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 199 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 1068 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 922 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: 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 : 3L1N; Ligand: PLM; Similar sites found: 99
This union binding pocket(no: 1) in the query (biounit: 3l1n.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UVC STE 0.003668 0.45655 None
2 4WG0 CHD 0.003525 0.43645 None
3 5N1X 8HH 0.001593 0.43307 None
4 1UO5 PIH 0.01172 0.41438 None
5 4POJ 2VP 0.01823 0.41415 None
6 3V2Q PLM 0.03032 0.40921 None
7 1JR8 FAD 0.02173 0.40864 None
8 2Q1H AS4 0.01753 0.40845 None
9 2WOR 2AN 0.003309 0.40773 None
10 5CHR 4NC 0.01297 0.40288 None
11 1OQC FAD 0.03068 0.4023 None
12 1M13 HYF 0.00721 0.445 1.03093
13 2QE4 JJ3 0.03483 0.42439 1.54639
14 3KDU NKS 0.04241 0.41732 1.54639
15 2E2R 2OH 0.03133 0.41404 1.54639
16 4TV1 36M 0.008859 0.40757 1.54639
17 4MGA 27L 0.01507 0.40476 1.54639
18 2QZO KN1 0.02082 0.40462 1.54639
19 3G9E RO7 0.006851 0.44862 2.06186
20 3FUR Z12 0.02738 0.42644 2.06186
21 3H0A D30 0.02126 0.41488 2.06186
22 1J78 VDY 0.004921 0.41046 2.06186
23 1FM9 9CR 0.0267 0.40078 2.06186
24 1L6O SER LEU LYS LEU MET THR THR VAL 0.01154 0.42601 2.10526
25 2C0U FAD NBT 0.0228 0.4246 2.57732
26 1SVK ALF GDP 0.04209 0.40155 2.57732
27 3RLB VIB 0.01654 0.40172 2.60417
28 5B4B LP5 0.001249 0.4827 3.09278
29 5AHS SIN 0.004912 0.42534 3.09278
30 5L7G 6QE 0.02047 0.40999 3.09278
31 1LN1 DLP 0.04873 0.40146 3.09278
32 2EV1 OLA 0.01178 0.42246 3.60825
33 2OBD 2OB 0.03041 0.41578 3.60825
34 5CUQ NSC 0.037 0.40799 3.60825
35 2OBD PCW 0.03868 0.4047 3.60825
36 1MGP PLM 0.036 0.40142 3.60825
37 2UW1 GVM 0.005085 0.40059 3.60825
38 2RHO GDP 0.0195 0.40029 3.60825
39 4ZOM 4Q3 0.02723 0.44172 4.12371
40 3E8T UQ8 0.02641 0.43333 4.12371
41 4C2X NHW 0.03455 0.41654 4.12371
42 5V3Y 5V8 0.008425 0.41392 4.12371
43 1IID NHM 0.009322 0.44783 4.63918
44 2A1L PCW 0.01086 0.44702 4.63918
45 4RC8 STE 0.006078 0.43732 4.63918
46 1T27 PCW 0.04306 0.41296 4.63918
47 4MNS 2AX 0.01589 0.44126 5.03145
48 2IBZ UQ6 0.007588 0.42887 5.15464
49 3KYQ DPV 0.003839 0.42521 5.52764
50 3TJH SER PRO LEU ASP SER LEU TRP TRP ILE 0.01933 0.43046 5.55556
51 2Q8H TF4 0.008562 0.41966 5.6701
52 1OE0 TTP 0.02997 0.40564 5.6701
53 1NHZ 486 0.0293 0.40186 5.6701
54 1JGS SAL 0.01082 0.4411 5.7971
55 2Z7I 742 0.02551 0.44114 6.17647
56 5OCA 9QZ 0.0008571 0.46682 6.18557
