-->
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 1443 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 1205 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 1039 families.
1 3PMD - 11A C11 H22 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 11A; 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 : 3PMD; Ligand: 11A; Similar sites found with APoc: 97
This union binding pocket(no: 1) in the query (biounit: 3pmd.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZGM 32M None
2 1UO4 PIH None
3 1UO5 PIH None
4 3TL1 JRO None
5 1UOU CMU None
6 5UGW GSH None
7 2GBB CIT 1.30719
8 1BGQ RDC 1.30719
9 3RIY NAD 1.30719
10 4E2J MOF 1.30719
11 5UFS 1TA 1.30719
12 2NNQ T4B 1.52672
13 3FUR Z12 1.96078
14 1FL2 FAD 1.96078
15 4WRI OKA 1.96078
16 4POJ 2VP 1.96078
17 4M8E 29V 1.96078
18 3KP6 SAL 1.98676
19 5WIU AQD 2.1327
20 5L7G 6QE 2.61438
21 5MWY YNU 2.61438
22 5HCV 60R 2.61438
23 5TWB FAD 3.26797
24 1R6N 434 3.92157
25 5WB6 9ZM 3.92157
26 6CB2 OLC 3.92157
27 5MZI FYK 3.92157
28 3B9Z CO2 3.92157
29 1QV1 CZH 3.92157
30 2C2A ADP 3.92157
31 5IM3 DTP 4.57516
32 2HKJ RDC 4.57516
33 2UW1 GVM 4.57516
34 4O4K 2PK 4.57516
35 4B7P 9UN 4.57516
36 4P6X HCY 5.22876
37 1JNQ EGT 5.22876
38 1ZDT PEF 5.22876
39 5W7B MYR 5.88235
40 1SR7 MOF 5.88235
41 5NM7 GLY 5.88235
42 1XZ3 ICF 5.88235
43 4NKW PLO 5.88235
44 1G2N EPH 5.88235
45 4QAG F95 6.01504
46 3K9W ADE 6.53595
47 3K9W 4PS 6.53595
48 5CX6 CDP 6.53595
49 5D9J 0N8 7.18954
50 1Q7E MET 7.18954
51 2VVL FAD 7.18954
52 2D5X L35 7.84314
53 4M4Q 21A 7.84314
54 4B6C B5U 7.84314
55 4YKG FAD 7.84314
56 1ZDQ MSM 7.84314
57 5K7K 6RJ 7.84314
58 2ZKJ ADP 8.49673
59 3RUV ANP 8.49673
60 4TV1 36M 8.49673
61 4MG7 27H 8.49673
62 2QE4 JJ3 8.49673
63 3RUG DB6 9.15033
64 1ZED PNP 9.15033
65 3SCM LGN 9.15033
66 4OGQ 1O2 9.15033
67 3G08 FEE 9.15033
68 6MVU K4V 9.15033
69 4NAT 2W5 9.80392
70 4NAT ADP 9.80392
71 5HSA FAS 9.80392
72 5J6A P46 10.4575
73 1ZPD CIT 10.4575
74 5LX9 OLB 11.1111
75 5LX9 OLA 11.1111
76 5LWY OLA 11.1111
77 3F8C HT1 11.1111
78 2I0G I0G 11.7647
79 1U3R 338 11.7647
80 2YJD YJD 11.7647
81 3CX5 SMA 14.0187
82 1EZV SMA 14.0187
83 5OLK DTP 15.0327
84 1MID LAP 15.3846
85 5LJ0 6XX 15.3846
86 4YNU LGC 16.3399
87 3N7S 3N7 16.6667
88 1ZDU P3A 16.9935
89 1YOK P6L 16.9935
90 1YUC EPH 16.9935
91 2Y69 CHD 18.75
92 5W97 CHD 26.7857
93 5Z84 CHD 26.7857
94 5ZCO CHD 26.7857
95 1FM9 9CR 32
96 3GN8 DEX 33.3333
97 1M2Z DEX 33.3333
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