Receptor
PDB id Resolution Class Description Source Keywords
1UVA 2.5 Å NON-ENZYME: TRANSPORT LIPID BINDING IN RICE NONSPECIFIC LIPID TRANSFER PROTEIN-1 COMPLEXES FROM ORYZA SATIVA ORYZA SATIVA LIPID TRANSPORT LTP 1 PAP 1 RICE FATTY ACID BINDING
Ref.: LIPID BINDING IN RICE NONSPECIFIC LIPID TRANSFER PROTEIN-1 COMPLEXES FROM ORYZA SATIVA PROTEIN SCI. V. 13 2304 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MYR A:100;
Valid;
none;
submit data
228.371 C14 H28 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UVC 2 Å NON-ENZYME: TRANSPORT LIPID BINDING IN RICE NONSPECIFIC LIPID TRANSFER PROTEIN-1 COMPLEXES FROM ORYZA SATIVA ORYZA SATIVA LIPID TRANSPORT LTP 1 PAP 1 RICE FATTY ACID BINDING
Ref.: LIPID BINDING IN RICE NONSPECIFIC LIPID TRANSFER PROTEIN-1 COMPLEXES FROM ORYZA SATIVA PROTEIN SCI. V. 13 2304 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 1UVB - PAM C16 H30 O2 CCCCCCC=C/....
2 1UVA - MYR C14 H28 O2 CCCCCCCCCC....
3 1UVC - STE C18 H36 O2 CCCCCCCCCC....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 2B5S - HP6 C7 H16 CCCCCCC
2 2ALG - HP6 C7 H16 CCCCCCC
3 1UVB - PAM C16 H30 O2 CCCCCCC=C/....
4 1UVA - MYR C14 H28 O2 CCCCCCCCCC....
5 1UVC - STE C18 H36 O2 CCCCCCCCCC....
6 1FK1 - DAO C12 H24 O2 CCCCCCCCCC....
7 1FK2 - MYR C14 H28 O2 CCCCCCCCCC....
8 1FK3 - PAM C16 H30 O2 CCCCCCC=C/....
9 1MZM - PLM C16 H32 O2 CCCCCCCCCC....
10 1FK4 - STE C18 H36 O2 CCCCCCCCCC....
11 1FK0 - DKA C10 H20 O2 CCCCCCCCCC....
12 1FK7 - RCL C18 H34 O3 CCCCCC[C@H....
13 1FK5 - OLA C18 H34 O2 CCCCCCCCC=....
14 1FK6 - LNL C18 H30 O2 CCC=CCC=CC....
15 1BWO - LPC C22 H47 N O7 P CCCCCCCCCC....
16 1MID - LAP C20 H43 N O7 P CCCCCCCCCC....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 2B5S - HP6 C7 H16 CCCCCCC
2 2ALG - HP6 C7 H16 CCCCCCC
3 1UVB - PAM C16 H30 O2 CCCCCCC=C/....
4 1UVA - MYR C14 H28 O2 CCCCCCCCCC....
5 1UVC - STE C18 H36 O2 CCCCCCCCCC....
6 1FK1 - DAO C12 H24 O2 CCCCCCCCCC....
7 1FK2 - MYR C14 H28 O2 CCCCCCCCCC....
8 1FK3 - PAM C16 H30 O2 CCCCCCC=C/....
9 1MZM - PLM C16 H32 O2 CCCCCCCCCC....
10 1FK4 - STE C18 H36 O2 CCCCCCCCCC....
11 1FK0 - DKA C10 H20 O2 CCCCCCCCCC....
12 1FK7 - RCL C18 H34 O3 CCCCCC[C@H....
13 1FK5 - OLA C18 H34 O2 CCCCCCCCC=....
14 1FK6 - LNL C18 H30 O2 CCC=CCC=CC....
15 1BWO - LPC C22 H47 N O7 P CCCCCCCCCC....
16 1MID - LAP C20 H43 N O7 P CCCCCCCCCC....
