Receptor
PDB id Resolution Class Description Source Keywords
3T6E 1.92 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE REACTION CENTRE FROM BLASTOCHLORIS STRAIN DSM 133 (ATCC 19567) SUBSTRAIN-94 BLASTOCHLORIS VIRIDIS PIGMENT-PROTEIN COMPLEX ELECTRON TRANSFER PHOTOSYNTHESIS PHOTOSYNTHETIC REACTION CENTER PHOTOSYNTHETIC MEMBRANES EGENETIC DRIFT ELECTRON TRANSPORT
Ref.: NEW INSIGHTS INTO THE STRUCTURE OF THE REACTION CEN BLASTOCHLORIS VIRIDIS: EVOLUTION IN THE LABORATORY. BIOCHEM.J. V. 442 27 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BCB L:400;
L:401;
M:400;
M:401;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
909.488 C55 H72 Mg N4 O6 CC=C/...
BPB L:402;
M:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
887.199 C55 H74 N4 O6 C/C=C...
DGA C:730;
H:733;
L:731;
M:732;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
625.018 C39 H76 O5 CCCCC...
FE2 M:500;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
GOL C:350;
C:351;
C:352;
C:353;
C:354;
C:355;
C:356;
C:357;
C:358;
C:359;
C:360;
C:361;
C:362;
C:363;
C:364;
C:365;
H:269;
H:270;
H:271;
H:272;
H:273;
H:274;
H:275;
H:276;
H:277;
H:278;
H:279;
L:276;
L:277;
L:278;
L:279;
L:280;
L:281;
L:282;
M:333;
M:334;
M:335;
M:336;
M:337;
M:338;
M:339;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
HEC C:401;
C:402;
C:403;
C:404;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
618.503 C34 H34 Fe N4 O4 CC=C1...
HTO C:348;
C:349;
H:266;
H:267;
H:268;
L:274;
L:275;
M:332;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
148.2 C7 H16 O3 CCCC[...
LDA C:712;
C:722;
H:701;
H:707;
H:718;
H:719;
H:721;
L:703;
L:708;
L:709;
L:720;
M:702;
M:704;
M:705;
M:706;
M:715;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
229.402 C14 H31 N O CCCCC...
MQ9 M:501;
Valid;
none;
submit data
785.233 C56 H80 O2 CC1=C...
NS5 M:600;
Invalid;
none;
submit data
540.904 C40 H60 CC(C)...
SO4 C:337;
C:338;
C:339;
C:340;
C:341;
C:342;
C:343;
C:344;
C:345;
C:346;
C:347;
H:259;
H:260;
H:261;
H:262;
H:263;
H:264;
H:265;
M:324;
M:325;
M:326;
M:327;
M:328;
M:329;
M:330;
M:331;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
UQ9 L:502;
L:503;
Valid;
Valid;
none;
none;
submit data
795.226 C54 H82 O4 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3T6E 1.92 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE REACTION CENTRE FROM BLASTOCHLORIS STRAIN DSM 133 (ATCC 19567) SUBSTRAIN-94 BLASTOCHLORIS VIRIDIS PIGMENT-PROTEIN COMPLEX ELECTRON TRANSFER PHOTOSYNTHESIS PHOTOSYNTHETIC REACTION CENTER PHOTOSYNTHETIC MEMBRANES EGENETIC DRIFT ELECTRON TRANSPORT
Ref.: NEW INSIGHTS INTO THE STRUCTURE OF THE REACTION CEN BLASTOCHLORIS VIRIDIS: EVOLUTION IN THE LABORATORY. BIOCHEM.J. V. 442 27 2012
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 3G7F - MQ9 C56 H80 O2 CC1=C(C(=O....
2 2JBL - MQ7 C46 H64 O2 CC1=C(C(=O....
3 3T6D - MQ9 C56 H80 O2 CC1=C(C(=O....
4 1VRN - MQ9 C56 H80 O2 CC1=C(C(=O....
5 5NJ4 - MQ7 C46 H64 O2 CC1=C(C(=O....
6 3T6E - MQ9 C56 H80 O2 CC1=C(C(=O....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 3G7F - MQ9 C56 H80 O2 CC1=C(C(=O....
2 2JBL - MQ7 C46 H64 O2 CC1=C(C(=O....
3 3T6D - MQ9 C56 H80 O2 CC1=C(C(=O....
4 1VRN - MQ9 C56 H80 O2 CC1=C(C(=O....
5 5NJ4 - MQ7 C46 H64 O2 CC1=C(C(=O....
6 3T6E - MQ9 C56 H80 O2 CC1=C(C(=O....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 3G7F - MQ9 C56 H80 O2 CC1=C(C(=O....
2 2JBL - MQ7 C46 H64 O2 CC1=C(C(=O....
3 3T6D - MQ9 C56 H80 O2 CC1=C(C(=O....
4 1VRN - MQ9 C56 H80 O2 CC1=C(C(=O....
5 5NJ4 - MQ7 C46 H64 O2 CC1=C(C(=O....
6 3T6E - MQ9 C56 H80 O2 CC1=C(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MQ9; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 MQ7 1 1
2 MQ9 1 1
3 U10 0.552239 0.710526
4 UQ8 0.552239 0.710526
5 UQ7 0.552239 0.710526
6 UQ 0.552239 0.710526
7 UQ5 0.552239 0.684211
8 UQ9 0.552239 0.710526
9 UQ2 0.492537 0.657895
10 8PP 0.447761 0.742857
Ligand no: 2; Ligand: UQ9; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3T6E; Ligand: UQ9; 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: 3t6e.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3T6E; Ligand: MQ9; 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: 3t6e.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3T6E; Ligand: UQ9; 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: 3t6e.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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