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Receptor
PDB id Resolution Class Description Source Keywords
5F2T 2.06 Å EC: 2.3.1.- CRYSTAL STRUCTURE OF MEMBRANE ASSOCIATED PATA FROM MYCOBACTE SMEGMATIS IN COMPLEX WITH PALMITATE - C 2 SPACE GROUP MYCOBACTERIUM SMEGMATIS ACYLTRANSFERASE GLYCOLIPID BIOSYNTHESIS TRANSFERASE
Ref.: STRUCTURAL BASIS FOR SELECTIVE RECOGNITION OF ACYL THE MEMBRANE-ASSOCIATED ACYLTRANSFERASE PATA. NAT COMMUN V. 7 10906 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLM A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
256.424 C16 H32 O2 CCCCC...
MG A:402;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5F2T 2.06 Å EC: 2.3.1.- CRYSTAL STRUCTURE OF MEMBRANE ASSOCIATED PATA FROM MYCOBACTE SMEGMATIS IN COMPLEX WITH PALMITATE - C 2 SPACE GROUP MYCOBACTERIUM SMEGMATIS ACYLTRANSFERASE GLYCOLIPID BIOSYNTHESIS TRANSFERASE
Ref.: STRUCTURAL BASIS FOR SELECTIVE RECOGNITION OF ACYL THE MEMBRANE-ASSOCIATED ACYLTRANSFERASE PATA. NAT COMMUN V. 7 10906 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 33 families.
1 5OCE - PLM C16 H32 O2 CCCCCCCCCC....
2 5F31 - PLM C16 H32 O2 CCCCCCCCCC....
3 5F2T - PLM C16 H32 O2 CCCCCCCCCC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 5OCE - PLM C16 H32 O2 CCCCCCCCCC....
2 5F31 - PLM C16 H32 O2 CCCCCCCCCC....
3 5F2T - PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 5OCE - PLM C16 H32 O2 CCCCCCCCCC....
2 5F31 - PLM C16 H32 O2 CCCCCCCCCC....
3 5F2T - 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 : 5F2T; Ligand: PLM; Similar sites found with APoc: 171
This union binding pocket(no: 1) in the query (biounit: 5f2t.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 1UO5 PIH None
3 1ZEI CRS None
4 3KP6 SAL None
5 1LOJ URI None
6 1LOJ U None
7 2WOR 2AN None
8 5T7I LAT NAG GAL None
9 4EKQ NPO 1.06952
10 5MJA 7O3 1.31148
11 6GNF GLC 1.62338
12 6MVU K4V 1.62338
13 6F5W KG1 1.62338
14 3WUR O4B 1.75439
15 5GLT BGC GAL NAG GAL 1.76056
16 5EPA AKG 1.79211
17 4DE2 DN3 1.90114
18 4DE3 DN8 1.90114
19 3BRN SRO 1.91083
20 3W54 RNB 1.94805
21 5EVY SAL 1.94805
22 2XN5 FUN 1.94805
23 5FXD H7Y 1.94805
24 4USF 6UI 1.97368
25 4IAW LIZ 2.12766
26 3WUC GLC GAL 2.18978
27 1IS3 LAT 2.22222
28 5A7Y SAH 2.27273
29 5W0N UPU 2.27273
30 6CB2 OLC 2.38908
31 6D61 4AA 2.5641
32 4IA6 EIC 2.5974
33 4D4U FUC GAL NAG 2.5974
34 4D52 GIV 2.5974
35 1T9D P22 2.5974
36 1OBD AMP 2.61438
37 3THR C2F 2.73038
38 2PFC PLM 2.73224
39 4MGA 27L 2.7451
40 4TV1 36M 2.78884
41 3GUZ PAF 2.84091
42 1JPA ANP 2.92208
43 2HZL PYR 2.92208
44 5JU6 BGC 2.92208
45 1SLT NDG GAL 2.98507
46 1A78 TDG 2.98507
47 6FOF LAT 3.06122
48 3M3E GAL A2G NPO 3.10559
49 5LX9 OLB 3.16901
50 4G86 BNT 3.16901
51 4OKD GLC GLC GLC 3.24675
52 3X01 AMP 3.24675
53 4TWL ASC 3.25203
54 5EZU MYR 3.37079
55 2GQS C2R 3.37553
56 5Y80 IRE 3.37838
57 5X3R 7Y3 3.41463
58 3AI3 SOE 3.42205
59 4V1F BQ1 3.48837
60 2HHP FLC 3.57143
61 3NB0 G6P 3.57143
62 4KYS VIB 3.57143
63 2FOI JPA 3.71747
64 5VGS 9A7 3.82166
65 3AJ6 NGA 3.84615
66 4LSJ LSJ 3.87597
67 2BCG GER 3.8835
68 4H2X G5A 3.8835
69 1M2Z BOG 3.89105
70 2GPT TLA 3.8961
71 4FE2 AIR 3.92157
72 4F4S EFO 3.94737
73 1IGJ DGX 4.10959
74 5KJW 53C 4.22078
75 1SGJ OAA 4.22535
76 3OCP CMP 4.31655
77 5JAX 6J7 4.44444
78 6C0B PAM 4.48718
79 1VHZ APR 4.54545
80 4W6Z ETF 4.54545
81 5TPV TYD 4.57516
82 1FX8 BOG 4.62633
83 3SHR CMP 4.68227