17 5TVI - O8N C28 H58 O CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MYR; 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 : 1UVC; Ligand: STE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1uvc.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1UVC; Ligand: STE; Similar sites found: 82
This union binding pocket(no: 2) in the query (biounit: 1uvc.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MGA 27L 0.001016 0.49192 None
2 3KP6 SAL 0.00202 0.47756 None
3 4TUZ 36J 0.001317 0.46353 None
4 5DXG EST 0.001529 0.46037 None
5 3L1N PLM 0.003668 0.45655 None
6 5DXE EST 0.002009 0.44992 None
7 1SZO CAX 0.009552 0.43646 None
8 5FUS DAO 0.004717 0.43642 None
9 3R9V DXC 0.01306 0.43049 None
10 1UO5 PIH 0.003526 0.42927 None
11 3SJK LYS PRO VAL LEU ARG THR ALA 0.01115 0.42863 None
12 4LBP 1WG 0.0102 0.42845 None
13 3KO0 TFP 0.01811 0.4282 None
14 3OKI OKI 0.004148 0.41981 None
15 1NF8 BOG 0.02534 0.41762 None
16 3KDU NKS 0.004658 0.41698 None
17 3G9E RO7 0.002218 0.4164 None
18 5HCN DAO 0.02151 0.41592 None
19 1ELW GLY PRO THR ILE GLU GLU VAL ASP 0.01246 0.41572 None
20 2CB8 MYA 0.02793 0.41197 None
21 1Q11 TYE 0.02602 0.41152 None
22 5CB8 ADX 0.01104 0.41089 None
23 3KYQ DPV 0.02697 0.41069 None
24 2Y7P SAL 0.02704 0.41063 None
25 4LQY AMP 0.01893 0.41056 None
26 5UC9 MYR 0.0248 0.40849 None
27 5F1H 5U6 0.01762 0.40832 None
28 4F4S EFO 0.03017 0.40809 None
29 5B4B LP5 0.002697 0.40773 None
30 5HCV 60R 0.006678 0.40755 None
31 1TV5 N8E 0.03242 0.40642 None
32 5L8N 6RQ 0.03297 0.40325 None
33 3GN8 DEX 0.01033 0.40236 None
34 5ICK FEZ 0.01214 0.40234 None
35 5N18 8HZ 0.03676 0.40229 None
36 1RTW MP5 0.04012 0.40146 None
37 5DCH 1YO 0.003561 0.46086 2.1978
38 1QVJ RP5 0.01711 0.42113 2.1978
39 1RDT L79 0.00393 0.42083 2.1978
40 5C9J DAO 0.01226 0.42007 2.1978
41 4K7O EKZ 0.03664 0.41627 2.1978
42 3SQP 3J8 0.03153 0.40774 2.1978
43 5V4R MGT 0.01865 0.4294 3.2967
44 4UMJ BFQ 0.01023 0.42084 3.2967
45 2Q8H TF4 0.02891 0.41229 3.2967
46 5MES 7LT 0.02228 0.40329 3.2967
47 3E3U NVC 0.01892 0.40323 3.2967
48 4URN NOV 0.03787 0.4028 3.2967
49 5U98 1KX 0.004672 0.42413 4.3956
50 5FQK 6NT 0.02285 0.41492 4.3956
51 1RL4 BL5 0.01574 0.40405 4.3956
52 5UNJ RJW 0.01693 0.40215 4.3956
53 1RL4 BRR 0.03429 0.40117 4.3956
54 5CHR 4NC 0.03474 0.40685 5.49451
55 1XM4 PIL 0.02203 0.40353 5.49451
56 1PZL MYR 0.006587 0.41775 6.59341
57 5UGW GSH 0.01499 0.41417 6.59341
58 3AB4 THR 0.02322 0.40998 6.59341
59 1T0S BML 0.008287 0.43463 6.97674
60 4J26 EST 0.0007504 0.47547 7.69231
61 1U3R 338 0.001105 0.45325 7.69231
62 2YJD YJD 0.001868 0.44701 7.69231
63 3GQT UFO 0.01961 0.40603 7.69231
64 1KPG 16A 0.01767 0.40127 7.69231
65 5VRH OLB 0.004335 0.45531 10.989
66 2Q4X HMH 0.01364 0.42573 10.989
67 4RW3 TDA 0.01792 0.42087 10.989
68 3RY9 1CA 0.00412 0.4271 12.0879
69 5CQG 55C 0.0185 0.42011 12.0879
70 5DX3 EST 0.0009748 0.46992 13.1868
71 3UUA 0CZ 0.002171 0.4578 13.1868
72 4MGD 27N 0.001414 0.45722 13.1868
73 4MG8 27J 0.001503 0.45595 13.1868
74 5HYR EST 0.003015 0.4415 13.1868
75 3UU7 2OH 0.008965 0.43607 13.1868
76 4TV1 36M 0.02055 0.41697 13.1868
77 1VPD TLA 0.044 0.40457 15.3846
78 5OCA 9QZ 0.00001491 0.6152 16.4835
79 3A8H TAY 0.04045 0.40163 16.4835
80 2ZBA ZBA 0.01914 0.403 17.5824
81 4LI4 AMP 0.02427 0.40898 19.7802
82 2Y69 CHD 0.02854 0.41094 24.1758
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