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 (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 5F31 - PLM C16 H32 O2 CCCCCCCCCC....
2 5F2T - PLM C16 H32 O2 CCCCCCCCCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 5F31 - PLM C16 H32 O2 CCCCCCCCCC....
2 5F2T - 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 24 families.
1 5F31 - PLM C16 H32 O2 CCCCCCCCCC....
2 5F2T - PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLM; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 F23 1 1
3 11A 1 1
4 STE 1 1
5 KNA 1 1
6 TDA 1 1
7 DCR 1 1
8 DAO 1 1
9 DKA 1 1
10 PLM 1 1
11 F15 1 1
12 OCA 0.956522 1
13 SHV 0.833333 0.952381
14 KTC 0.793103 0.875
15 AZ1 0.73913 0.64
16 6NA 0.72 0.904762
17 NER 0.71875 0.954545
18 OLA 0.71875 0.954545
19 ELA 0.71875 0.954545
20 VCA 0.666667 0.954545
21 PAM 0.666667 0.954545
22 PML 0.625 0.6
23 3LA 0.606061 0.8
24 LEA 0.6 0.809524
25 MYZ 0.588235 0.909091
26 12H 0.586207 0.615385
27 ODD 0.567568 0.913043
28 BRC 0.566667 0.666667
29 14V 0.555556 0.740741
30 M12 0.545455 0.869565
31 14U 0.542857 0.703704
32 EIC 0.538462 0.913043
33 EOD 0.538462 0.7
34 BUA 0.48 0.666667
35 RCL 0.468085 0.84
36 HXD 0.459459 0.807692
37 56S 0.459459 0.653846
38 ODT 0.452381 0.782609
39 3X1 0.444444 0.818182
40 LNL 0.44186 0.826087
41 CNS 0.435897 0.68
42 6UL 0.435897 0.68
43 5UF 0.432432 0.807692
44 243 0.428571 0.807692
45 GYM 0.418605 0.606061
46 PL3 0.413793 0.75
47 O8N 0.413793 0.75
48 1DO 0.413793 0.75
49 F09 0.413793 0.75
50 OC9 0.413793 0.75
51 DE1 0.413793 0.75
52 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: 44
This union binding pocket(no: 1) in the query (biounit: 5f2t.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KP6 SAL 0.01399 0.41868 None
2 5IXH OTP 0.01458 0.40992 1.86335
3 4USF 6UI 0.001747 0.40724 1.97368
4 4IAW LIZ 0.01331 0.41185 2.12766
5 5EOB 5QQ 0.01423 0.41785 2.27273
6 4IGH ORO 0.03602 0.40564 2.27273
7 4IGH FMN 0.03602 0.40564 2.27273
8 4IGH 1EA 0.03602 0.40564 2.27273
9 3TWO NDP 0.01352 0.40552 2.27273
10 1T9D P22 0.02749 0.40012 2.5974
11 5LX9 OLB 0.005125 0.41918 3.16901
12 1M2Z BOG 0.0368 0.41998 3.89105
13 5BNS 4VM 0.009056 0.40206 3.8961
14 5BR7 FAD 0.0435 0.40044 3.8961
15 1H82 FAD 0.02376 0.41006 4.22078
16 1H82 GZZ 0.02767 0.41006 4.22078
17 4M0R 644 0.01941 0.40504 4.22164
18 3VBK 0FX 0.02675 0.4002 4.39024
19 4MNS 2AX 0.02115 0.40662 4.40252
20 2XMY CDK 0.01372 0.42484 4.69799
21 4FFG LBS 0.004418 0.43736 4.87013
22 3D9F N6C 0.008214 0.42916 4.87013
23 3D9F FAD 0.008214 0.42916 4.87013
24 4LY9 S6P 0.01382 0.41532 4.87013
25 2GJ5 VD3 0.01705 0.40197 4.93827
26 3WYJ H78 0.02442 0.4133 5.5336
27 3SAO NKN 0.0009941 0.40436 5.625
28 5MZI FYK 0.0317 0.40594 5.84416
29 5MZI FAD 0.03077 0.40594 5.84416
30 1EWF PC1 0.009755 0.41608 6.14035
31 4TWP AXI 0.02755 0.41075 6.27306
32 5EPQ OLA 0.000959 0.42266 6.70732
33 2OFV 242 0.007946 0.41486 6.85921
