Receptor
PDB id Resolution Class Description Source Keywords
3PMD 1.76 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE SPORULATION INHIBITOR PXO1-118 FROM ANTHRACIS BACILLUS ANTHRACIS GLOBIN FOLD NON-HEME GLOBIN SPORULATION BACILLUS ANTHRACISENSOR DOMAIN CHLORIDE COORDINATION FATTY ACID-BINDING PRLIPID BINDING PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO INHIBITION OF BACILLUS ANT SPORULATION BY A NOVEL CLASS OF NON-HEME GLOBIN SEN DOMAINS. J.BIOL.CHEM. V. 286 8448 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
11A A:151;
Valid;
none;
submit data
186.291 C11 H22 O2 CCCCC...
CL A:152;
Invalid;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PMD 1.76 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE SPORULATION INHIBITOR PXO1-118 FROM ANTHRACIS BACILLUS ANTHRACIS GLOBIN FOLD NON-HEME GLOBIN SPORULATION BACILLUS ANTHRACISENSOR DOMAIN CHLORIDE COORDINATION FATTY ACID-BINDING PRLIPID BINDING PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO INHIBITION OF BACILLUS ANT SPORULATION BY A NOVEL CLASS OF NON-HEME GLOBIN SEN DOMAINS. J.BIOL.CHEM. V. 286 8448 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3PMD - 11A C11 H22 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 1331 families.
1 3PMD - 11A C11 H22 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 1144 families.
1 3PMD - 11A C11 H22 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 11A; Similar ligands found: 64
No: Ligand ECFP6 Tc MDL keys Tc
1 PLM 1 1
2 STE 1 1
3 MYR 1 1
4 TDA 1 1
5 F23 1 1
6 DAO 1 1
7 X90 1 1
8 DCR 1 1
9 KNA 1 1
10 11A 1 1
11 EW8 1 1
12 F15 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 NER 0.71875 0.954545
21 OLA 0.71875 0.954545
22 PAM 0.666667 0.954545
23 VCA 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 EOD 0.538462 0.7
35 EIC 0.538462 0.913043
36 BMJ 0.5 0.954545
37 BNV 0.5 0.954545
38 D0G 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 56S 0.459459 0.653846
43 HXD 0.459459 0.807692
44 T4T 0.459459 0.8
45 ODT 0.452381 0.782609
46 3X1 0.444444 0.818182
47 LNL 0.44186 0.826087
48 9J6 0.441176 0.666667
49 OOA 0.441176 0.76
50 CUY 0.435897 0.68
51 CNS 0.435897 0.68
52 6UL 0.435897 0.68
53 5UF 0.432432 0.807692
54 243 0.428571 0.807692
55 EKG 0.418605 0.606061
56 GYM 0.418605 0.606061
57 1QW 0.418605 0.606061
58 OC9 0.413793 0.75
59 PL3 0.413793 0.75
60 F09 0.413793 0.75
61 DE1 0.413793 0.75
62 1DO 0.413793 0.75
63 O8N 0.413793 0.75
64 T25 0.403846 0.677419
Similar Ligands (3D)
Ligand no: 1; Ligand: 11A; Similar ligands found: 18
No: Ligand Similarity coefficient
1 U4G 0.9437
2 Q9C 0.9408
3 GC7 0.9372
4 DXJ 0.9008
5 TER 0.8984
6 9OD 0.8973
7 SPM 0.8971
8 XS6 0.8953
9 5D4 0.8941
10 SS9 0.8916
11 Y39 0.8807
12 O48 0.8787
13 OKS 0.8786
14 HZZ 0.8703
15 D10 0.8686
16 HRG 0.8656
17 8AC 0.8599
18 ALY 0.8594
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PMD; Ligand: 11A; 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: 3pmd.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3PMD; Ligand: 11A; 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: 3pmd.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback