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Receptor
PDB id Resolution Class Description Source Keywords
3L1N 1.3 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF MP1P LIGAND BINDING DOMAIN 2 COMPLEXD W PALMITIC ACID PENICILLIUM MARNEFFEI HELIX-TURN-HELIX PROTEIN-LIGAND COMPLEX LIPID BINDING PROT
Ref.: CRYSTAL STRUCTURE OF THE MP1P LIGAND BINDING DOMAIN REVEALS ITS FUNCTION AS A FATTY ACID-BINDING PROTEI J.BIOL.CHEM. V. 285 9211 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLM A:161;
Valid;
none;
Kd = 6.34 uM
256.424 C16 H32 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3L1N 1.3 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF MP1P LIGAND BINDING DOMAIN 2 COMPLEXD W PALMITIC ACID PENICILLIUM MARNEFFEI HELIX-TURN-HELIX PROTEIN-LIGAND COMPLEX LIPID BINDING PROT
Ref.: CRYSTAL STRUCTURE OF THE MP1P LIGAND BINDING DOMAIN REVEALS ITS FUNCTION AS A FATTY ACID-BINDING PROTEI J.BIOL.CHEM. V. 285 9211 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 3L1N Kd = 6.34 uM PLM C16 H32 O2 CCCCCCCCCC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5CSD Kd = 2.3 uM ACD C20 H32 O2 CCCCCC=C/C....
2 5FB7 Kd = 2.3 uM ACD C20 H32 O2 CCCCCC=C/C....
3 3L1N Kd = 6.34 uM PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5CSD Kd = 2.3 uM ACD C20 H32 O2 CCCCCC=C/C....
2 5FB7 Kd = 2.3 uM ACD C20 H32 O2 CCCCCC=C/C....
3 3L1N Kd = 6.34 uM 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 : 3L1N; Ligand: PLM; Similar sites found with APoc: 256
This union binding pocket(no: 1) in the query (biounit: 3l1n.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3F8C HT1 None
2 1UVC STE None
3 4O4Z N2O None
4 5CYV WCA None
5 5N1X 8HH None
6 4OIV XX9 None
7 4OAS 2SW None
8 3GZ9 D32 None
9 5DEY 59T None
10 1FK5 OLA None
11 5MT9 ARG None
12 5MT9 SRO None
13 1UO5 PIH None
14 4POJ 2VP None
15 5UC1 486 None
16 3V2Q PLM None
17 1JR8 FAD None
18 2Q1H AS4 None
19 2WOR 2AN None
20 4WG0 CHD None
21 6C1R EFD None
22 4V1F BQ1 None
23 4M8E 29V None
24 5CHR 4NC None
25 2YJD YJD None
26 1OQC FAD None
27 4QVX 3CQ None
28 1YYE 196 None
29 5NWI TYR PHE SER SEP ASN 1.03093
30 1M13 HYF 1.03093
31 4E2J MOF 1.2
32 3GN8 DEX 1.20482
33 5UFS 1TA 1.20968
34 2QE4 JJ3 1.54639
35 4MGA 27L 1.54639
36 5AAV GW5 1.54639
37 3KDU NKS 1.54639
38 4MGB XDH 1.54639
39 4TV1 36M 1.54639
40 5F1R 42O 1.54639
41 2QZO KN1 1.54639
42 4MGD 27N 1.54639
43 4XU6 TDA 2.06186
44 3G9E RO7 2.06186
45 2P4Y C03 2.06186
46 3FUR Z12 2.06186
47 2HFP NSI 2.06186
48 3H0A D30 2.06186
49 1J78 VDY 2.06186
50 5WIU AQD 2.06186
