Receptor
PDB id Resolution Class Description Source Keywords
2UWV 2.13 Å NON-ENZYME: OTHER X-RAY HIGH RESOLUTION STRUCTURE OF THE PHOTOSYNTHETIC REACTI FROM RB. SPHAEROIDES AT PH 6.5 IN THE CHARGE-SEPARATED STATD ATASET RHODOBACTER SPHAEROIDES BACTERIOCHLOROPHYLL PHOSPHATIDYLCHOLINE CHLOROPHYLL CARDIMETAL-BINDING TRANSMEMBRANE GLUCOSYLGALACTOSYL DIACYLGLYCPROTON TRANSLOCATION PATHWAYS PHOTOSYNTHESIS REACTION CENELECTRON TRANSPORT IRON MEMBRANE TRANSPORT MAGNESIUM CHROMOPHORE BINDING POSITIONS OF THE SECONDARY QUINONE QB
Ref.: PH MODULATES THE QUINONE POSITION IN THE PHOTOSYNTH REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE AND CHARGE SEPARATED STATES. J.MOL.BIOL. V. 371 396 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BCL L:1282;
L:1286;
M:1303;
M:1304;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
911.504 C55 H74 Mg N4 O6 CC[C@...
BPH L:1284;
M:1313;
Part of Protein;
Part of Protein;
none;
none;
submit data
889.215 C55 H76 N4 O6 CCC1c...
FE M:1312;
Part of Protein;
none;
submit data
55.845 Fe [Fe+3...
GOL H:1251;
H:1252;
H:1253;
H:1254;
L:1289;
L:1290;
M:1316;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
HTO L:1288;
Invalid;
none;
submit data
148.2 C7 H16 O3 CCCC[...
LDA L:1283;
M:1305;
M:1306;
M:1307;
M:1308;
M:1309;
M:1310;
M:1311;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
229.402 C14 H31 N O CCCCC...
PO4 L:1287;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
SPO M:1315;
Invalid;
none;
submit data
568.914 C41 H60 O CC(=C...
U10 M:1314;
Valid;
none;
submit data
863.343 C59 H90 O4 CC1=C...
UQ2 L:1285;
Valid;
none;
submit data
318.407 C19 H26 O4 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2J8C 1.87 Å NON-ENZYME: OTHER X-RAY HIGH RESOLUTION STRUCTURE OF THE PHOTOSYNTHETIC REACTI FROM RB. SPHAEROIDES AT PH 8 IN THE NEUTRAL STATE RHODOBACTER SPHAEROIDES BACTERIOCHLOROPHYLL PHOSPHATIDYLCHOLINE CHLOROPHYLL CARDIMETAL-BINDING TRANSMEMBRANE GLUCOSYLGALACTOSYL DIACYLGLYCPROTON TRANSLOCATION PATHWAYS PHOTOSYNTHESIS REACTION CENELECTRON TRANSPORT IRON MEMBRANE TRANSPORT MAGNESIUM CHROMOPHORE BINDING POSITIONS OF THE SECONDARY QUINONE QB
Ref.: PH MODULATES THE QUINONE POSITION IN THE PHOTOSYNTH REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE AND CHARGE SEPARATED STATES. J.MOL.BIOL. V. 371 396 2007
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 2UX3 - U10 C59 H90 O4 CC1=C(C(=O....
2 2UXK - U10 C59 H90 O4 CC1=C(C(=O....
3 2HHK - U10 C59 H90 O4 CC1=C(C(=O....
4 2UXJ - U10 C59 H90 O4 CC1=C(C(=O....
5 3ZUW - SPN C41 H70 O2 CC(CCC=C(/....
6 2J8C - SPO C41 H60 O CC(=CCCC(=....
7 2UWU - U10 C59 H90 O4 CC1=C(C(=O....
8 1YF6 - SPO C41 H60 O CC(=CCCC(=....
9 2J8D - U10 C59 H90 O4 CC1=C(C(=O....
10 2JIY - SPN C41 H70 O2 CC(CCC=C(/....
11 3ZUM - SPN C41 H70 O2 CC(CCC=C(/....
12 4TQQ - UQ1 C14 H18 O4 CC1=C(C(=O....
13 2UWT - U10 C59 H90 O4 CC1=C(C(=O....
14 2UWW - U10 C59 H90 O4 CC1=C(C(=O....
15 2HG9 - U10 C59 H90 O4 CC1=C(C(=O....
