPHA HELICAL LIGHT HARVESTING PROTEIN PHOTOSYNTHESIS CARDINOFLAGELLATES CHLOROPHYLL CHLOROPLAST CHROMOPHORE LIGHARVESTING POLYPEPTIDE TRANSIT PEPTIDE
Ref.: IDENTIFICATION OF A SINGLE PERIDININ SENSING CHL-A EXCITATION IN RECONSTITUTED PCP BY CRYSTALLOGRAPHY SPECTROSCOPY. PROC.NATL.ACAD.SCI.USA V. 106 20764 2009
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 3IIS - PID C39 H50 O7 CC(=CC=CC=....
2 2X21 - DGD C51 H96 O15 CCCCCCCCCC....
3 2X20 - DGD C51 H96 O15 CCCCCCCCCC....
4 3IIU - PID C39 H50 O7 CC(=CC=CC=....
5 2X1Z - DGD C51 H96 O15 CCCCCCCCCC....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 3IIS - PID C39 H50 O7 CC(=CC=CC=....
2 2X21 - DGD C51 H96 O15 CCCCCCCCCC....
3 2X20 - DGD C51 H96 O15 CCCCCCCCCC....
4 3IIU - PID C39 H50 O7 CC(=CC=CC=....
5 2X1Z - DGD C51 H96 O15 CCCCCCCCCC....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 3IIS - PID C39 H50 O7 CC(=CC=CC=....
2 2X21 - DGD C51 H96 O15 CCCCCCCCCC....
3 2X20 - DGD C51 H96 O15 CCCCCCCCCC....
4 3IIU - PID C39 H50 O7 CC(=CC=CC=....
5 2X1Z - DGD C51 H96 O15 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DGD; Similar ligands found: 72
No: Ligand ECFP6 Tc MDL keys Tc
1 DGD 1 1
2 1O2 0.776471 0.934783
3 3TF 0.767442 0.934783
4 1L2 0.709677 0.934783
5 SQD 0.678161 0.68254
6 GGD 0.64 0.978261
7 J7Z 0.62 0.934783
8 PII 0.494624 0.722222
9 TGL 0.493506 0.608696
10 LTC 0.475 0.762712
11 PIF 0.46875 0.709091
12 PGT 0.467391 0.618182
13 LHG 0.467391 0.618182
14 PIZ 0.464646 0.690909
15 GM3 0.464646 0.763636
16 PBS 0.455446 0.75
17 FEE 0.455446 0.75
18 F61 0.455446 0.75
19 AGH 0.455446 0.75
20 0SH 0.455446 0.75
21 PIO 0.454545 0.709091
22 52N 0.454545 0.709091
23 IP9 0.454545 0.690909
24 FAW 0.451219 0.688889
25 DGA 0.451219 0.688889
26 L2C 0.451219 0.688889
27 DDR 0.451219 0.688889
28 B7N 0.45098 0.709091
29 LBR 0.448276 0.638298
30 PIE 0.446602 0.690909
31 MAN MMA 0.439024 0.73913
32 9R2 0.436782 0.866667
33 20S 0.435644 0.875
34 BMA MAN MAN 0.433735 0.733333
35 GLC GLC GLC 0.433735 0.733333
36 GLC GLC GLC GLC GLC BGC 0.433735 0.733333
37 GLC GLC GLC GLC BGC 0.433735 0.733333
38 MAN MAN MAN 0.433735 0.733333
39 D3D 0.425743 0.607143
40 PGW 0.425743 0.607143
41 DR4 0.422222 0.847826
42 XNS 0.422222 0.847826
43 DR9 0.421569 0.607143
44 PGV 0.421569 0.607143
45 03F 0.420561 0.736842
46 DGG 0.419048 0.642857
47 JLS 0.418182 0.736842
48 P6L 0.417476 0.607143
49 BOG 0.416667 0.888889
50 HSJ 0.416667 0.888889
51 BNG 0.416667 0.888889
52 OZ2 0.413462 0.607143
53 AGA 0.412371 0.618182
54 GLA GLC 0.409639 0.733333
55 MAN BMA 0.409639 0.733333
56 BMA MAN 0.409639 0.733333
57 MAN MAN 0.409639 0.733333
58 GAL GLC 0.409639 0.733333
59 GLC GLC 0.409639 0.733333
60 MLB 0.409639 0.733333
61 GLA BGC 0.409639 0.733333
62 GAL GAL 0.409639 0.733333
63 BMA GLA 0.409639 0.733333
64 LAK 0.409639 0.733333
65 GLA BMA 0.409639 0.733333
66 BGC GLA 0.409639 0.733333
67 BGC GLC 0.409639 0.733333
68 GLC BGC 0.409639 0.733333
69 T7X 0.409091 0.709091
70 B7G 0.404762 0.888889
71 KGM 0.404762 0.888889
72 GAL SPH NER 0.40367 0.719298
Ligand no: 2; Ligand: PID; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PID 1 1
2 NEX 0.438017 0.818182
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IIS; Ligand: PID; 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: 3iis.bio1) has 67 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3IIS; Ligand: PID; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3iis.bio1) has 67 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3IIS; Ligand: PID; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3iis.bio1) has 67 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3IIS; Ligand: PID; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3iis.bio1) has 67 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3IIS; Ligand: PID; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3iis.bio1) has 67 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3IIS; Ligand: PID; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3iis.bio1) has 67 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3IIS; Ligand: PID; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3iis.bio1) has 67 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3IIS; Ligand: PID; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3iis.bio1) has 67 residues
No: Leader PDB Ligand Sequence Similarity
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