Receptor
PDB id Resolution Class Description Source Keywords
5NJ4 2.4 Å NON-ENZYME: OTHER FROM MACROCRYSTALS TO MICROCRYSTALS: A STRATEGY FOR MEMBRANE SERIAL CRYSTALLOGRAPHY BLASTOCHLORIS VIRIDIS MEMBRANE PHOTOSYNTHETIC WILD-TYPE XFEL MEMBRANE PROTEIN
Ref.: FROM MACROCRYSTALS TO MICROCRYSTALS: A STRATEGY FOR PROTEIN SERIAL CRYSTALLOGRAPHY. STRUCTURE V. 25 1461 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LDA M:415;
H:701;
M:416;
L:304;
M:414;
H:706;
H:707;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
229.402 C14 H31 N O CCCCC...
DGA C:405;
Invalid;
none;
submit data
625.018 C39 H76 O5 CCCCC...
SO4 C:408;
M:411;
M:412;
M:410;
H:704;
H:705;
C:407;
M:408;
M:409;
M:407;
H:702;
M:413;
H:703;
C:406;
M:406;
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;
submit data
96.063 O4 S [O-]S...
FE2 L:306;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
BCB M:402;
L:302;
L:301;
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/...
HTO L:305;
H:708;
H:709;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
148.2 C7 H16 O3 CCCC[...
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...
BPB L:303;
M:404;
Part of Protein;
Part of Protein;
none;
none;
submit data
887.199 C55 H74 N4 O6 C/C=C...
MQ7 M:401;
Valid;
none;
submit data
648.999 C46 H64 O2 CC1=C...
NS5 M:405;
Invalid;
none;
submit data
540.904 C40 H60 CC(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: MQ7; 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
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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