Receptor
PDB id Resolution Class Description Source Keywords
4D6B 2.12 Å NON-ENZYME: OTHER HUMAN MYELIN PROTEIN P2, MUTANT P38G HOMO SAPIENS STRUCTURAL PROTEIN
Ref.: DYNAMICS OF THE PERIPHERAL MEMBRANE PROTEIN P2 FROM MYELIN MEASURED BY NEUTRON SCATTERING-A COMPARISON WILD-TYPE PROTEIN AND A HINGE MUTANT. PLOS ONE V. 10 28954 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:1138;
A:1133;
A:1137;
A:1132;
A:1135;
A:1136;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
PLM A:1134;
Valid;
none;
submit data
256.424 C16 H32 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BVM 0.93 Å NON-ENZYME: OTHER THE PERIPHERAL MEMBRANE PROTEIN P2 FROM HUMAN MYELIN AT ATOMIC RESOLUTION HOMO SAPIENS MEMBRANE PROTEIN FABP ULTRAHIGH RESOLUTION
Ref.: ATOMIC RESOLUTION VIEW INTO THE STRUCTURE-FUNCTION RELATIONSHIPS OF THE HUMAN MYELIN PERIPHERAL MEMBRA PROTEIN P2 ACTA CRYSTALLOGR.,SECT.D V. 70 165 2014
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2WUT - PLM C16 H32 O2 CCCCCCCCCC....
2 4BVM - PLM C16 H32 O2 CCCCCCCCCC....
3 4D6B - PLM C16 H32 O2 CCCCCCCCCC....
4 5N4Q - PLM C16 H32 O2 CCCCCCCCCC....
5 4D6A - PLM C16 H32 O2 CCCCCCCCCC....
6 5N4P - PLM C16 H32 O2 CCCCCCCCCC....
7 5N4M - PLM C16 H32 O2 CCCCCCCCCC....
70% Homology Family (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1G74 Kd = 0.3 uM OLA C18 H34 O2 CCCCCCCCC=....
2 3FR5 ic50 = 0.069 uM I4A C22 H22 N2 O3 c1cc(cc(c1....
3 1LIE - PPI C3 H6 O2 CCC(=O)O
4 3FR4 ic50 = 0.049 uM F8A C21 H18 F3 N O2 c1ccc(c(c1....
5 2HNX - PLM C16 H32 O2 CCCCCCCCCC....
6 1ADL Kd = 4.4 uM ACD C20 H32 O2 CCCCCC=C/C....
7 5EDB Ki = 0.1 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
8 1TOU ic50 = 1 uM B1V C12 H14 F3 N3 O2 S c1c(nc(nc1....
9 1LID - OLA C18 H34 O2 CCCCCCCCC=....
10 1LIF - STE C18 H36 O2 CCCCCCCCCC....
11 3JSQ - HNE C9 H16 O2 CCCCC[C@H]....
12 1TOW ic50 = 0.57 uM CRZ C16 H15 N O2 c1ccc2c(c1....
13 5EDC Ki = 0.022 uM 5M7 C21 H19 Cl N2 O2 c1ccc(cc1)....
14 5HZ8 Ki = 0.016 uM 65Z C21 H18 Cl2 N2 O2 c1ccc(cc1)....
15 3HK1 Ki = 0.67 uM B64 C14 H11 N O5 S2 COC(=O)c1c....
16 1LIC - PPI C3 H6 O2 CCC(=O)O
17 2NNQ Ki < 2 nM T4B C31 H26 N2 O3 CCc1c(c(nn....
18 3FR2 ic50 = 0.59 uM 8CA C20 H19 N O2 c1ccc(cc1)....
19 2ANS Kd = 1.2 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
20 5HZ6 Ki = 0.016 uM 65Y C22 H22 Cl N O2 CC(C)c1ccc....
21 3WBG - 2AN C16 H13 N O3 S c1ccc(cc1)....
22 5D4A - 57Q C17 H15 N O2 c1ccc(cc1)....
23 5D47 Ki = 0.1 uM L19 C26 H24 N2 O3 COc1cnccc1....
24 5D48 Ki = 0.03 uM L96 C28 H31 N3 O3 Cc1c(c(n[n....
25 5D45 Ki = 0.12 uM 57P C26 H23 N O2 c1ccc(cc1)....
26 5URA Ki = 0.4 uM 8KS C28 H22 O4 c1ccc(cc1)....
27 1FDQ Kd = 53.4 nM HXA C22 H32 O2 CCC=C/CC=C....
28 4TKB - DAO C12 H24 O2 CCCCCCCCCC....
29 4TJZ - DKA C10 H20 O2 CCCCCCCCCC....
30 1HMT Kd = 1.64 uM STE C18 H36 O2 CCCCCCCCCC....
31 4TKJ - PLM C16 H32 O2 CCCCCCCCCC....
32 5HZ9 Ki = 0.093 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
33 4WBK - STE C18 H36 O2 CCCCCCCCCC....
34 3WVM - STE C18 H36 O2 CCCCCCCCCC....
35 4TKH - MYR C14 H28 O2 CCCCCCCCCC....
36 1HMR Kd = 0.28 uM ELA C18 H34 O2 CCCCCCCCC=....
37 1HMS Kd = 0.43 uM OLA C18 H34 O2 CCCCCCCCC=....
38 2HMB - PLM C16 H32 O2 CCCCCCCCCC....
39 2WUT - PLM C16 H32 O2 CCCCCCCCCC....
40 4BVM - PLM C16 H32 O2 CCCCCCCCCC....
41 4D6B - PLM C16 H32 O2 CCCCCCCCCC....
42 5N4Q - PLM C16 H32 O2 CCCCCCCCCC....
43 4D6A - PLM C16 H32 O2 CCCCCCCCCC....
44 5N4P - PLM C16 H32 O2 CCCCCCCCCC....
45 5N4M - PLM C16 H32 O2 CCCCCCCCCC....
46 2Q9S - EIC C18 H32 O2 CCCCCC=C/C....
47 2QM9 Kd = 17 nM TDZ C24 H27 N O5 S Cc1c(c2c(c....
48 5BVT - PAM C16 H30 O2 CCCCCCC=C/....
49 4AZQ - G2A C23 H46 O4 CCCCCCCCCC....
50 4AZP Ki = 1.26 uM A9M C22 H45 N O2 CCCCCCCCCC....
51 5BVS - EIC C18 H32 O2 CCCCCC=C/C....
50% Homology Family (104)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 1G74 Kd = 0.3 uM OLA C18 H34 O2 CCCCCCCCC=....
2 3FR5 ic50 = 0.069 uM I4A C22 H22 N2 O3 c1cc(cc(c1....
3 1LIE - PPI C3 H6 O2 CCC(=O)O
4 3FR4 ic50 = 0.049 uM F8A C21 H18 F3 N O2 c1ccc(c(c1....
5 2HNX - PLM C16 H32 O2 CCCCCCCCCC....
6 1ADL Kd = 4.4 uM ACD C20 H32 O2 CCCCCC=C/C....
7 5EDB Ki = 0.1 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
8 1TOU ic50 = 1 uM B1V C12 H14 F3 N3 O2 S c1c(nc(nc1....
9 1LID - OLA C18 H34 O2 CCCCCCCCC=....
10 1LIF - STE C18 H36 O2 CCCCCCCCCC....
11 3JSQ - HNE C9 H16 O2 CCCCC[C@H]....
12 1TOW ic50 = 0.57 uM CRZ C16 H15 N O2 c1ccc2c(c1....
13 5EDC Ki = 0.022 uM 5M7 C21 H19 Cl N2 O2 c1ccc(cc1)....
14 5HZ8 Ki = 0.016 uM 65Z C21 H18 Cl2 N2 O2 c1ccc(cc1)....
15 3HK1 Ki = 0.67 uM B64 C14 H11 N O5 S2 COC(=O)c1c....
16 1LIC - PPI C3 H6 O2 CCC(=O)O
17 2NNQ Ki < 2 nM T4B C31 H26 N2 O3 CCc1c(c(nn....
18 3FR2 ic50 = 0.59 uM 8CA C20 H19 N O2 c1ccc(cc1)....
19 2ANS Kd = 1.2 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
20 5HZ6 Ki = 0.016 uM 65Y C22 H22 Cl N O2 CC(C)c1ccc....
21 5L8N Kd = 31 uM 6RQ C9 H11 N3 Cc1cc2c(cc....
22 3WBG - 2AN C16 H13 N O3 S c1ccc(cc1)....
23 5HZ5 Ki = 0.086 uM 65X C21 H19 Cl N6 c1ccc(cc1)....
24 5UR9 Ki = 0.9 uM 8KS C28 H22 O4 c1ccc(cc1)....
25 1B56 - PLM C16 H32 O2 CCCCCCCCCC....
26 5D4A - 57Q C17 H15 N O2 c1ccc(cc1)....
27 5D47 Ki = 0.1 uM L19 C26 H24 N2 O3 COc1cnccc1....
28 5D48 Ki = 0.03 uM L96 C28 H31 N3 O3 Cc1c(c(n[n....
29 5D45 Ki = 0.12 uM 57P C26 H23 N O2 c1ccc(cc1)....
30 5URA Ki = 0.4 uM 8KS C28 H22 O4 c1ccc(cc1)....
31 1FDQ Kd = 53.4 nM HXA C22 H32 O2 CCC=C/CC=C....
32 2G78 - REA C20 H28 O2 CC1=C(C(CC....
33 2CBS Ki = 6 nM R13 C23 H30 O2 CC(=C/C(=O....
34 1CBS - REA C20 H28 O2 CC1=C(C(CC....
35 2FR3 Kd = 2 nM REA C20 H28 O2 CC1=C(C(CC....
36 3CWK Kd = 250 nM REA C20 H28 O2 CC1=C(C(CC....
37 3CBS Ki = 58 nM R12 C20 H24 O3 Cc1cc(c(c(....
38 2G79 Kd = 120 nM RET C20 H28 O CC1=C(C(CC....
39 2G7B - AZE C20 H30 CC=C(/C)C=....
40 1CBQ - RE9 C20 H28 O2 CC(=C/C(=O....
41 4TKB - DAO C12 H24 O2 CCCCCCCCCC....
42 4TJZ - DKA C10 H20 O2 CCCCCCCCCC....
43 1HMT Kd = 1.64 uM STE C18 H36 O2 CCCCCCCCCC....
44 4TKJ - PLM C16 H32 O2 CCCCCCCCCC....
45 5HZ9 Ki = 0.093 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
46 4WBK - STE C18 H36 O2 CCCCCCCCCC....
47 3WVM - STE C18 H36 O2 CCCCCCCCCC....
48 4TKH - MYR C14 H28 O2 CCCCCCCCCC....
49 1HMR Kd = 0.28 uM ELA C18 H34 O2 CCCCCCCCC=....
50 1HMS Kd = 0.43 uM OLA C18 H34 O2 CCCCCCCCC=....
51 2HMB - PLM C16 H32 O2 CCCCCCCCCC....
52 3VG3 - PLM C16 H32 O2 CCCCCCCCCC....
53 3B2H - PLM C16 H32 O2 CCCCCCCCCC....
54 3B2K - PLM C16 H32 O2 CCCCCCCCCC....
55 3VG6 - PLM C16 H32 O2 CCCCCCCCCC....
56 3VG5 - PLM C16 H32 O2 CCCCCCCCCC....
57 3VG7 - PLM C16 H32 O2 CCCCCCCCCC....
58 3STM - PLM C16 H32 O2 CCCCCCCCCC....
59 3VG2 - PLM C16 H32 O2 CCCCCCCCCC....
60 3B2I - PLM C16 H32 O2 CCCCCCCCCC....
61 3B2L - PLM C16 H32 O2 CCCCCCCCCC....
62 3B2J - PLM C16 H32 O2 CCCCCCCCCC....
63 3VG4 - PLM C16 H32 O2 CCCCCCCCCC....
64 2WUT - PLM C16 H32 O2 CCCCCCCCCC....
65 4BVM - PLM C16 H32 O2 CCCCCCCCCC....
66 4D6B - PLM C16 H32 O2 CCCCCCCCCC....
67 5N4Q - PLM C16 H32 O2 CCCCCCCCCC....
68 4D6A - PLM C16 H32 O2 CCCCCCCCCC....
69 5N4P - PLM C16 H32 O2 CCCCCCCCCC....
70 5N4M - PLM C16 H32 O2 CCCCCCCCCC....
71 1OPB Kd = 50 nM RET C20 H28 O CC1=C(C(CC....
72 2Q9S - EIC C18 H32 O2 CCCCCC=C/C....
73 2QM9 Kd = 17 nM TDZ C24 H27 N O5 S Cc1c(c2c(c....
74 2QO4 - CHD C24 H40 O5 C[C@H](CCC....
75 2QO6 - CHD C24 H40 O5 C[C@H](CCC....
76 2QO5 - CHD C24 H40 O5 C[C@H](CCC....
77 1TW4 - CHD C24 H40 O5 C[C@H](CCC....
78 5BVT - PAM C16 H30 O2 CCCCCCC=C/....
79 3ELZ - CHD C24 H40 O5 C[C@H](CCC....
80 3EM0 - CHD C24 H40 O5 C[C@H](CCC....
81 4AZQ - G2A C23 H46 O4 CCCCCCCCCC....
82 4AZP Ki = 1.26 uM A9M C22 H45 N O2 CCCCCCCCCC....
83 5LJG - PLM C16 H32 O2 CCCCCCCCCC....
