Receptor
PDB id Resolution Class Description Source Keywords
2IBZ 2.3 Å EC: 1.10.2.2 YEAST CYTOCHROME BC1 COMPLEX WITH STIGMATELLIN SACCHAROMYCES CEREVISIAE MULTISUBUNIT MEMBRANE PROTEIN COMPLEX OXIDOREDUCTASE
Ref.: A COMPARISON OF STIGMATELLIN CONFORMATIONS, FREE AND BOUND TO THE PHOTOSYNTHETIC REACTION CENTER AND THE CYTOCHROME BC(1) COMPLEX. J.MOL.BIOL. V. 368 197 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FES E:4;
Part of Protein;
none;
submit data
175.82 Fe2 S2 S1[Fe...
HEM C:401;
C:402;
D:3;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
SMA C:505;
Valid;
none;
submit data
514.65 C30 H42 O7 C/C=C...
UQ6 C:506;
Valid;
none;
submit data
592.891 C39 H60 O4 Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2IBZ 2.3 Å EC: 1.10.2.2 YEAST CYTOCHROME BC1 COMPLEX WITH STIGMATELLIN SACCHAROMYCES CEREVISIAE MULTISUBUNIT MEMBRANE PROTEIN COMPLEX OXIDOREDUCTASE
Ref.: A COMPARISON OF STIGMATELLIN CONFORMATIONS, FREE AND BOUND TO THE PHOTOSYNTHETIC REACTION CENTER AND THE CYTOCHROME BC(1) COMPLEX. J.MOL.BIOL. V. 368 197 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2IBZ - SMA C30 H42 O7 C/C=C(C)/C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2IBZ - SMA C30 H42 O7 C/C=C(C)/C....
2 1EZV - SMA C30 H42 O7 C/C=C(C)/C....
3 1P84 - DBT C14 H17 N O3 S CCCCCCCC1=....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2IBZ - SMA C30 H42 O7 C/C=C(C)/C....
2 1EZV - SMA C30 H42 O7 C/C=C(C)/C....
3 1P84 - DBT C14 H17 N O3 S CCCCCCCC1=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SMA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SMA 1 1
Ligand no: 2; Ligand: UQ6; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 UQ6 1 1
2 UQ 0.449275 0.780488
3 UQ9 0.449275 0.780488
4 UQ5 0.449275 0.756098
5 UQ8 0.449275 0.780488
6 U10 0.449275 0.780488
7 UQ7 0.449275 0.780488
8 8PP 0.409091 0.769231
9 RNB 0.408451 0.711111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2IBZ; Ligand: SMA; Similar sites found: 30
This union binding pocket(no: 1) in the query (biounit: 2ibz.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SZO CAX 0.03364 0.40097 8.94942
2 5AZC PGT 0.01385 0.42441 10.2362
3 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.02095 0.42224 10.6061
4 2MAS PIR 0.01243 0.40273 12.5984
5 4XCP PLM 0.0006974 0.48845 14.8649
6 4LWU 20U 0.01154 0.4078 14.8649
7 1GEG GLC 0.01401 0.44184 14.8936
8 4V3I ASP LEU THR ARG PRO 0.003545 0.45929 14.9533
9 1J78 VDY 0.02317 0.40452 16.2162
10 3ZJQ NCA 0.02888 0.40736 17.3228
11 4S00 AKR 0.03051 0.40213 17.5676
12 2Z77 NCA 0.008775 0.43069 17.757
13 1RL4 BL5 0.02263 0.40053 18.1818
14 4UCC ZKW 0.02916 0.40276 18.4549
15 1NT4 G1P 0.02973 0.40032 18.9189
16 3KP6 SAL 0.01196 0.42965 19.2053
17 1L0I PSR 0.01184 0.43358 19.2308
18 2IZ1 ATR 0.02021 0.41523 20.4724
19 3KO0 TFP 0.0457 0.40001 20.7921
20 5V4R MGT 0.01056 0.43697 22.2222
21 2QQC AG2 0.0275 0.40688 24.1071
22 2QQD AG2 0.03034 0.40256 24.1071
23 1GUI BGC BGC BGC BGC BGC BGC 0.03163 0.4016 24.2424
24 3ANY 2A3 0.01538 0.41989 25.2336
25 3Q8G PEE 0.02405 0.40003 25.9843
26 1AUA BOG 0.01922 0.41294 27.027
27 3RV5 DXC 0.0002343 0.48392 28.0899
28 2VDY HCY 0.0009014 0.48599 28.3465
29 2Q8H TF4 0.008503 0.43147 31.8182
30 2VWA PTY 0.0139 0.43154 37.6238
Pocket No.: 2; Query (leader) PDB : 2IBZ; Ligand: UQ6; Similar sites found: 28
This union binding pocket(no: 2) in the query (biounit: 2ibz.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3L1N PLM 0.007588 0.42887 5.15464
2 3CGD FAD 0.03599 0.41202 9.72973
3 3CGD COA 0.03599 0.41202 9.72973
4 3CGD NAD 0.03599 0.41202 9.72973
5 5CSD ACD 0.01033 0.41081 10.0629
6 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.008866 0.43507 10.6061
7 3B9Z CO2 0.02895 0.4211 10.8108
8 4FFG LBS 0.01909 0.41957 13.6364
9 3R9V DXC 0.002342 0.42598 14.3357
10 4V3I ASP LEU THR ARG PRO 0.03435 0.40131 14.9533
11 3TDC 0EU 0.001524 0.46778 16.6667
12 4OYA 1VE 0.02785 0.40992 17.3228
13 2Z7I 742 0.04614 0.40146 17.3228
14 5TIV A3P 0.01994 0.40361 18.0851
15 1RL4 BL5 0.02256 0.41694 18.1818
16 1L0I PSR 0.003794 0.45463 19.2308
17 3AQT RCO 0.01193 0.42567 20.4724
18 3KO0 TFP 0.02322 0.40555 20.7921
19 5V4R MGT 0.01655 0.42374 22.2222
20 1BZL FAD 0.04023 0.41578 23.622
21 1NF8 BOG 0.006259 0.44343 27.027
22 2AMV BIN 0.02137 0.40872 27.027
23 4M51 BEZ 0.01605 0.40021 28.7234
24 1TV5 N8E 0.004362 0.45629 32.4324
25 2AX9 BHM 0.01963 0.4021 32.4324
26 2DYR PGV 0.01479 0.40478 34.0426
27 2VWA PTY 0.009326 0.42809 37.6238
28 1M2Z BOG 0.0066 0.4614 42.8571
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