16 2UWV - U10 C59 H90 O4 CC1=C(C(=O....
17 2UX5 - U10 C59 H90 O4 CC1=C(C(=O....
18 2BNS - MST C10 H19 N5 S CCNc1nc(nc....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 2UX3 - U10 C59 H90 O4 CC1=C(C(=O....
2 2UXK - U10 C59 H90 O4 CC1=C(C(=O....
3 2HHK - U10 C59 H90 O4 CC1=C(C(=O....
4 2UXJ - U10 C59 H90 O4 CC1=C(C(=O....
5 3ZUW - SPN C41 H70 O2 CC(CCC=C(/....
6 2J8C - SPO C41 H60 O CC(=CCCC(=....
7 2UWU - U10 C59 H90 O4 CC1=C(C(=O....
8 1YF6 - SPO C41 H60 O CC(=CCCC(=....
9 2J8D - U10 C59 H90 O4 CC1=C(C(=O....
10 2JIY - SPN C41 H70 O2 CC(CCC=C(/....
11 3ZUM - SPN C41 H70 O2 CC(CCC=C(/....
12 4TQQ - UQ1 C14 H18 O4 CC1=C(C(=O....
13 2UWT - U10 C59 H90 O4 CC1=C(C(=O....
14 2UWW - U10 C59 H90 O4 CC1=C(C(=O....
15 2HG9 - U10 C59 H90 O4 CC1=C(C(=O....
16 2UWV - U10 C59 H90 O4 CC1=C(C(=O....
17 2UX5 - U10 C59 H90 O4 CC1=C(C(=O....
18 2BNS - MST C10 H19 N5 S CCNc1nc(nc....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 2UX3 - U10 C59 H90 O4 CC1=C(C(=O....
2 2UXK - U10 C59 H90 O4 CC1=C(C(=O....
3 2HHK - U10 C59 H90 O4 CC1=C(C(=O....
4 2UXJ - U10 C59 H90 O4 CC1=C(C(=O....
5 3ZUW - SPN C41 H70 O2 CC(CCC=C(/....
6 2J8C - SPO C41 H60 O CC(=CCCC(=....
7 2UWU - U10 C59 H90 O4 CC1=C(C(=O....
8 1YF6 - SPO C41 H60 O CC(=CCCC(=....
9 2J8D - U10 C59 H90 O4 CC1=C(C(=O....
10 2JIY - SPN C41 H70 O2 CC(CCC=C(/....
11 3ZUM - SPN C41 H70 O2 CC(CCC=C(/....
12 4TQQ - UQ1 C14 H18 O4 CC1=C(C(=O....
13 2UWT - U10 C59 H90 O4 CC1=C(C(=O....
14 2UWW - U10 C59 H90 O4 CC1=C(C(=O....
15 2HG9 - U10 C59 H90 O4 CC1=C(C(=O....
16 2UWV - U10 C59 H90 O4 CC1=C(C(=O....
17 2UX5 - U10 C59 H90 O4 CC1=C(C(=O....
18 2BNS - MST C10 H19 N5 S CCNc1nc(nc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: U10; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 UQ9 1 1
2 U10 1 1
3 UQ5 1 0.970588
4 UQ8 1 1
5 UQ 1 1
6 UQ7 1 1
7 UQ2 0.92 0.941176
8 UQ1 0.603774 0.794118
9 MQ7 0.552239 0.710526
10 MQ9 0.552239 0.710526
11 UQ6 0.449275 0.780488
12 9BR 0.405405 0.622222
Ligand no: 2; Ligand: UQ2; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 UQ2 1 1
2 UQ9 0.92 0.941176
3 U10 0.92 0.941176
4 UQ5 0.92 0.969697
5 UQ8 0.92 0.941176
6 UQ 0.92 0.941176
7 UQ7 0.92 0.941176
8 UQ1 0.653061 0.84375
9 MQ7 0.492537 0.657895
10 MQ9 0.492537 0.657895
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2J8C; Ligand: U10; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 2j8c.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA 10.3093
2 1NU4 MLA 10.3093
3 1NU4 MLA 10.3093
4 5Z84 CHD 26.7857
Pocket No.: 2; Query (leader) PDB : 2J8C; Ligand: SPO; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 2j8c.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA 10.3093
2 1NU4 MLA 10.3093
3 1NU4 MLA 10.3093
4 5Z84 CHD 26.7857
Pocket No.: 3; Query (leader) PDB : 2J8C; Ligand: U10; 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: 2j8c.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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