-->
Receptor
PDB id Resolution Class Description Source Keywords
2PFC 2.3 Å NON-ENZYME: OTHER STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS RV0098 MYCOBACTERIUM TUBERCULOSIS TUBERCULOSIS THIOESTERASE VIRULENCE UNKNOWN FUNCTION
Ref.: IDENTIFICATION OF A TYPE III THIOESTERASE REVEALS THE FUNCTION OF AN OPERON CRUCIAL FOR MTB VIRULENCE. CHEM.BIOL. V. 14 543 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLM A:184;
Valid;
none;
submit data
256.424 C16 H32 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PFC 2.3 Å NON-ENZYME: OTHER STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS RV0098 MYCOBACTERIUM TUBERCULOSIS TUBERCULOSIS THIOESTERASE VIRULENCE UNKNOWN FUNCTION
Ref.: IDENTIFICATION OF A TYPE III THIOESTERASE REVEALS THE FUNCTION OF AN OPERON CRUCIAL FOR MTB VIRULENCE. CHEM.BIOL. V. 14 543 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2PFC - PLM C16 H32 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 2PFC - PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5WSY - 7UC C6 H11 N O4 C[C@H](CC(....
2 2PFC - PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLM; 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 : 2PFC; Ligand: PLM; Similar sites found with APoc: 139
This union binding pocket(no: 1) in the query (biounit: 2pfc.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5M36 9SZ None
2 6GNO XDI None
3 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
4 5M37 9SZ None
5 2ET1 GLV None
6 4POJ 2VP None
7 1ZZ7 S0H None
8 4V1F BQ1 None
9 1RDT L79 None
10 2DXU BT5 None
11 4M8E 29V None
12 5TPV TYD None
13 1ZEI CRS None
14 5X3R 7Y3 1.0929
15 3ZPG 5GP 1.0929
16 1GZW GAL BGC 1.49254
17 3F8C HT1 1.5873
18 3U5S FAD 1.5873
19 4XDA ADP 1.63934
20 1WW5 SGA BGC 1.875
21 2UUU PL3 2.18579
22 2UUU FAD 2.18579
23 5GLT BGC GAL NAG GAL 2.18579
24 6C7D EOJ 2.18579
25 1KGI T4A 2.3622
26 5N87 N66 2.73224
27 5DEY 59T 2.73224
28 5F2T PLM 2.73224
29 2V58 LZJ 2.73224
30 1K7L 544 2.73224
31 3GWT 066 2.73224
32 1XMY ROL 2.73224
33 6FA4 D1W 2.89017
34 3WUD GLC GAL 2.94118
35 5WL1 CUY 3.0303
36 4O4Z N2O 3.24675
37 3PE2 E1B 3.27869
38 3MBG FAD 3.59712
39 2D6M LBT 3.77358
40 3BGD PM6 3.82514
41 4ONA UW1 3.82514
42 4ITH RCM 3.82514
43 1KZN CBN 3.82514
44 6MPT C30 3.82514
45 3B9Z CO2 4.12371
46 2ART LPA AMP 4.37158
47 5XVG 8FX 4.37158
48 4HWS 1B3 4.37158
49 5KJW 53C 4.37158
50 1ZPD CIT 4.37158
51 3UH0 TSB 4.37158
52 3T1A 5MA 4.37158
53 1GXO ADA ADA ADA 4.37158
54 5UGW GSH 4.57143
55 4NV1 TYD 4.91803
56 5LYH 7B8 4.91803
57 3BPX SAL 5.40541
58 2TPS TPS 5.46448
59 6CAY ERG 5.91716
60 5U98 1KX 6.01093
61 5OCG 9R5 6.01093
62 1XVB BHL 6.01093
63 4BNU 9KQ 6.01093
64 5TUX ECH 6.01093
65 4XTX 590 6.55738
66 3QUZ QUV 7.07071
67 3G08 FEE 7.07071
68 5EW9 5VC 7.10383
69 4KBA 1QM 7.25076
70 2Y8L AMP 7.51445
71 2Y8L ADP 7.51445
72 4WHZ 3NL 7.65027
73 4F4P 0SB 7.69231
74 1IS3 LAT 8.14815
75 2XMY CDK 8.19672
76 5LX9 OLB 8.19672
77 5L2R MLA 8.19672
78 5F1R 42O 8.19672
79 1TL2 NDG 8.19672
80 4RC8 STE 8.19672
81 6CC0 EWM 8.19672
82 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 8.19672
83 5OLK DTP 8.19672
84 2V92 AMP 8.28025
85 2V92 ATP 8.28025
86 5DRB 5FJ 8.74317
87 5K53 STE 8.74317
88 1OIJ AKG 8.74317
89 1Y0G 8PP 8.74317
90 3ABA FLI 8.74317
91 5IH9 6BF 8.74317
92 5DG2 GAL GLC 8.88889
93 1OQC FAD 9.6
94 3KC1 2T6 9.83607
95 4OJ8 AKG 9.83607
96 2X34 UQ8 9.94475
97 2X32 OTP 10.0559
98 3D78 NBB 10.084
99 4ZU4 4TG 10.1351
100 4TV1 36M 10.3825
101 4CQE CQE 10.3825
102 1LSH PLD 10.3825
103 1SLT NDG GAL 10.4478
104 3DLG GWE 10.929
105 5EOB 5QQ 10.929
106 2CJU PHX 11.5044
107 1A78 TDG 11.9403
108 5K52 OCD 12.0219
109 3RUG DB6 12.2549
110 3RWP ABQ 12.5683
111 1ZED PNP 12.5683
112 3GC8 B45 13.1148
113 2Y69 CHD 13.4021
114 5UR1 YY9 15.3005
115 5HV0 AKG 15.3005
116 5JKG 6LF 15.3005
117 5H2U 1N1 16.3934
118 2HJ3 FAD 16.8
119 5NKB 8ZT 16.9399
120 1R6N 434 17.4863
121 4ASE AV9 17.4863
122 1XX4 BAM 19.1257
123 1M15 ADP 19.1257
124 1M15 ARG 19.1257
125 3G5D 1N1 19.1257
126 2GOO NDG 19.8473
127 4OGQ 7PH 20.5882
128 4CCK OGA 20.765
129 5Z84 CHD 21.4286
130 5ZCO CHD 21.4286
131 5W97 CHD 21.4286
132 4ZGM 32M 22.5806
133 5W7B MYR 23.4973
134 1M2Z BOG 23.8095
135 1L0I PSR 24.359
136 4NKW PLO 27.3224
137 4WG0 CHD 33.3333
138 3VRY B43 36.0656
139 1LNX URI 37.037
Pocket No.: 2; Query (leader) PDB : 2PFC; Ligand: PLM; 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: 2pfc.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback