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Receptor
PDB id Resolution Class Description Source Keywords
1VPV 2.45 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF A DEGV LIPID BINDING PROTEIN (TM1468) F THERMOTOGA MARITIMA AT 2.45 A RESOLUTION THERMOTOGA MARITIMA DAK1/DEGV-LIKE FOLD STRUCTURAL GENOMICS JOINT CENTER FOR SGENOMICS JCSG PROTEIN STRUCTURE INITIATIVE PSI LIPID BIPROTEIN
Ref.: CRYSTAL STRUCTURE OF UPF0230 PROTEIN TM1468 (TM1468 THERMOTOGA MARITIMA AT 2.45 A RESOLUTION TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLM A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
256.424 C16 H32 O2 CCCCC...
PO4 A:289;
B:289;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VPV 2.45 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF A DEGV LIPID BINDING PROTEIN (TM1468) F THERMOTOGA MARITIMA AT 2.45 A RESOLUTION THERMOTOGA MARITIMA DAK1/DEGV-LIKE FOLD STRUCTURAL GENOMICS JOINT CENTER FOR SGENOMICS JCSG PROTEIN STRUCTURE INITIATIVE PSI LIPID BIPROTEIN
Ref.: CRYSTAL STRUCTURE OF UPF0230 PROTEIN TM1468 (TM1468 THERMOTOGA MARITIMA AT 2.45 A RESOLUTION TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1VPV - 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 391 families.
1 1VPV - PLM C16 H32 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 298 families.
1 1VPV - 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 : 1VPV; Ligand: PLM; Similar sites found with APoc: 136
This union binding pocket(no: 1) in the query (biounit: 1vpv.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 5NNT DPV None
3 6BOC RIM None
4 5GOO FRU 1.33333
5 1SZO CAX 1.55642
6 2UW1 GVM 1.66667
7 5N7O 69Y 1.80995
8 5FQK 6NT 1.85874
9 3ZVS MLI 1.875
10 5J75 6GQ 1.89394
11 4B9E FAH 2
12 6GSG RCO 2
13 1V0L XIF XYP 2
14 3SHZ 5CO 2
15 3B9Z CO2 2
16 2EG5 SAH 2
17 5WHU SIA GAL GLC 2.01342
18 2WG9 OCA 2.30769
19 3R75 BEZ 2.33333
20 5M8T 0TR 2.33333
21 4K55 H6P 2.41935
22 1UTJ ABN 2.47934
23 1WMA AB3 2.53623
24 2RI1 GLP 2.55319
25 43CA NPO 2.65487
26 4IA6 EIC 2.66667
27 2C5S AMP 2.66667
28 1LCF OXL 2.66667
29 4XMF HSM 2.71739
30 5HWK BEZ 2.91667
31 3QSB 743 3
32 5OSW DIU 3
33 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 3.04348
34 1NU4 MLA 3.09278
35 2F2G HMH 3.16742
36 1SDW IYT 3.18471
37 1RL4 BL5 3.19149
38 6CGN DA 3.33333
39 1VJ7 GPX 3.33333
40 2CXG GLC GLC 3.33333
41 2JBM SRT 3.34448
42 2RDE C2E 3.58566
43 5CHR 4NC 3.64964
44 4PMZ BXP 3.66667
45 3GFZ FMN 3.66667
46 1HXD BTN 3.66667
47 2PZI AXX 3.66667
48 2AGC DAO 3.7037
49 4S1D 41M 3.73832
50 3TL1 JRO 3.77358
51 5FUI APY 3.78788
52 3X01 AMP 3.81679
53 1DZK PRZ 3.82166
54 1XXA ARG 3.84615
55 3KO0 TFP 3.9604
56 6H8S FSZ 4
57 4RD0 GDP 4
58 4XW2 SIM 4.0404
