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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
STE A:1092;
B:1092;
Valid;
Valid;
none;
none;
submit data
284.477 C18 H36 O2 CCCCC...
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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 209 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 175 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 149 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: STE; 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 : 1UVC; Ligand: STE; Similar sites found with APoc: 99
This union binding pocket(no: 1) in the query (biounit: 1uvc.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2GWH PCI None
2 5U97 PIT None
3 1SBR VIB None
4 3L1N PLM None
5 2YFB SIN None
6 3KP6 SAL None
7 6GMN F4E None
8 3CHT 4NB None
9 5CSD ACD None
10 4TUZ 36J None
11 5AAV GW5 None
12 3AQT RCO None
13 4MGA 27L None
14 5X13 HC4 None
15 3GF2 SAL None
16 1XZ3 ICF None
17 3FUR Z12 None
18 2O1V ADP None
19 5UC9 MYR None
20 1UO5 PIH None
21 4DOO DAO None
22 1ECM TSA None
23 2YLD CMO None
24 4MA7 P2Z None
25 1ZEI CRS None
26 2WOR 2AN None
27 6G5Q EMZ None
28 5X80 SAL None
29 5OLK DTP None
30 1M48 FRG None
31 4UP5 94W None
32 5NM7 GLY None
33 2F7A BEZ None
34 2RH1 CLR None
35 4N49 MGT None
36 3F8C HT1 None
37 5MTE BB2 None
38 4WGF HX2 None
39 5FUS DAO None
40 2ZCQ B65 1.70648
41 5IUY BOG 2.1978
42 2Q8G AZX 3.2967
43 3KMZ EQO 3.2967
44 2UW1 GVM 3.2967
45 3E3U NVC 3.2967
46 5LWY OLB 4.3956
47 5GQX GLC GLC GLC 4.3956
48 1RL4 BRR 4.3956
49 3R9C ECL 4.3956
50 5LX9 OLB 4.3956
51 5U98 1KX 4.3956
52 5NCB JZ3 4.3956
53 4EKQ NPO 5.49451
54 4O08 PO6 5.49451
55 2QJY UQ2 5.49451
56 6FBA D48 5.49451
57 5CHR 4NC 5.49451
58 1N13 AG2 5.49451
59 5IM3 DTP 5.49451
60 1MT1 AG2 5.49451
61 2R0D 4IP 5.49451
62 4OGQ 7PH 6.59341
63 5UGW GSH 6.59341
64 1XVB 3BR 6.59341
65 5OSW DIU 6.59341
66 4DR9 BB2 6.59341
67 1T0S BML 6.97674
68 6CB2 OLC 7.69231
69 5CX8 TG6 7.69231
70 4URX FK1 7.69231
71 3HP9 CF1 7.69231
72 4IA6 EIC 7.69231
73 3KC1 2T6 7.69231
74 5KOD IAC 7.69231
75 6BVK EAV 7.69231
76 6BVM EBV 7.69231
77 3GDN MXN 8.79121
78 2ZHZ ATP 8.79121
79 5HGZ MLA 8.79121
80 3T3Z 9PL 9.89011
81 2F2G HMH 10.989
82 3OBT SLB 12.0879
83 5CQG 55C 12.0879
84 3UU7 2OH 13.1868
85 4TV1 36M 13.1868
86 4F06 PHB 13.1868
87 4MG9 27K 13.1868
88 5F74 AMP 13.1868
89 3V1S 0LH 13.1868
90 5OCA 9QZ 16.4835
91 5C1M OLC 16.4835
92 2CIX CEJ 17.5824
93 1UUY PPI 17.5824
94 3O01 DXC 18.6813
95 1E4I NFG 18.6813
96 4HDK 13X 21.978
97 5ZCO PEK 24.1758
98 1QFT HSM 29.6703
99 2RKN LP3 32.4675
Pocket No.: 2; Query (leader) PDB : 1UVC; Ligand: STE; Similar sites found with APoc: 194
This union binding pocket(no: 2) in the query (biounit: 1uvc.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 3T03 3T0 None
2 4V1F BQ1 None
3 5DXG EST None
4 5DXE EST None
5 4N6H EJ4 None
6 5ERM 210 None
7 1XF1 CIT None
8 1SZO CAX None
9 3R9V DXC None
10 6BMS PLM None
11 3SJK LYS PRO VAL LEU ARG THR ALA None
12 4LBP 1WG None
13 3ET1 ET1 None
14 2OFW ADX None
15 1ELI PYC None
16 3KO0 TFP None
17 4OAR 2S0 None
18 3ET3 ET1 None
19 3NJQ NJQ None
20 2W9S TOP None
21 4GLW NMN None
22 2VKL MLT None
23 5UC4 83S None
24 3OKI OKI None
25 4RYV ZEA None
26 4F4S EFO None
27 1NF8 BOG None
28 2IDO TMP None
29 3KDU NKS None
30 3G9E RO7 None
31 5HCN DAO None
32 1LOJ U None
33 1ELW GLY PRO THR ILE GLU GLU VAL ASP None