34 5JFS 6K0 0.01313 0.40917 8.11688
35 2FB3 GTP 0.009982 0.40435 8.11688
36 5EOO CIT 0.03066 0.40575 9.0566
37 3HDY GDU 0.02707 0.4099 9.74026
38 3HDY FAD 0.03431 0.40549 9.74026
39 3HDY FDA 0.03801 0.40391 9.74026
40 2QQD AG2 0.02442 0.40278 9.82143
41 3BU1 HSM 0.01269 0.40128 10.8108
42 5NBW 8SK 0.01129 0.40709 11.7117
43 4LWU 20U 0.01107 0.40367 11.7647
44 2Y91 98J 0.02626 0.41146 13.3117
Pocket No.: 2; Query (leader) PDB : 5F2T; Ligand: PLM; Similar sites found: 62
This union binding pocket(no: 2) in the query (biounit: 5f2t.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3U7S 017 0.01277 0.40369 None
2 3GGU 017 0.01716 0.40188 None
3 3NWQ 2NC 0.01937 0.40067 None
4 3FSM 2NC 0.02051 0.40525 1.47783
5 4QJP V1F 0.01255 0.40404 1.90114
6 4XV1 904 0.00877 0.42068 2.27273
7 4CQE CQE 0.006081 0.41365 2.27273
8 3LN0 52B 0.0187 0.41222 2.27273
9 5HGR 45D 0.01645 0.40987 2.27273
10 2ZYI STE 0.01533 0.40002 2.27273
11 5HA0 LTD 0.001812 0.44453 2.5641
12 1YQD NAP 0.008745 0.42192 2.5974
13 4MO2 FAD 0.01934 0.41055 2.5974
14 4MO2 FDA 0.01993 0.40894 2.5974
15 2X34 UQ8 0.0264 0.40999 2.76243
16 4BKJ STI 0.0119 0.40512 2.92208
17 1Y0G 8PP 0.01553 0.41803 3.14136
18 2X32 OTP 0.01873 0.41744 3.35196
19 2ZKJ ADP 0.02386 0.40608 3.57143
20 3OF1 CMP 0.005718 0.41955 3.65854
21 3E2M E2M 0.03101 0.41164 3.78378
22 4LSJ LSJ 0.008647 0.40669 3.87597
23 5IH9 6BF 0.02202 0.40376 3.8961
24 1PN0 IPH 0.04513 0.40053 3.8961
25 3RUU 37G 0.01537 0.40413 3.93013
26 4XB4 45D 0.01125 0.40313 3.94737
27 5ML3 DL3 0.01876 0.40921 4.02685
28 4YHQ G10 0.01892 0.40585 4.0404
29 3FAL LO2 0.01177 0.41216 4.13223
30 3QCQ 3Q0 0.009515 0.45231 4.22078
31 3MKH FAD 0.02133 0.40548 4.22078
32 4P6X HCY 0.009448 0.40319 4.31373
33 5BU3 4W9 0.006707 0.41172 4.34783
34 3VBK COA 0.02029 0.4123 4.39024
35 5DRB 5FJ 0.02558 0.40904 4.46735
36 2QZT PLM 0.00969 0.41354 4.5045
37 1KGI T4A 0.01162 0.40408 4.72441
38 5EW9 5VC 0.03582 0.4275 4.79705
39 4YZC STU 0.008647 0.42442 4.87013
40 4LY9 1YY 0.02045 0.4179 4.87013
41 4GJ3 0XP 0.001824 0.4504 4.96689
42 3SXF BK5 0.004568 0.43539 5.19481
43 3G5D 1N1 0.01601 0.4255 5.59441
44 2GU8 796 0.02974 0.41187 5.84416
45 3D91 REM 0.04279 0.4083 5.84416
46 4OAS 2SW 0.006204 0.40958 6.25
47 4HBM 0Y7 0.00322 0.41818 6.66667
48 5EYK 5U5 0.009318 0.41296 6.77966
49 5HCY 60D 0.02467 0.4081 7.14286
50 5HES 032 0.005642 0.41686 7.49186
51 4WT2 3UD 0.01001 0.41289 7.61905
52 2NNQ T4B 0.0261 0.40321 8.39695
53 3VZS CAA 0.04609 0.40894 8.56031
54 3VZS NAP 0.0267 0.40894 8.56031
55 4C2V YJA 0.007121 0.42118 9.09091
56 3E7O 35F 0.007667 0.42097 10.0649
57 4ZOM 4Q3 0.03149 0.42035 10.2222
58 2VZZ SCA 0.01636 0.40414 10.5505
59 5U98 1KX 0.02298 0.40782 17.1717
60 3VHE 42Q 0.01411 0.40718 18.1818
61 5OO5 UUA 0.003029 0.41936 20.1613
62 4ASE AV9 0.007965 0.41614 23.7013
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