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 473 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 355 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 272 families.
1 1VPV - 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 : 1VPV; Ligand: PLM; Similar sites found: 80
This union binding pocket(no: 1) in the query (biounit: 1vpv.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SZO CAX 0.03755 0.40286 1.55642
2 5FQK 6NT 0.01289 0.42763 1.85874
3 3ZVS MLI 0.03885 0.40577 1.875
4 5J75 6GQ 0.003982 0.43018 1.89394
5 4B9E FAH 0.002168 0.45803 2
6 1V0L XIF XYP 0.02141 0.41472 2
7 3SHZ 5CO 0.01812 0.41019 2
8 3B9Z CO2 0.03275 0.40442 2
9 2WG9 OCA 0.009273 0.43391 2.30769
10 3R75 BEZ 0.01048 0.43112 2.33333
11 5M8T 0TR 0.01459 0.41908 2.33333
12 4K55 H6P 0.03279 0.40932 2.41935
13 4IA6 EIC 0.008805 0.43551 2.66667
14 2C5S AMP 0.01373 0.42044 2.66667
15 1LCF OXL 0.01842 0.41568 2.66667
16 4XMF HSM 0.005036 0.40993 2.71739
17 5HWK BEZ 0.0318 0.40406 2.91667
18 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.04737 0.40172 3.04348
19 2F2G HMH 0.01759 0.42234 3.16742
20 1RL4 BL5 0.02082 0.44262 3.19149
21 1VJ7 GPX 0.02859 0.40663 3.33333
22 2CXG GLC GLC 0.0337 0.40605 3.33333
23 2JBM SRT 0.01353 0.40876 3.34448
24 5CHR 4NC 0.03776 0.40129 3.64964
25 4PMZ BXP 0.008554 0.43743 3.66667
26 1HXD BTN 0.01151 0.40526 3.66667
27 2PZI AXX 0.02096 0.40329 3.66667
28 4S1D 41M 0.03501 0.40337 3.73832
29 3TL1 JRO 0.01807 0.41862 3.77358
30 5FUI APY 0.00005738 0.55253 3.78788
31 1DZK PRZ 0.007047 0.42244 3.82166
32 4XW2 SIM 0.001731 0.46243 4.0404
33 3ACL 3F1 0.01548 0.40265 4.05405
34 3I7S PYR 0.02507 0.40589 4.10959
35 4OFG PCG 0.0208 0.40346 4.16667
36 3GL0 HXX 0.02363 0.40073 4.29799
37 5KJW 53C 0.002876 0.45848 4.33333
38 2ZL4 ALA ALA ALA ALA 0.03841 0.40247 4.59184
39 1OSS BEN 0.009651 0.43299 4.93274
40 2BO9 VAL 0.02025 0.41601 4.95496
41 3P9T TCL 0.015 0.41432 5.02283
42 5FPE 3TR 0.007449 0.42045 5.33333
43 2WZ5 MET 0.0001505 0.51259 5.88235
44 3OV6 MK0 0.0009167 0.43045 6
45 3NKS ACJ 0.005902 0.42222 6
46 3E8T UQ8 0.01571 0.40188 6
47 3SHR CMP 0.01318 0.41714 6.02007
48 5U83 ZN8 0.0168 0.4203 6.13208
49 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 0.03977 0.40309 6.33333
50 4V3I ASP LEU THR ARG PRO 0.03252 0.40701 6.61479
51 4DO1 ANN 0.03274 0.40577 6.66667
52 1Y7P RIP 0.02549 0.40761 6.72646
53 4DSU BZI 0.01015 0.43455 6.87831
54 4WCX MET 0.01565 0.42013 7
55 5D4Y BXP 0.0374 0.40183 7
56 4UYF 73B 0.01914 0.41535 7.14286
57 2IVD ACJ 0.0137 0.41235 7.33333
58 1PVS 7HP 0.026 0.41112 7.80142
59 3KYF 5GP 5GP 0.008522 0.42663 8
60 2BYC FMN 0.008045 0.41969 8.0292
61 5EY0 GTP 0.01532 0.41385 8.75912
62 5F6U 5VK 0.03014 0.40471 8.9172
63 1I7M CG 0.02743 0.40112 8.95522
64 3R51 MMA 0.03237 0.40148 9.375
65 2ZV2 609 0.02084 0.40714 9.39597
66 5TVI O8N 0.02103 0.4137 10.8696
67 2HPL ASP ASP LEU TYR GLY 0.02829 0.41069 11
68 4ZO3 C6L 0.01306 0.41337 11.2245
69 2CJU PHX 0.01956 0.41898 12.3894
70 1UYY BGC BGC 0.0164 0.42085 12.9771
71 3HYW DCQ 0.01092 0.43092 13.3333
72 3GAC ENO 0.02906 0.40234 13.6752
73 3NZ1 3NY 0.006619 0.4365 14.5594
74 5HWV MBN 0.009082 0.43438 14.6154
75 2GBB CIT 0.03245 0.40115 15.3846
76 2E0N SAH 0.01226 0.404 17.3745
77 3IWD M2T 0.01855 0.42248 17.7419
78 4YEE 4CQ 0.0339 0.4046 17.7778
79 5F1H 5U6 0.01594 0.40913 17.8862
80 5N18 8HZ 0.032 0.40499 23.8532
81 4X9X OLA 0.000000000588 0.67496 50
Pocket No.: 2; Query (leader) PDB : 1VPV; Ligand: PLM; Similar sites found: 24
This union binding pocket(no: 2) in the query (biounit: 1vpv.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3RGA LSB 0.01233 0.40586 1.06007
2 5CQG 55C 0.01962 0.41069 2
3 3ZJX BOG 0.03853 0.40023 2.42215
4 3OQJ 3CX 0.006337 0.43159 2.72374
5 5LXB 7A9 0.04163 0.40055 3.30579
6 4Q86 AMP 0.02016 0.40276 3.33333
7 3N7S 3N7 0.04278 0.40162 3.47826
8 3BF8 MLA 0.02601 0.41337 3.52941
9 3AQT RCO 0.01928 0.41613 3.67347
10 3KO0 TFP 0.04891 0.40175 3.9604
11 5JDA AMP 0.002235 0.46077 4.33333
12 4YMU ARG 0.03201 0.40128 5
13 4MPO AMP 0.01737 0.40681 5.88235
14 5U9J GER 0.02595 0.40484 5.91716
15 1RYO OXL 0.03475 0.40178 6
16 1YRX FMN 0.01406 0.4067 6.61157
17 3TDC 0EU 0.006605 0.47341 7.33333
18 5KEW 6SB 0.02864 0.40668 8.51064
19 1YFS ALA 0.02801 0.40239 8.66667
20 2IYG FMN 0.004765 0.43327 9.67742
21 3OCP CMP 0.02713 0.40003 11.5108
22 4KU7 PCG 0.02157 0.40132 11.7647
23 3OID TCL 0.02449 0.41028 13.9535
24 4CCN OGA 0.01739 0.41798 25.7143
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