34 5XVH TLA None
35 5CC2 CKA None
36 4WG0 CHD None
37 1YC4 43P None
38 3TTZ 07N None
39 6BR9 PGV None
40 2CB8 MYA None
41 3G58 988 None
42 5B4B LP5 None
43 1TMX BEZ None
44 5CB8 ADX None
45 3KYQ DPV None
46 2Y7P SAL None
47 4LQY AMP None
48 5MWY YNU None
49 4JGX PLM None
50 5F1H 5U6 None
51 3GZ9 D32 None
52 2A3I C0R None
53 1XXA ARG None
54 5HCV 60R None
55 4GGL CJC None
56 5Z7B VNL None
57 1TV5 N8E None
58 1Q11 TYE None
59 6BR8 PGV None
60 5CXI 5TW None
61 1ELR ACE MET GLU GLU VAL ASP None
62 1L6O SER LEU LYS LEU MET THR THR VAL None
63 1R6N 434 None
64 2YVE MBT None
65 2UXI G50 None
66 3U1T MLI None
67 2QE4 JJ3 None
68 3BEJ MUF None
69 6BOC RIM None
70 5L8N 6RQ None
71 1UO4 PIH None
72 2AKO ADP None
73 3SP6 IL2 None
74 2AOT 2PM None
75 4G5H UD7 None
76 3GN8 DEX None
77 5ICK FEZ None
78 5N18 8HZ None
79 2BHW NEX None
80 4V2O CLQ None
81 2H6B 3C4 None
82 1RTW MP5 None
83 4RDN 6MD None
84 2HFN FMN None
85 3GP3 SEP None
86 5DCH 1YO 2.1978
87 5C9J DAO 2.1978
88 5N7O 69Y 2.1978
89 1QVJ RP5 2.1978
90 1RDT L79 2.1978
91 4K7O EKZ 2.1978
92 6AYH C3G 2.1978
93 3SQP 3J8 2.1978
94 2BP1 FLC 2.1978
95 3FXU TSU 3.2967
96 3FAL REA 3.2967
97 5V4R MGT 3.2967
98 4UMJ BFQ 3.2967
99 6FS0 E4W 3.2967
100 4L8V NAP 3.2967
101 4URN NOV 3.2967
102 3JRS A8S 3.2967
103 6C1R EFD 4.3956
104 6AYI C3G 4.3956
105 2BJ4 OHT 4.3956
106 4Z0G 5GP 4.3956
107 4HY1 19X 4.3956
108 5FQK 6NT 4.3956
109 1P19 IMP 4.3956
110 1RL4 BL5 4.3956
111 3RDE OYP 4.3956
112 5E70 RCD 4.3956
113 5UNJ RJW 4.3956
114 1YVZ JPC 4.3956
115 6BMM OLB 5.49451
116 1MFI FHC 5.49451
117 3RMK BML 5.49451
118 1XMY ROL 5.49451
119 4KRG SAH 5.49451
120 4F9C 0SX 5.49451
121 4K47 WMP 5.49451
122 6EOP F15 5.49451
123 2QQC AG2 5.49451
124 1XM4 PIL 5.49451
125 4JUI EGR 5.49451
126 5F8F SFG 5.49451
127 5XJ7 87O 6.59341
128 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 6.59341
129 1DKF OLA 6.59341
130 4OGQ 1O2 6.59341
131 1PZL MYR 6.59341
132 1XQP 8HG 6.59341
133 3AB4 THR 6.59341
134 3FS1 MYR 6.59341
135 1GJW GLC 6.59341
136 2FOI JPA 6.59341
137 5V3Y 5V8 6.59341
138 4J26 EST 7.69231
139 4J24 EST 7.69231
140 1YYE 196 7.69231
141 6BJO DUY 7.69231
142 3OLL EST 7.69231
143 3G5N PB2 7.69231
144 2YJD YJD 7.69231
145 1U3R 338 7.69231
146 3VOZ 04A 7.69231
147 6CGZ HL6 7.69231
148 3RS8 ALA TRP LEU PHE GLU ALA 7.69231
149 3GQT UFO 7.69231
150 3BJC WAN 7.69231
151 1KPG 16A 7.69231
152 5AZC PGT 8.79121
153 5W7B MYR 8.79121
154 1SJD NPG 8.79121
155 5OVV ACE ILE GLU SER THR GLU ILE 9.89011
156 2ZUX RAM 9.89011
157 6C0B PAM 9.89011
158 5VRH OLB 10.989
159 1Q7E MET 10.989
160 2Q4X HMH 10.989
161 4RW3 TDA 10.989
162 6MVU K4V 10.989
163 3AI3 SOE 12.0879
164 1CZA ADP 12.0879
165 3RY9 1CA 12.0879
166 3WUR O4B 12.0879
167 5DX3 EST 13.1868
168 3UUA 0CZ 13.1868
169 4MGD 27N 13.1868
170 4MG8 27J 13.1868
171 5HYR EST 13.1868
172 2QA8 GEN 13.1868
173 5WGD EST 13.1868
174 3UUD EST 13.1868
175 5WGQ EST 13.1868
176 4MG7 27H 13.1868
177 2QZO KN1 13.1868
178 4MGB XDH 13.1868
179 6B21 C9V 14.2857
180 1ZED PNP 14.2857
181 1SQL GUN 15.3846
182 1FMB HYB 16.3462
183 1U25 IHS 16.4835
184 5L2R MLA 17.5824
185 2ZBA ZBA 17.5824
186 2Q1H AS4 18.6813
187 4LI4 AMP 19.7802
188 5Z84 CHD 24.1758
189 2Y69 CHD 24.1758
190 5W97 CHD 24.1758
191 5ZCO CHD 24.1758
192 2DYS PGV 24.1758
193 1EB9 HBA 25.2747
194 1C1D PHE 40.6593
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