57 2YNC YNC 0.01738 0.42901 6.18557
58 4P6X HCY 0.008966 0.42516 6.18557
59 3BQD DAY 0.01092 0.42251 6.18557
60 1W5F G2P 0.03348 0.40309 6.18557
61 1XZ3 ICF 0.006353 0.42867 6.89655
62 4XIZ LPP 0.04809 0.40178 7.05882
63 3MBG FAD 0.005368 0.44491 7.19424
64 3WCA FPS 0.009336 0.43647 7.2165
65 1OLM VTQ 0.02125 0.4149 7.2165
66 1O6U PLM 0.01035 0.41411 7.2165
67 4OMJ 2TX 0.02956 0.41327 7.2165
68 2D5Z L35 0.02474 0.44626 7.80142
69 3U5S FAD 0.0279 0.40141 7.93651
70 3I59 N6R 0.01965 0.40591 8.03213
71 5EP2 AZU 0.02074 0.40644 8.20312
72 4BKJ STI 0.03984 0.404 8.24742
73 3L9R L9Q 0.002918 0.4685 8.76289
74 3L9R L9R 0.02555 0.4178 8.76289
75 3HUJ AGH 0.02532 0.42915 9.09091
76 3T6E UQ9 0.0004169 0.51776 9.27835
77 3OV6 MK0 0.004234 0.45602 9.27835
78 1HG4 LPP 0.02705 0.40933 9.27835
79 4B7P 9UN 0.03009 0.42415 9.79381
80 3GGO ENO 0.04512 0.41182 9.79381
81 3GGO NAI 0.04512 0.41182 9.79381
82 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.004157 0.45368 10.084
83 3HR1 PF9 0.003003 0.45134 10.3093
84 5EE7 5MV 0.01144 0.4034 10.8247
85 5IR4 ZPE 0.005178 0.46378 11.3402
86 4COL DTP 0.01205 0.41289 12.3711
87 4XB4 45D 0.02908 0.40204 13.1579
88 5AG3 3EB 0.01897 0.4009 13.4021
89 2DYR PGV 0.02679 0.41979 13.7615
90 2DYR PSC 0.03989 0.40159 13.7615
91 4DM8 REA 0.01835 0.41086 13.8577
92 3RDE OYP 0.01274 0.42069 13.9175
93 2AX9 BHM 0.03175 0.41857 13.9175
94 3V49 PK0 0.02163 0.41173 13.9175
95 2OFV 242 0.0349 0.41149 14.433
96 1N8V BDD 0.03737 0.40775 15.1786
97 1DKF BMS 0.01475 0.41738 17.0103
98 2FKW RG1 0.02406 0.41203 20.7547
99 3KMZ EQO 0.03614 0.40263 25.7732
Pocket No.: 2; Query (leader) PDB : 3L1N; Ligand: PLM; Similar sites found: 86
This union binding pocket(no: 2) in the query (biounit: 3l1n.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2V5E SCR 0.0001167 0.53998 None
2 3F8C HT1 0.00003077 0.51373 None
3 2W3L DRO 0.0008473 0.48465 None
4 2QLX RM4 0.006442 0.42632 None
5 1NF8 BOG 0.008466 0.42084 None
6 4EXO PYR 0.01361 0.4175 None
7 1PTR PRB 0.01539 0.40883 None
8 3UEC ALA ARG TPO LYS 0.02338 0.40039 None
9 3R51 MMA 0.004021 0.45088 0.515464
10 3E6J DR2 0.03861 0.4047 1.03093
11 4M51 BEZ 0.001366 0.4654 1.54639
12 1W3R PYR 0.01116 0.42165 1.54639
13 4JWX 1N4 0.005214 0.41292 1.54639
14 3R6K FUC GAL GLA 0.002619 0.44435 2.06186
15 1ULE GLA GAL NAG 0.01087 0.42221 2.06186
16 1XE7 GUN 0.03162 0.4059 2.57732
17 2QCX PF1 0.01235 0.40226 2.57732
18 1TUV VK3 0.02692 0.40943 2.63158
19 1HFA PIO 0.00007471 0.52895 3.09278
20 1Z44 NPO 0.002912 0.47749 3.09278