59 3ACL 3F1 4.05405
60 3I7S PYR 4.10959
61 4OFG PCG 4.16667
62 3GL0 HXX 4.29799
63 5KJW 53C 4.33333
64 6GNO XDI 4.44444
65 2HFN FMN 4.57516
66 2ZL4 ALA ALA ALA ALA 4.59184
67 5O5Y GLC 4.74138
68 5TZO 7V7 4.78723
69 1X0P FAD 4.8951
70 1OSS BEN 4.93274
71 1ZDQ MSM 5
72 3P9T TCL 5.02283
73 4JLS 3ZE 5.26316
74 5L2R MLA 5.33333
75 5FPE 3TR 5.33333
76 6CZI 38E 5.35714
77 5EZU MYR 5.61798
78 2VL1 GLY GLY 6
79 3OV6 MK0 6
80 3NKS ACJ 6
81 3E8T UQ8 6
82 6FBA D48 6
83 3SHR CMP 6.02007
84 5U83 ZN8 6.13208
85 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 6.33333
86 5EJL C2E 6.45161
87 1YRX FMN 6.61157
88 4V3I ASP LEU THR ARG PRO 6.61479
89 4DO1 ANN 6.66667
90 1ZED PNP 6.66667
91 1Y7P RIP 6.72646
92 4WCX MET 7
93 5D4Y BXP 7
94 4UYF 73B 7.14286
95 5C1M OLC 7.2
96 5LX9 OLB 7.33333
97 5YJS SAL 7.33333
98 2IVD ACJ 7.33333
99 1PVS 7HP 7.80142
100 3KYF 5GP 5GP 8
101 2BYC FMN 8.0292
102 5MBC FMN 8.66667
103 5EY0 GTP 8.75912
104 4YDU ADP 8.86076
105 5F6U 5VK 8.9172
106 1I7M CG 8.95522
107 2YC5 6BC 9.21053
108 3R51 MMA 9.375
109 2ZV2 609 9.39597
110 5Y4R C2E 9.65517
111 4EKQ NPO 10.1604
112 5TVI O8N 10.8696
113 6EWZ APC 10.9705
114 2HPL ASP ASP LEU TYR GLY 11
115 4ZO3 C6L 11.2245
116 2P7Q GG6 11.2782
117 5W7B MYR 11.3475
118 4FBL SPD 11.3879
119 2CJU PHX 12.3894
120 1UYY BGC BGC 12.9771
121 3HYW DCQ 13.3333
122 3GAC ENO 13.6752
123 3OID TCL 13.9535
124 3NZ1 3NY 14.5594
125 5HWV MBN 14.6154
126 1LNX URI 14.8148
127 2GBB CIT 15.3846
128 2E0N SAH 17.3745
129 3IWD M2T 17.7419
130 4YEE 4CQ 17.7778
131 5F1H 5U6 17.8862
132 4WO4 JLS 18
133 5C9J DAO 18.1818
134 3HUJ AGH 18.1818
135 5OF1 SAL 21.9048
136 5N18 8HZ 23.8532
137 4X9X OLA 50
Pocket No.: 2; Query (leader) PDB : 1VPV; Ligand: PLM; Similar sites found with APoc: 41
This union binding pocket(no: 2) in the query (biounit: 1vpv.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 3RGA LSB 1.06007
3 2OO0 XAP 1.66667
4 4FE2 AIR 1.96078
5 5CQG 55C 2
6 3ZJX BOG 2.42215
7 4WGF HX2 2.43902
8 3OQJ 3CX 2.72374
9 2F7A BEZ 3.01724
10 5LXB 7A9 3.30579
11 3KP6 SAL 3.31126
12 4Q86 AMP 3.33333
13 3N7S 3N7 3.47826
14 3BF8 MLA 3.52941
15 3AQT RCO 3.67347
16 5Y02 HBX 3.73832
17 5X80 SAL 3.75
18 4YUS FMN 4
19 2GWH PCI 4.02685
20 6AP8 BNY 4.08922
21 5JDA AMP 4.33333
22 6EGU 43Y 4.33333
23 1RJW ETF 4.66667
24 4YMU ARG 5
25 4QBK 3NZ 5.15464
26 4MPO AMP 5.88235
27 5U9J GER 5.91716
28 2CFC KPC 6
29 1RYO OXL 6
30 5TPU TYD 6.47482
31 3TDC 0EU 7.33333
32 1J78 OLA 7.66667
33 3RWP ABQ 8.03859
34 5KEW 6SB 8.51064
35 1YFS ALA 8.66667
36 2IYG FMN 9.67742
37 4B1M FRU FRU 9.72973
38 3OCP CMP 11.5108
39 4KU7 PCG 11.7647
40 1VAY AZA 13.3333
41 4CCN OGA 25.7143
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