Receptor
PDB id Resolution Class Description Source Keywords
1VRN 2.2 Å NON-ENZYME: OTHER PHOTOSYNTHETIC REACTION CENTER BLASTOCHLORIS VIRIDIS (ATCC) BLASTOCHLORIS VIRIDIS INTEGRAL MEMBRANE PROTEIN; UBIQUINONE; SECONDARY QUINONE (QBPHOTOSYNTHESIS
Ref.: CRYOGENIC STRUCTURE OF THE PHOTOSYNTHETIC REACTION BLASTOCHLORIS VIRIDIS IN THE LIGHT AND DARK. ACTA CRYSTALLOGR.,SECT.D V. 61 605 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BCB L:402;
L:404;
M:401;
M:403;
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:406;
M:405;
Part of Protein;
Part of Protein;
none;
none;
submit data
887.199 C55 H74 N4 O6 C/C=C...
FE2 M:500;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
HEM 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
616.487 C34 H32 Fe N4 O4 Cc1c2...
LDA H:701;
H:703;
L:702;
L:706;
M:704;
M:705;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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 H:802;
H:806;
H:807;
M:801;
M:803;
M:804;
M:805;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
UQ7 L:502;
Valid;
none;
submit data
658.992 C44 H66 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 1443 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 1205 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 1039 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 UQ 0.552239 0.710526
4 U10 0.552239 0.710526
5 UQ7 0.552239 0.710526
6 UQ5 0.552239 0.684211
7 UQ9 0.552239 0.710526
8 UQ8 0.552239 0.710526
9 UQ2 0.492537 0.657895
10 8PP 0.447761 0.742857
Ligand no: 2; Ligand: UQ7; 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 : 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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