21 1H16 PYR 0.003407 0.44639 3.09278
22 1PEA ACM 0.01004 0.42387 3.09278
23 1Z42 HBA 0.03254 0.41776 3.09278
24 3W8S GSH 0.008737 0.40872 3.09278
25 1H16 DTL 0.03202 0.40562 3.09278
26 2OWZ CIT 0.01562 0.40298 3.09278
27 2Z9V PXM 0.009978 0.40123 3.09278
28 4B9E FAH 0.005278 0.43032 3.60825
29 1SS4 GSH 0.003372 0.48188 3.92157
30 3MAG 3MA 0.008104 0.44383 4.12371
31 3U7Y FLC 0.01641 0.44058 4.12371
32 2XDQ MGX 0.006993 0.43886 4.12371
33 4RJK PYR 0.009338 0.42538 4.12371
34 1YHM AHD 0.005018 0.41906 4.12371
35 4QVH FLC 0.04093 0.4163 4.12371
36 1RYD GLC 0.007951 0.41605 4.12371
37 4JCA CIT 0.006932 0.44738 4.19162
38 1GPJ CIT 0.01689 0.40146 4.20792
39 4W6Z ETF 0.001553 0.46274 4.63918
40 1RYI GOA 0.0125 0.45155 4.63918
41 3ZGE ASP 0.005307 0.43716 4.63918
42 1HSJ GLC 0.02653 0.42468 4.63918
43 3QDY A2G GAL 0.006911 0.43166 4.8951
44 3QDT A2G GAL 0.01354 0.41762 4.8951
45 3F81 STT 0.03314 0.40486 4.91803
46 1O9U ADZ 0.0129 0.42552 5.15464
47 3L6R MLI 0.01103 0.41553 5.15464
48 2W8Q SIN 0.01189 0.41403 5.15464
49 4DYO SD4 0.008078 0.40025 5.15464
50 1JAC AMG 0.01961 0.42368 5.26316
51 3CEV ARG 0.001147 0.43423 5.6701
52 1DXY COI 0.009806 0.4315 5.6701
53 1XVV CCQ 0.001579 0.42892 5.6701
54 2XI7 XI7 0.0008921 0.50564 5.97826
55 1T0S BML 0.0008126 0.4762 6.18557
56 3TKA CTN 0.01125 0.44659 6.18557
57 4M5P MLA 0.0313 0.41295 6.18557
58 4DN8 BMA 0.01242 0.40743 6.41026
59 4WBD CIT 0.02382 0.40577 7.2165
60 3NFZ 3NF 0.001 0.42571 7.73196
61 3P3N AKG 0.01061 0.41046 7.73196
62 1H2M OGA 0.01319 0.40625 7.73196
63 3U1T MLI 0.0001572 0.50057 8.24742
64 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.006103 0.43425 8.24742
65 4JLV ADP 0.04145 0.41005 8.76289
66 1NU4 MLA 0.01344 0.441 9.27835
67 4P9Z NMI PTR 02K ASN NH2 0.0002894 0.46488 9.40171
68 1C1L GAL BGC 0.01612 0.4079 9.48905
69 3ZUY TCH 0.005256 0.40302 9.79381
70 1Y1A GSH 0.03324 0.41709 9.83607
71 2YIV NBN 0.005622 0.42905 10.3093
72 2YIV YIV 0.02275 0.40673 10.3093
73 2P4Q FLC 0.0172 0.40111 10.3093
74 1H8G CHT 0.01374 0.44047 10.5263
75 2BZ1 TAU 0.00153 0.49282 11.3402
76 4O8A 2OP 0.004962 0.44631 11.3402
77 3L24 GOA 0.004275 0.44955 12.3711
78 9LDT OXM 0.01407 0.43126 14.433
79 1I0Z OXM 0.02025 0.41567 14.433
80 2BO4 FLC 0.01255 0.41293 14.433
81 2AMV BIN 0.0104 0.4071 14.433
82 1Y7P RIP 0.008935 0.4263 14.9485
83 2YLD CMO 0.0028 0.43619 14.9606
84 1O68 KIV 0.008556 0.404 15.9794
85 1BTN I3P 0.0009094 0.51152 16.9811
86 2JC9 ADN 0.002627 0.42525 21.134
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