51 1FM9 9CR 2.06186
52 1L6O SER LEU LYS LEU MET THR THR VAL 2.10526
53 2YVE MBT 2.16216
54 1PZO CBT 2.57732
55 2C0U FAD NBT 2.57732
56 3RS8 ALA TRP LEU PHE GLU ALA 2.57732
57 2EI4 22B 2.57732
58 4RHE FMN 2.57732
59 1SVK ALF GDP 2.57732
60 3RLB VIB 2.60417
61 3HLX PQQ 2.71318
62 6BYM HC3 2.95567
63 5B4B LP5 3.09278
64 5EK3 5PK 3.09278
65 5AHS SIN 3.09278
66 4O4K 2PK 3.09278
67 5L7G 6QE 3.09278
68 2HZL PYR 3.09278
69 5MWY YNU 3.09278
70 5WB6 9ZM 3.09278
71 1LN1 DLP 3.09278
72 3E70 GDP 3.35366
73 6BMS PLM 3.60825
74 2HJ3 FAD 3.60825
75 4MIB 28M 3.60825
76 2EV1 OLA 3.60825
77 1DMH LIO 3.60825
78 2OBD 2OB 3.60825
79 1EWF PC1 3.60825
80 4MRP GSH 3.60825
81 4UDB CV7 3.60825
82 6CI7 ACP 3.60825
83 4N4J HG1 3.60825
84 1Y7I SAL 3.60825
85 5CUQ NSC 3.60825
86 1XX4 BAM 3.60825
87 2OBD PCW 3.60825
88 5LX9 OLB 3.60825
89 5HCV 60R 3.60825
90 1MGP PLM 3.60825
91 2UW1 GVM 3.60825
92 2RHO GDP 3.60825
93 6CHP F0Y 3.72671
94 4URX FK1 3.78378
95 3QKD HI0 3.8674
96 1GNI OLA 4.12371
97 3KP6 SAL 4.12371
98 3PVT 3HC 4.12371
99 3E8T UQ8 4.12371
100 5BYK OAQ 4.12371
101 5BYK A3P 4.12371
102 3VRV YSD 4.12371
103 4PGK Y69 4.12371
104 4C2X NHW 4.12371
105 5V3Y 5V8 4.12371
106 5DRB 5FJ 4.12371
107 5A4W QCT 4.12371
108 6B21 C9V 4.63918
109 1IID NHM 4.63918
110 2A1L PCW 4.63918
111 4MA7 P2Z 4.63918
112 4RC8 STE 4.63918
113 5TIV A3P 4.63918
114 1T27 PCW 4.63918
115 5XKT GNP 4.63918
116 5XJ7 87O 4.63918
117 3VVY ET 4.63918
118 3VHE 42Q 4.63918
119 5XJ8 NKO 4.63918
120 5IM3 DTP 4.63918
121 4MNS 2AX 5.03145
122 5ZBK AMP 5.15464
123 2F1K NAP 5.15464
124 1Q9I TEO 5.15464
125 1Q9I FAD 5.15464
126 1EZV UQ6 5.15464
127 2IBZ UQ6 5.15464
128 5B0W 22B 5.15464
129 3OU2 SAH 5.15464
130 1IYE PGU 5.15464
131 3KYQ DPV 5.52764
132 3TJH SER PRO LEU ASP SER LEU TRP TRP ILE 5.55556
133 4NAT ADP 5.625
134 2IYG FMN 5.64516
135 5AZC PGT 5.6701
136 1IYK MYA 5.6701
137 6BR9 6OU 5.6701
138 6BR8 PGV 5.6701
139 3COW 52H 5.6701
140 1OE0 TTP 5.6701
141 1NHZ 486 5.6701
142 6BMM OLB 5.6701
143 6F68 4EU 5.6701
144 6F68 GSH 5.6701
145 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 5.71429
146 1JGS SAL 5.7971
147 2VZZ SCA 5.9633
148 5HZ5 65X 5.97015
149 2Z7I 742 6.17647
150 5OCA 9QZ 6.18557
151 1T0S BML 6.18557
152 2YNC YNC 6.18557
153 2YNE NHW 6.18557
154 2YNE YNE 6.18557
155 4P6X HCY 6.18557
156 4UWJ 7L5 6.18557
157 4UWJ MYA 6.18557
158 3BQD DAY 6.18557
159 2XXP DSL 6.18557
160 2XN5 FUN 6.18557
161 1W5F G2P 6.18557
162 4WGF HX2 6.18557
163 1DTL BEP 6.21118
164 5ITZ GTP 6.70103
165 5FPN KYD 6.70103
166 2XSU PIE 6.70103
167 1XZ3 ICF 6.89655
168 4XIZ LPP 7.05882
169 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 7.07071
170 3MBG FAD 7.19424
171 5AB0 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 7.2165
172 3WCA FPS 7.2165
173 3O01 DXC 7.2165
174 5K4W THR 7.2165
175 1OLM VTQ 7.2165
176 1O6U PLM 7.2165
177 4OMJ 2TX 7.2165
178 3RHJ NAP 7.2165
179 5LPA 71R 7.40741
180 5LPA ATP 7.40741
181 1OFU GDP 7.5
182 5MU6 KFK 7.73196
183 5MU6 MYA 7.73196
184 1SR7 MOF 7.73196
185 2D5Z L35 7.80142
186 3U5S FAD 7.93651
187 3I59 N6R 8.03213
188 3WUR O4B 8.18713
189 5EP2 AZU 8.20312
190 2J8C SPO 8.24742
191 2J8C U10 8.24742
192 6AU6 GDP 8.24742
193 6C0B PAM 8.24742
194 5W7B MYR 8.51064
195 6GMN F4E 8.65385
196 3L9R L9Q 8.76289
197 3L9R L9R 8.76289
198 3HUJ AGH 9.09091
199 3T6E UQ9 9.27835
200 3OV6 MK0 9.27835
201 1HG4 LPP 9.27835
202 5C9J DAO 9.27835
203 4B7P 9UN 9.79381
204 1LVK MNT BEF 9.79381
205 3GGO NAI 9.79381
206 3GGO ENO 9.79381
207 5W7U GY8 9.79381
208 3RY9 1CA 9.79381
209 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 10.084
210 5J6A P46 10.3093
211 1ZPT FAD 10.3093
212 6CB2 OLC 10.3093
213 3HR1 PF9 10.3093
214 2J1P GRG 10.3093
215 1I0B PEL 10.3093
216 4H07 IPH 10.3896
217 3JUQ AJD 10.8108
218 3SFI 3SF 10.8247
219 5K53 STE 10.8247
220 5K52 OCD 10.8247
221 5OLK DTP 10.8247
222 5EE7 5MV 10.8247
223 3ZLR X0B 11.3924
224 5ODQ 9SB 11.4286
225 5X80 SAL 11.875
226 4COL DTP 12.3711
227 4XB4 45D 13.1579
228 3WYJ H78 13.4021
229 5AG3 3EB 13.4021
230 5Z84 CHD 13.7615
231 2DYR PEK 13.7615
232 2DYS PEK 13.7615
233 5Z84 PEK 13.7615
234 5ZCO CHD 13.7615
235 5ZCO PGV 13.7615
236 5Z84 PGV 13.7615
237 2DYS TGL 13.7615
238 5ZCO TGL 13.7615
239 2DYR TGL 13.7615
240 2DYR PGV 13.7615
241 2DYS PGV 13.7615
242 5ZCO PEK 13.7615
243 5Z84 TGL 13.7615
244 2DYR PSC 13.7615
245 4DM8 REA 13.8577
246 3RDE OYP 13.9175
247 2AX9 BHM 13.9175
248 3V49 PK0 13.9175
249 2OFV 242 14.433
250 2PV7 NAD 16.4948
251 3N7S 3N7 16.6667
252 5C2H 4XU 17.0103
253 1DKF BMS 17.0103
254 2FKW RG1 20.7547
255 5UI2 EQ3 21.134
256 3KMZ EQO 25.7732
Pocket No.: 2; Query (leader) PDB : 3L1N; Ligand: PLM; Similar sites found with APoc: 6
This union binding pocket(no: 2) in the query (biounit: 3l1n.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5VRH OLB 4.12371
2 1ZED PNP 5.6701
3 4XCP PLM 7.05882
4 5W97 CHD 13.7615
5 5TVI MYR 17.3913
6 4OGQ 7PH 29.0323
Pocket No.: 3; Query (leader) PDB : 3L1N; Ligand: PLM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3l1n.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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