84 2XMY CDK 4.69799
85 4WVW SLT 4.86111
86 4FFG LBS 4.87013
87 4LY9 S6P 4.87013
88 3D9F N6C 4.87013
89 4LY9 1YY 4.87013
90 1IXE CIT 4.87013
91 5NE2 DGL 5.03597
92 1C5C TK4 5.11628
93 3B6C SDN 5.12821
94 4X5S AZM 5.17241
95 3KC1 2T6 5.34125
96 2HRL SIA GAL SIA BGC NGA CEQ 5.51181
97 4LOC OXM 5.51948
98 3SAO NKN 5.625
99 2D6M LBT 5.66038
100 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.78231
101 1T0S BML 5.81395
102 3I51 45C 5.92593
103 2XEM SSV 6
104 3ZXE PGZ 6.01504
105 1EWF PC1 6.14035
106 4H6B 10Y 6.15385
107 4H6B 10X 6.15385
108 3NNT DQA 6.15942
109 4OAS 2SW 6.25
110 1I82 BGC BGC 6.34921
111 3ZO7 K6H 6.38298
112 4OWK NGA 6.52174
113 6GNO XDI 6.66667
114 5OF1 SAL 6.66667
115 4HBM 0Y7 6.66667
116 5EPQ OLA 6.70732
117 1PS6 4TP 6.70732
118 1GHQ NDG 6.71642
119 4RGA 3PV 6.87023
120 3VV1 GAL FUC 6.875
121 6FA4 D1W 6.93642
122 3NV3 GAL NAG MAN 7.24638
123 3WUD GLC GAL 7.35294
124 5LWY OLB 7.56302
125 5C8W PCG 7.69231
126 2ZQO NGA 7.69231
127 4V3I ASP LEU THR ARG PRO 7.7821
128 5AIP 4HP 8.21918
129 4FHT DHB 8.28025
130 1AJ8 CIT 8.44156
131 3FN0 TRP ASN TRP PHE ASP ILE THR ASN LYS 8.49057
132 4UMJ BFQ 8.78378
133 5EOO CIT 9.0566
134 4KU7 PCG 9.15033
135 3QXV MTX 9.52381
136 4URS C2E 9.57447
137 4YSX E23 9.61539
138 4RYV ZEA 9.67742
139 4O4Z N2O 9.74026
140 2QQD AG2 9.82143
141 1MID LAP 9.89011
142 5K21 6QF 9.92908
143 1A27 EST 10.0346
144 3AQT RCO 10.2041
145 3H22 B53 10.4377
146 1Y7P RIP 10.7623
147 2BHW NEX 10.7759
148 2BOY BHO 11.0236
149 4ZBR NPS 11.039
150 5OCG 9R5 11.1111
151 1S9A BEZ 11.6732
152 5VNF VAL THR SER VAL VAL 11.6883
153 4LWU 20U 11.7647
154 4COQ SAN 12.1457
155 1S8G DAO 12.3967
156 2GOO NDG 12.7451
157 2Y91 98J 13.3117
158 6GMN F4E 14.433
159 1TUK PGM 14.9254
160 6DIO CIT 15.5844
161 4OFG PCG 15.9722
162 4JGP PYR 16.2338
163 3NJQ NJQ 17.6166
164 2D5X L35 19.1489
165 5TVF PUT 20
166 5OO5 UUA 20.1613
167 2Y69 CHD 20.6349
168 4OGQ 7PH 23.5294
169 4RJD TFP 24.2424
170 2P7Q GG6 29.3233
171 5DKK FMN 29.6552
Pocket No.: 2; Query (leader) PDB : 5F2T; Ligand: PLM; Similar sites found with APoc: 54
This union binding pocket(no: 2) in the query (biounit: 5f2t.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5IXH OTP 1.86335
2 2XN3 ID8 1.94805
3 5G48 1FL 1.94805
4 5OD2 GLC 1.94805
5 5EOB 5QQ 2.27273
6 3TWO NDP 2.27273
7 1YQD NAP 2.5974
8 3KV4 OGA 2.5974
9 1VBO MAN MAN MAN 2.68456
10 4MG9 27K 2.7451
11 1WUB OTP 2.80899
12 4G7A AZM 2.82258
13 4IMO PWZ 2.84091
14 5B09 4MX 2.88462
15 5OSW DIU 2.92208
16 2VQ5 HBA 2.98507
17 2AGC MYR 3.08642
18 1Y0G 8PP 3.14136
19 4K55 H6P 3.22581
20 3RGA LSB 3.24675
21 2P4Y C03 3.2491
22 4XDA RIB 3.57143
23 5NCB JZ3 3.57143
24 3OF1 CMP 3.65854
25 5DG2 GAL GLC 3.7037
26 3E2M E2M 3.78378
27 3WV6 GAL BGC 4.05405
28 1H82 GZZ 4.22078
29 1H82 FAD 4.22078
30 5L2R MLA 4.22078
31 1ULE GLA GAL NAG 4.66667
32 3D9F FAD 4.87013
33 3PNA CMP 5.19481
34 1PSC EBP 5.51948
35 3WG3 A2G GAL NAG FUC 5.61798
36 5LIA 6XN 5.84416
37 5MZI FYK 5.84416
38 5MZI FAD 5.84416
39 3D91 REM 5.84416
40 2OFV 242 6.85921
41 4X9D U5P 7.04225
42 1RV1 IMZ 7.05882
43 2YMZ LAT 7.69231
44 2FB3 GTP 8.11688
45 5JFS 6K0 8.11688
46 5VC5 96M 8.65052
47 1JXN MFU 9.50413
48 1RJW ETF 10.3896
49 2WEL K88 10.6667
50 4J36 FAD 11.3636
51 4DOO DAO 11.7073
52 1R37 NAD 14.6104
53 4LHD GLY 16.2338
54 4P42 PEE 16.8831
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