Receptor
PDB id Resolution Class Description Source Keywords
1MDC 1.75 Å NON-ENZYME: BINDING CRYSTALLIZATION, STRUCTURE DETERMINATION AND LEAST-SQUARES R TO 1.75 ANGSTROMS RESOLUTION OF THE FATTY-ACID-BINDING PROTI SOLATED FROM MANDUCA SEXTA L MANDUCA SEXTA BINDING PROTEIN
Ref.: CRYSTALLIZATION, STRUCTURE DETERMINATION AND LEAST-REFINEMENT TO 1.75 A RESOLUTION OF THE FATTY-ACID-B PROTEIN ISOLATED FROM MANDUCA SEXTA L. J.MOL.BIOL. V. 228 208 1992
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLM A:133;
Valid;
none;
submit data
256.424 C16 H32 O2 CCCCC...
SO4 A:200;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MDC 1.75 Å NON-ENZYME: BINDING CRYSTALLIZATION, STRUCTURE DETERMINATION AND LEAST-SQUARES R TO 1.75 ANGSTROMS RESOLUTION OF THE FATTY-ACID-BINDING PROTI SOLATED FROM MANDUCA SEXTA L MANDUCA SEXTA BINDING PROTEIN
Ref.: CRYSTALLIZATION, STRUCTURE DETERMINATION AND LEAST-REFINEMENT TO 1.75 A RESOLUTION OF THE FATTY-ACID-B PROTEIN ISOLATED FROM MANDUCA SEXTA L. J.MOL.BIOL. V. 228 208 1992
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1MDC - 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 1MDC - 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 1MDC - 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 : 1MDC; Ligand: PLM; Similar sites found: 173
This union binding pocket(no: 1) in the query (biounit: 1mdc.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2V0U FMN 0.0006128 0.45177 None
2 5J3Z 6FQ 0.002347 0.44912 None
3 3KP6 SAL 0.006625 0.4433 None
4 5EFW FMN 0.0009825 0.44281 None
5 5DJU FMN 0.0008268 0.44197 None
6 4R38 RBF 0.0008313 0.44187 None
7 4EES FMN 0.001052 0.43749 None
8 4RFR RHN 0.001887 0.43042 None
9 3T50 FMN 0.002215 0.42738 None
10 5SVV FMN 0.001865 0.42685 None
11 4WG0 CHD 0.01414 0.42216 None
12 5HWV MBN 0.01302 0.4202 None
13 5I0U DCY 0.01278 0.41186 None
14 1X8D RNS 0.0205 0.41099 None
15 2FCU AKG 0.02576 0.40452 None
16 2OVD DAO 0.03023 0.40208 None
17 1Y9Q MED 0.0216 0.40981 1.51515
18 1SN0 T44 0.006258 0.42277 1.53846
19 1Y7P RIP 0.0108 0.42276 2.27273
20 3M3E GAL A2G NPO 0.01877 0.41485 2.27273
21 2Z6C FMN 0.001419 0.43583 2.32558
22 4UMJ BFQ 0.005533 0.43418 3.0303
23 4MGA 27L 0.01295 0.42835 3.0303
24 3GM5 CIT 0.01049 0.42797 3.0303
25 4B1L FRU 0.01599 0.41518 3.0303
26 3HAV ATP 0.01799 0.41428 3.0303
27 5TFZ 7BC 0.01531 0.41213 3.0303
28 5AIG VPR 0.002182 0.44955 3.2
29 4K55 H6P 0.000008743 0.59401 3.22581
30 1N9L FMN 0.001743 0.43193 3.66972
31 4H2W AMP 0.0005414 0.46335 3.78788
32 4H2W 5GP 0.0005541 0.45817 3.78788
33 4DSU BZI 0.00359 0.45473 3.78788
34 4H2V AMP 0.0004138 0.45064 3.78788
35 4H2X G5A 0.0007674 0.4475 3.78788
36 1DZK PRZ 0.001262 0.44658 3.78788
37 3MF2 AMP 0.0006886 0.43752 3.78788
38 4XCB AKG 0.007514 0.43256 3.78788
39 2QL9 CIT 0.01097 0.42877 3.78788
40 4AZW ATP 0.002318 0.4228 3.78788
41 1QKQ MAN 0.001364 0.4193 3.78788
42 4QM9 CYS 0.01791 0.41397 3.78788
43 5W10 CMP 0.006584 0.40667 3.78788
44 4H6B 10X 0.02139 0.40477 3.78788
45 1OBD ATP 0.01676 0.40222 3.78788
46 2Z6D FMN 0.002272 0.4269 3.84615
47 3JQ3 ADP 0.007209 0.42409 4.54545
48 5LUN OGA 0.01098 0.42404 4.54545
49 4XBT FLC 0.005845 0.41246 4.54545
50 3B6R ADP 0.008649 0.40837 4.54545
51 5MX4 HPA 0.01983 0.40836 4.54545
52 3G5N PB2 0.0247 0.40244 4.54545
53 4RJD TFP 0.02926 0.40165 4.54545
54 4NS0 PIO 0.03247 0.40152 4.54545
55 4K10 NI9 0.0165 0.4015 4.54545
56 4MOB ADP 0.002196 0.46363 5.30303
57 5F6U 5VK 0.003901 0.44385 5.30303
58 2WKQ FMN 0.0009961 0.44255 5.30303
59 4OCT AKG 0.003954 0.43689 5.30303
60 2AGC DAO 0.006949 0.42944 5.30303
61 3RGA LSB 0.004494 0.42138 5.30303
62 5C1P ADP 0.00703 0.42035 5.30303
63 3AVS OGA 0.0114 0.41861 5.30303
64 4REI 3MV 0.01752 0.4158 5.30303
65 5TPU TYD 0.01487 0.41399 5.30303
66 1V7R CIT 0.009047 0.41393 5.30303
67 4C1K PEP 0.02235 0.408 5.30303
68 3PGU OLA 0.01706 0.40568 5.30303
69 1WZ1 DNS 0.02553 0.40566 5.69106
70 5HV7 RBL 0.0002579 0.45745 6.06061
71 5DKK FMN 0.0005738 0.45302 6.06061
72 1VJ7 GPX 0.004224 0.44645 6.06061
73 4GCZ FMN 0.00176 0.43175 6.06061
74 3ACL 3F1 0.003354 0.42719 6.06061
75 3T4L ZEA 0.003643 0.42164 6.06061
76 3AQT RCO 0.02108 0.41424 6.06061
77 4QDC ASD 0.006975 0.41265 6.06061
78 5N17 8FK 0.0249 0.40886 6.06061
79 1GQG DCD 0.004032 0.40595 6.06061
80 4BPZ GLC BGC BGC 0.02177 0.40439 6.06061
81 5DYO FLU 0.001577 0.46771 6.13208
82 2VDF OCT 0.005692 0.40948 6.81818
83 1OF8 PEP 0.0214 0.40476 6.81818
84 1O4T OXL 0.03663 0.40302 6.81818
85 4WUJ FMN 0.0007665 0.44753 7.57576
86 2HZQ STR 0.01197 0.42325 7.57576
87 4M1U A2G MBG 0.009044 0.42119 7.57576
88 4RDL FUC GAL NDG FUC 0.01431 0.42002 7.57576
89 3QPB URA 0.01595 0.41751 7.57576
90 3SLS 77D 0.004552 0.41732 7.57576
91 4JWX 1N4 0.01973 0.41082 7.57576
92 5HCN DAO 0.01997 0.41055 7.57576
93 5DJ5 GR2 0.02188 0.40428 7.57576
94 2G30 ALA ALA PHE 0.0001226 0.54486 8.33333
95 3ZJX BOG 0.0003628 0.50604 8.33333
96 4WOE ADP 0.0009208 0.48345 8.33333
97 3P7N FMN 0.0006703 0.45007 8.33333
98 2PR5 FMN 0.001193 0.43914 8.33333
99 2ZMF CMP 0.001415 0.43589 8.33333
100 1GXS DKA 0.01158 0.42537 8.33333
101 1QY1 PRZ 0.0029 0.41516 8.33333
102 4U98 ACP 0.008868 0.40787 8.33333
103 3K3K A8S 0.005229 0.40765 8.33333
104 4R29 SAM 0.01952 0.40678 8.33333
105 4IEN GDP 0.009574 0.40635 8.33333
106 2QHV OC9 0.02577 0.40066 8.33333
107 4RQL SNE 0.02628 0.40023 8.33333
108 5FQK 6NT 0.0008709 0.48393 8.55019
109 1U18 HSM 0.000554 0.50336 9.09091
110 3A16 PXO 0.003056 0.44843 9.09091
111 4CIB 7UZ 0.005515 0.44108 9.09091
112 1MO9 FAD 0.02127 0.4186 9.09091
113 1MO9 KPC 0.02226 0.41814 9.09091
114 5J75 6GQ 0.007667 0.41077 9.09091
115 3FW4 CAQ 0.00192 0.40794 9.09091
116 4IAW LIZ 0.01664 0.40621 9.09091
117 3V8S 0HD 0.01 0.40548 9.09091
118 5MOB A8S 0.01838 0.40408 9.09091
119 2XG5 EC2 0.005789 0.44474 9.84848
120 2XG5 EC5 0.005789 0.44474 9.84848
121 1J78 VDY 0.003473 0.4446 9.84848
122 2ET1 GLV 0.006811 0.43781 9.84848
123 2WA4 069 0.003146 0.43707 9.84848
124 3P3N AKG 0.01226 0.42277 9.84848
125 1H2K OGA 0.01459 0.41822 9.84848
126 5JP0 BGC 0.0156 0.41687 9.84848
127 1H2M OGA 0.01556 0.41668 9.84848
128 2XUM OGA 0.01622 0.41543 9.84848
129 5X20 AOT 0.02533 0.40617 9.84848
130 3N2O AG2 0.02944 0.40379 9.84848
131 5DCH 1YO 0.01374 0.41982 10.6061
132 3B00 16A 0.009979 0.41715 10.6061
133 4FE2 AIR 0.01566 0.40751 10.6061
134 4A38 BZS 0.03408 0.4015 10.6061
135 3KFF XBT 0.005333 0.44026 11.3636
136 3KFF ZBT 0.005333 0.44026 11.3636
137 3CBC DBS 0.009158 0.43225 11.3636
138 2GC0 PAN 0.009019 0.40402 11.3636
139 3VOT ADP 0.01896 0.40341 11.3636
140 5DJT FMN 0.0008673 0.44518 11.4754
141 1I7E IBS 0.01177 0.42424 12.1212
142 4XMF HSM 0.0001549 0.52134 12.8788
143 2YKL NLD 0.00615 0.42313 12.8788
144 3OJI PYV 0.005049 0.40831 12.8788
145 5VNF VAL THR SER VAL VAL 0.002571 0.45116 13.6364
146 4L4J NAG NAG BMA MAN NAG 0.004775 0.40329 15.9091
147 5KO1 6UY 0.01232 0.40132 15.9091
148 5KJW 53C 0.004902 0.44505 16.6667
149 3OPT AKG 0.02422 0.40752 16.6667
150 1N5S ADL 0.00362 0.42567 16.9643
151 2QQD AG2 0.00603 0.4375 16.9811
152 1MT1 AG2 0.009625 0.427 17.3077
153 3N9P OGA 0.01587 0.41776 17.4242
154 3N9O OGA 0.01581 0.41675 17.4242
155 3N9Q OGA 0.01966 0.41117 17.4242
156 3PUR 2HG 0.02616 0.40684 17.4242
157 3H0L ADP 0.02164 0.40058 17.4242
158 4BG4 ADP 0.005558 0.41344 18.1818
159 5A7V MAN 0.03258 0.40038 18.1818
160 3E2M E2M 0.001228 0.41569 20.4545
161 4XQM MAN 0.009909 0.42321 22.3404
162 4BQY FNT 0.003436 0.41548 25
163 2Q8E OGA 0.01967 0.41276 26.5152
164 2YBP 2HG 0.01968 0.41257 26.5152
165 2OS2 OGA 0.02412 0.40769 26.5152
166 5L8N 6RQ 0.0355 0.4023 34.375
167 3MTX PGT 0.006014 0.41044 37.1212
168 4BVM PLM 0.000003832 0.53588 39.3939
169 4BVM VCA 0.000005041 0.5253 39.3939
170 1LFO OLA 0.005532 0.40999 39.8438
171 5XNA SHV 0.000006722 0.60344 43.1818
172 1VYF OLA 0.000004138 0.519 44.697
173 1OPB RET 0.003933 0.41647 46.2121
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