-->
Receptor
PDB id Resolution Class Description Source Keywords
1MGP 2 Å NON-ENZYME: BINDING HYPOTHETICAL PROTEIN TM841 FROM THERMOTOGA MARITIMA REVEALS FATTY ACID BINDING FUNCTION THERMOTOGA MARITIMA TWO DOMAIN STRUCTURE WITH MIXED ALPHA/BETA STRUCTURES IN BOTH DOMAINS STRUCTURAL GENOMICS BSGC STRUCTURE FUNDED BYNIH PROTEIN STRUCTURE INITIATIVE PSI BERKELEY STRUCTURALGENOMICS CENTER LIPID BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF A HYPOTHETICAL PROTEIN, TM841 OF THERMOTOGA MARITIMA, REVEALS ITS FUNCTION AS FATTY ACID BINDING PROTEIN PROTEINS V. 50 526 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLM A:314;
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
1MGP 2 Å NON-ENZYME: BINDING HYPOTHETICAL PROTEIN TM841 FROM THERMOTOGA MARITIMA REVEALS FATTY ACID BINDING FUNCTION THERMOTOGA MARITIMA TWO DOMAIN STRUCTURE WITH MIXED ALPHA/BETA STRUCTURES IN BOTH DOMAINS STRUCTURAL GENOMICS BSGC STRUCTURE FUNDED BYNIH PROTEIN STRUCTURE INITIATIVE PSI BERKELEY STRUCTURALGENOMICS CENTER LIPID BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF A HYPOTHETICAL PROTEIN, TM841 OF THERMOTOGA MARITIMA, REVEALS ITS FUNCTION AS FATTY ACID BINDING PROTEIN PROTEINS V. 50 526 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1MGP - 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 1MGP - PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4X9X - OLA C18 H34 O2 CCCCCCCCC=....
2 1MGP - PLM C16 H32 O2 CCCCCCCCCC....
3 3FYS - PLM C16 H32 O2 CCCCCCCCCC....
4 5WOO - MYR C14 H28 O2 CCCCCCCCCC....
5 6B9I - D0G C17 H34 O2 CC[C@H](C)....
6 6ALW - BNV C15 H30 O2 CC[C@H](C)....
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 : 1MGP; Ligand: PLM; Similar sites found with APoc: 109
This union binding pocket(no: 1) in the query (biounit: 1mgp.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 2UW1 GVM 1.59744
3 2HFK E4H 1.59744
4 5N7O 69Y 1.80995
5 5FQK 6NT 1.85874
6 3B9Z CO2 1.91693
7 4FE2 AIR 1.96078
8 4B9E FAH 1.99336
9 6CGN DA 2.23642
10 5M8T 0TR 2.23642
11 3R75 BEZ 2.23642
12 2WG9 OCA 2.30769
13 1WMA AB3 2.53623
14 4IA6 EIC 2.55591
15 2C5S AMP 2.55591
16 2Z9I GLY ALA THR VAL 2.55591
17 5G48 1FL 2.55591
18 3OQJ 3CX 2.72374
19 3E8T UQ8 2.72727
20 5OSW DIU 2.8754
21 5X80 SAL 3.125
22 1RL4 BL5 3.19149
23 1LCF OXL 3.19489
24 4Q86 AMP 3.19489
25 3GFZ FMN 3.51438
26 3RGA LSB 3.51438
27 2PZI AXX 3.51438
28 3BF8 MLA 3.52941
29 3L1N PLM 3.60825
30 5CHR 4NC 3.64964
31 3AQT RCO 3.67347
32 2AGC DAO 3.7037
33 3TL1 JRO 3.77358
34 5FUI APY 3.78788
35 4YUS FMN 3.83387
36 1XXA ARG 3.84615
37 3KO0 TFP 3.9604
38 6BTN E8M 3.9604
39 6H8S FSZ 3.98671
40 3I7S PYR 4.10959
41 5KJW 53C 4.15335
42 6EGU 43Y 4.15335
43 5W3Y ACO 4.15335
44 4OFG PCG 4.16667
45 5LX9 OLB 4.22535
46 6GNO XDI 4.44444
47 1RJW ETF 4.47284
48 2HFN FMN 4.57516
49 1ZDQ MSM 4.79233
50 3GXO MQA 4.87805
51 1X0P FAD 4.8951
52 3FXU TSU 4.91803
53 1OSS BEN 4.93274
54 4YMU ARG 5
55 3P9T TCL 5.02283
56 3NMV PYV 5.05618
57 4UYG 73B 5.09554
58 6GSG RCO 5.11182
59 5L2R MLA 5.11182
60 5FPE 3TR 5.11182
61 1AJ8 CIT 5.11182
62 4QBK 3NZ 5.15464
63 4JLS 3ZE 5.26316
64 3HQ9 OXL 5.43131
65 2VL1 GLY GLY 5.7508
66 3OV6 MK0 5.7508
67 1RYO OXL 5.7508
68 5U9J GER 5.91716
69 3SHR CMP 6.02007
70 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 6.07029
71 3V1S 0LH 6.07029
72 5U83 ZN8 6.13208
73 4DO1 ANN 6.38978
74 1ZED PNP 6.38978
75 5TI9 NFK 6.38978
76 2QCX PF1 6.46388
77 3KVY URA 6.47249
78 5TPU TYD 6.47482
79 4V3I ASP LEU THR ARG PRO 6.61479
80 5YJS SAL 7.02875
81 2GWH PCI 7.04698
82 5C1M OLC 7.2
83 4EKQ NPO 8.02139
84 2BYC FMN 8.0292
85 5MBC FMN 8.30671
86 4UFH GIF 8.30671
87 5KEW 6SB 8.51064
88 5EY0 GTP 8.75912
89 4YDU ADP 8.86076
90 5V49 MET 9.26518
91 2ZV2 609 9.39597
92 2IYG FMN 9.67742
93 4B1M FRU FRU 9.72973
94 3HYW DCQ 10.2236
95 4G8R 96P 10.2236
96 5TVI O8N 10.8696
97 3RET SAL 10.8911
98 3RET PYR 10.8911
99 6EWZ APC 10.9705
100 5W7B MYR 11.3475
101 3OID TCL 13.1783
102 3NZ1 3NY 14.5594
103 5HWV MBN 14.6154
104 2GBB CIT 14.7436
105 1LNX URI 14.8148
106 5F1H 5U6 17.8862
107 5C9J DAO 18.1818
108 5OF1 SAL 21.9048
109 5N18 8HZ 23.8532
APoc FAQ
Feedback