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 1256 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 1068 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 922 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: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 UQ7 1 1
2 UQ 1 1
3 U10 1 1
4 UQ8 1 1
5 UQ9 1 1
6 UQ5 1 0.970588
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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2J8C; Ligand: U10; Similar sites found: 31
This union binding pocket(no: 1) in the query (biounit: 2j8c.bio1) has 62 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TV5 N8E 0.03536 0.44007 3.55872
2 3W54 RNB 0.03245 0.41943 3.55872
3 1TV5 A26 0.04304 0.41943 3.55872
4 3SQP 3J8 0.04916 0.42663 3.84615
5 2UXI G50 0.04133 0.40529 4.28571
6 5CHR 4NC 0.04934 0.42522 4.37956
7 3GQT UFO 0.04593 0.41454 4.56026
8 1M2Z BOG 0.01204 0.48297 4.66926
9 5UGW GSH 0.02654 0.43671 5.14286
10 2YOO K2B 0.03963 0.4062 5.21173
11 1RL4 BL5 0.03391 0.40949 5.31915
12 4JGT PYR 0.03886 0.4238 5.76923
13 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.0223 0.4587 6.80272
14 4RW3 TDA 0.04395 0.42218 6.84039
15 4LWU 20U 0.01417 0.43841 7.05882
16 5VRH OLB 0.007581 0.47295 7.11744
17 4YSX E23 0.02768 0.43792 8.33333
18 5KDX GAL TNR 0.01839 0.44907 9.12052
19 4HBM 0Y7 0.04603 0.40841 9.16667
20 1O9U ADZ 0.03623 0.43303 9.96441
21 1J78 VDY 0.007887 0.46444 10.3846
22 4UCC ZKW 0.03908 0.42779 11.1588
23 1AUA BOG 0.04938 0.42332 11.7438
24 4OAS 2SW 0.03477 0.40905 13.5417
25 2CB8 MYA 0.0429 0.43005 14.9425
26 1NF8 BOG 0.03542 0.43503 14.9758
27 5OCA 9QZ 0.0003291 0.56537 15
28 3E3U NVC 0.04498 0.4119 15.2284
29 3RET SAL 0.03557 0.41732 16.8317
30 3BZF VAL MET ALA PRO ARG ALA LEU LEU LEU 0.01182 0.40041 19.5876
31 2Y69 CHD 0.04771 0.42382 20.6349
Pocket No.: 2; Query (leader) PDB : 2J8C; Ligand: SPO; Similar sites found: 38
This union binding pocket(no: 2) in the query (biounit: 2j8c.bio1) has 62 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.0145 0.44963 3.27869
2 1TV5 N8E 0.03536 0.44007 3.55872
3 1TV5 A26 0.04304 0.41943 3.55872
4 2WH8 II2 0.02423 0.4371 3.84615
5 3SQP 3J8 0.04916 0.42663 3.84615
6 3HP9 CF1 0.04161 0.43713 4.23077
7 2UXI G50 0.04133 0.40529 4.28571
8 5CHR 4NC 0.04934 0.42522 4.37956
9 3GQT UFO 0.04593 0.41454 4.56026
10 1M2Z BOG 0.01204 0.48297 4.66926
11 2IDO TMP 0.04105 0.42946 4.81928
12 5UGW GSH 0.02654 0.43671 5.14286
13 2YOO K2B 0.03963 0.4062 5.21173
14 1RL4 BL5 0.03391 0.40949 5.31915
15 4JZX 476 0.02932 0.41861 5.38462
16 1TZD ADP 0.03263 0.43476 5.45455
17 4WH9 3M8 0.04366 0.4239 5.46448
18 4JGT PYR 0.03886 0.4238 5.76923
19 4RW3 TDA 0.04395 0.42218 6.84039
20 4LWU 20U 0.01417 0.43841 7.05882
21 5VRH OLB 0.007581 0.47295 7.11744
22 3ZVS MLI 0.04313 0.42674 8.125
23 4YSX E23 0.02768 0.43792 8.33333
24 1JPA ANP 0.02529 0.42341 8.46154
25 5KDX GAL TNR 0.01839 0.44907 9.12052
26 4HBM 0Y7 0.04603 0.40841 9.16667
27 1J78 VDY 0.007887 0.46444 10.3846
28 4UCC ZKW 0.03908 0.42779 11.1588
29 4OAS 2SW 0.02482 0.42559 13.5417
30 2CB8 MYA 0.0429 0.43005 14.9425
31 5OCA 9QZ 0.0003291 0.56537 15
32 3E3U NVC 0.04498 0.4119 15.2284
33 1N8V BDD 0.02401 0.4298 16.0714
34 3RET PYR 0.03557 0.41732 16.8317
35 3RET SAL 0.03557 0.41732 16.8317
36 3BZF VAL MET ALA PRO ARG ALA LEU LEU LEU 0.01182 0.40041 19.5876
37 2Y69 CHD 0.04771 0.42382 20.6349
38 3N7S 3N7 0.03736 0.43554 21.875
Pocket No.: 3; Query (leader) PDB : 2J8C; Ligand: U10; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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