Receptor
PDB id Resolution Class Description Source Keywords
2HG9 2.45 Å NON-ENZYME: OTHER REACTION CENTRE FROM RHODOBACTER SPHAEROIDES STRAIN R-26.1 C WITH TETRABROMINATED PHOSPHATIDYLCHOLINE RHODOBACTER SPHAEROIDES PHOTOSYNTHESIS PHOTOSYNTHETIC REACTION CENTER LIPID BINDINBROMINATED LIPIDS MEMBRANE PROTEIN PHOTOSYNTHESIS-MEMBRANCOMPLEX
Ref.: BROMINATED LIPIDS IDENTIFY LIPID BINDING SITES ON T SURFACE OF THE REACTION CENTER FROM RHODOBACTER SPH BIOCHEMISTRY V. 46 2909 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BCL L:312;
L:314;
M:311;
M:313;
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:402;
M:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
889.215 C55 H76 N4 O6 CCC1c...
CDL M:800;
Invalid;
none;
submit data
1464.04 C81 H156 O17 P2 CCCCC...
CL L:712;
M:711;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
FE M:500;
Part of Protein;
none;
submit data
55.845 Fe [Fe+3...
GOL H:705;
H:706;
H:708;
H:709;
M:707;
M:710;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
K H:700;
Part of Protein;
none;
submit data
39.098 K [K+]
LDA H:901;
H:903;
H:904;
H:908;
M:902;
M:907;
M:920;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
229.402 C14 H31 N O CCCCC...
PC7 H:801;
Invalid;
none;
submit data
763.1 C42 H85 N O8 P CCCCC...
PCK M:802;
Invalid;
none;
submit data
1106.74 C44 H85 Br4 N O8 P CCCCC...
PO4 H:704;
L:703;
M:701;
M:702;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
U10 L:502;
M:501;
Valid;
Valid;
none;
none;
submit data
863.343 C59 H90 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 REACTION CENTER FROM RB. SPHAEROIDES AT PH 8 IN THE N EUTRAL STATE RHODOBACTER SPHAEROIDES BACTERIOCHLOROPHYLL PHOSPHATIDYLCHOLINE CHLOROPHYLL CARDIOLIPIN METAL-BINDING TRANSMEMBRANE GLUCOSYLGALACTOSYL DIACYLGLYCEROL PROTON TRANSLOCATION PATHWAYS PHOTOSYNTHESIS REACTION CENTER ELECTRON TRANSPORT IRON MEMBRANE TRANSPORT MAGNESIUM CHROMOPHORE BINDING POSITIONS OF THE SECONDARY QUINONE QB
Ref.: PH MODULATES THE QUINONE POSITION IN THE PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE NEUTRAL 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 1443 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 1205 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 1039 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 UQ 1 1
2 UQ8 1 1
3 U10 1 1
4 UQ9 1 1
5 UQ7 1 1
6 UQ5 1 0.970588
7 UQ2 0.92 0.941176
8 UQ1 0.603774 0.794118
9 MQ9 0.552239 0.710526
10 MQ7 0.552239 0.710526
11 UQ6 0.449275 0.780488
12 9BR 0.405405 0.622222
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: 1
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
Pocket No.: 2; Query (leader) PDB : 2J8C; Ligand: SPO; Similar sites found with APoc: 1
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
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
APoc FAQ
Feedback