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Receptor
PDB id Resolution Class Description Source Keywords
3PXP 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A PAS AND DNA BINDING DOMAIN CONTAINING (CAUR_2278) FROM CHLOROFLEXUS AURANTIACUS J-10-FL AT 2.30 AR ESOLUTION CHLOROFLEXUS AURANTIACUS DNA-BINDING BASIC HELIX-LOOP-HELIX MOTIF BHLH MOTIF LAMBDREPRESSOR-LIKE DNA-BINDING FOLD PER ARNT SIM DOMAIN PAS DPROFILIN-LIKE FOLD TRANSCRIPTION TRANSCRIPTION REGULATIONSTRUCTURAL GENOMICS JOINT CENTER FOR STRUCTURAL GENOMICS PROTEIN STRUCTURE INITIATIVE PSI-BIOLOGY TRANSCRIPTION RE
Ref.: STRUCTURE OF AN MMYB-LIKE REGULATOR FROM C. AURANTI MEMBER OF A NEW TRANSCRIPTION FACTOR FAMILY LINKED ANTIBIOTIC METABOLISM IN ACTINOMYCETES. PLOS ONE V. 7 41359 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:302;
B:306;
C:303;
C:304;
C:305;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
35.453 Cl [Cl-]
EDO A:307;
A:310;
A:311;
A:313;
B:308;
B:312;
B:316;
C:309;
C:314;
C:315;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
MYR A:301;
B:301;
C:301;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
228.371 C14 H28 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PXP 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A PAS AND DNA BINDING DOMAIN CONTAINING (CAUR_2278) FROM CHLOROFLEXUS AURANTIACUS J-10-FL AT 2.30 AR ESOLUTION CHLOROFLEXUS AURANTIACUS DNA-BINDING BASIC HELIX-LOOP-HELIX MOTIF BHLH MOTIF LAMBDREPRESSOR-LIKE DNA-BINDING FOLD PER ARNT SIM DOMAIN PAS DPROFILIN-LIKE FOLD TRANSCRIPTION TRANSCRIPTION REGULATIONSTRUCTURAL GENOMICS JOINT CENTER FOR STRUCTURAL GENOMICS PROTEIN STRUCTURE INITIATIVE PSI-BIOLOGY TRANSCRIPTION RE
Ref.: STRUCTURE OF AN MMYB-LIKE REGULATOR FROM C. AURANTI MEMBER OF A NEW TRANSCRIPTION FACTOR FAMILY LINKED ANTIBIOTIC METABOLISM IN ACTINOMYCETES. PLOS ONE V. 7 41359 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3PXP - MYR C14 H28 O2 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3PXP - MYR C14 H28 O2 CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3PXP - MYR C14 H28 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MYR; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 EW8 1 1
3 TDA 1 1
4 F15 1 1
5 PLM 1 1
6 STE 1 1
7 X90 1 1
8 DAO 1 1
9 KNA 1 1
10 DCR 1 1
11 F23 1 1
12 11A 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 OLA 0.71875 0.954545
21 NER 0.71875 0.954545
22 VCA 0.666667 0.954545
23 PAM 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EIC 0.538462 0.913043
35 EOD 0.538462 0.7
36 D0G 0.5 0.954545
37 BMJ 0.5 0.954545
38 BNV 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 HXD 0.459459 0.807692
43 56S 0.459459 0.653846
44 ODT 0.452381 0.782609
45 3X1 0.444444 0.818182
46 LNL 0.44186 0.826087
47 9J6 0.441176 0.666667
48 OOA 0.441176 0.76
49 CUY 0.435897 0.68
50 6UL 0.435897 0.68
51 CNS 0.435897 0.68
52 5UF 0.432432 0.807692
53 243 0.428571 0.807692
54 1QW 0.418605 0.606061
55 GYM 0.418605 0.606061
56 O8N 0.413793 0.75
57 1DO 0.413793 0.75
58 PL3 0.413793 0.75
59 OC9 0.413793 0.75
60 DE1 0.413793 0.75
61 F09 0.413793 0.75
62 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PXP; Ligand: MYR; Similar sites found with APoc: 35
This union binding pocket(no: 1) in the query (biounit: 3pxp.bio5) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 6F7X MFU None
2 1OT6 HC4 None
3 5EY0 GTP 1.45985
4 6C0B PAM 1.71233
5 1T27 PCW 1.84502
6 4I4B NAD 2.05479
7 2DC1 CIT 2.11864
8 1F1V DHY 2.39726
9 2DHC DCE 2.39726
10 5J32 IPM 2.39726
11 4W93 3L9 2.39726
12 1PIG AGL GLC HMC AGL GLC BGC 2.39726
13 5F5N 5VD 2.42215
14 3GZ9 D32 2.60223
15 1VJ7 GPX 2.73973
16 3X01 AMP 3.08219
17 3TDC 0EU 3.42466
18 3QDK QDK 3.42466
19 2YPO PHE 3.76712
20 3BJC WAN 4.10959
21 4LHD GLY 4.10959
22 4WZ8 3W7 4.10959
23 5WBF LAC 4.44444
24 1K7L 544 4.51389
25 1T0S BML 4.65116
26 2OZ5 7XY 5.06757
27 5W7B MYR 5.82192
28 3LA3 2FT 7.40741
29 3LN0 52B 7.87671
30 5LX9 OLB 8.80282
31 2IMG MLT 9.27152
32 5C1M OLC 9.6
33 4WVO 3UZ 10.4972
34 5UR6 8KM 10.4972
35 2BTM PGA 11.5079
Pocket No.: 2; Query (leader) PDB : 3PXP; Ligand: MYR; 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: 3pxp.bio5) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3PXP; Ligand: MYR; 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: 3pxp.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3PXP; Ligand: MYR; Similar sites found with APoc: 18
This union binding pocket(no: 4) in the query (biounit: 3pxp.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1MID LAP None
2 4CSD MFU 1.47059
3 5BYK OAQ 1.9305
4 5BYK A3P 1.9305
5 4YDQ HFG 2.05479
6 4YDQ ANP 2.05479
7 1OFZ FUC 2.73973
8 1OFZ FUL 2.73973
9 5E7V M7E 3.42466
10 3KP6 SAL 3.97351
11 5XWV 8H6 4.10959
12 5XWV NDP 4.10959
13 1H16 DTL 6.50685
14 5ODQ 9SB 7.85714
15 6CGZ HL6 10.6383
16 4URG C2E 12.5749
17 2XKO AKG 14.6067
18 2O5L MNR 24.8366
Pocket No.: 5; Query (leader) PDB : 3PXP; Ligand: MYR; Similar sites found with APoc: 10
This union binding pocket(no: 5) in the query (biounit: 3pxp.bio4) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1RJW ETF 1.71233
2 1A05 IPM 2.39726
3 4UMJ BFQ 4.10959
4 3SHZ 5CO 4.10959
5 3KMZ EQO 4.13534
6 2P9H IPT 4.46097
7 4AF5 CIT 4.73684
8 2WT9 NIO 5.53191
9 1KJ1 MAN 9.17431
10 1N8V BDD 16.0714
Pocket No.: 6; Query (leader) PDB : 3PXP; Ligand: MYR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3pxp.bio4) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3PXP; Ligand: MYR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3pxp.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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