84 5LJC Kd = 65 nM RTL C20 H30 O CC1=C(C(CC....
85 5HBS Kd = 18.5 nM RTL C20 H30 O CC1=C(C(CC....
86 5H8T Kd = 18.5 nM RTL C20 H30 O CC1=C(C(CC....
87 5LJE Kd = 250 nM RTL C20 H30 O CC1=C(C(CC....
88 5LJD Kd = 70 nM RTL C20 H30 O CC1=C(C(CC....
89 5LJB Kd = 4.5 nM RTL C20 H30 O CC1=C(C(CC....
90 1CRB - RTL C20 H30 O CC1=C(C(CC....
91 5HA1 Kd = 64.1 nM RNE C20 H31 N CC1=C(C(CC....
92 4QZU Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
93 4QYN Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
94 2RCT - RTL C20 H30 O CC1=C(C(CC....
95 4QZT Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
96 1VYF Kd = 9 nM OLA C18 H34 O2 CCCCCCCCC=....
97 1VYG Kd = 10 nM ACD C20 H32 O2 CCCCCC=C/C....
98 2FT9 - CHD C24 H40 O5 C[C@H](CCC....
99 2FTB - OLA C18 H34 O2 CCCCCCCCC=....
100 1ICM - MYR C14 H28 O2 CCCCCCCCCC....
101 1ICN - OLA C18 H34 O2 CCCCCCCCC=....
102 2IFB Ki = 3.6 uM PLM C16 H32 O2 CCCCCCCCCC....
103 5BVS - EIC C18 H32 O2 CCCCCC=C/C....
104 1KQW - RTL C20 H30 O CC1=C(C(CC....
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 : 4BVM; Ligand: VCA; Similar sites found: 54
This union binding pocket(no: 1) in the query (biounit: 4bvm.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3UUA 0CZ 0.002522 0.43713 None
2 4TUZ 36J 0.004412 0.42175 None
3 4MG9 27K 0.01326 0.41978 None
4 5H9Q TD2 0.008074 0.41559 None
5 4P6W MOF 0.002492 0.41455 None
6 4XBT 3ZQ 0.01107 0.41089 None
7 4MGB XDH 0.006709 0.40978 None
8 4MG7 27H 0.006859 0.40935 None
9 4P6X HCY 0.008533 0.40513 None
10 4GGZ BTN 0.01526 0.40418 None
11 2Q1H AS4 0.008322 0.40221 None
12 5L7G 6QE 0.005187 0.40144 None
13 4A7W GTP 0.01773 0.42329 2.25564
14 1M13 HYF 0.006084 0.41022 2.25564
15 3HP9 CF1 0.03272 0.40494 2.25564
16 4OIT MAN 0.007783 0.42847 2.65487
17 4OIT BMA 0.01222 0.41078 2.65487
18 4ZOM 4Q3 0.006299 0.4056 3.00752
19 1NKI PPF 0.02962 0.40162 3.00752
20 5DG2 GAL GLC 0.01012 0.40094 3.00752
21 1P0Z FLC 0.03072 0.40268 3.05344
22 1LOP SIN ALA PRO ALA NIT 0.009175 0.42983 3.7594
23 2YMZ LAT 0.009392 0.40724 3.84615
24 1N5S ADL 0.008513 0.40868 4.46429
25 2WHL MAN BMA BMA 0.01322 0.41743 4.51128
26 2R5V HHH 0.009734 0.41357 4.51128
27 2JIG PD2 0.0202 0.40603 4.51128
28 4IMO PWZ 0.02836 0.40359 4.51128
29 5ML3 DL3 0.005312 0.41867 5.26316
30 3Q8U ADP 0.026 0.40538 5.26316
31 4ZU4 4TG 0.008415 0.402 5.26316
32 1ZDT PEF 0.005943 0.40525 6.01504
33 1SQI 869 0.003565 0.42598 6.76692
34 3B00 16A 0.007751 0.42254 6.76692
35 1JGU HBC 0.03064 0.40085 6.76692
36 5UC9 MYR 0.026 0.40047 6.76692
37 3FAL LO2 0.006389 0.40931 7.5188
38 5T7I LAT NAG GAL 0.03127 0.40198 8.27068
39 1A78 TDG 0.004821 0.43934 9.02256
40 2JBM SRT 0.01447 0.41244 9.02256
41 2D6M LBT 0.01031 0.40684 9.02256
42 1L7P SEP 0.01063 0.42014 9.77444
43 3RY9 1CA 0.004593 0.41714 9.77444
44 4GJY OGA 0.02593 0.4083 10.5263
45 5HCN DAO 0.02368 0.40669 10.5263
46 3WV6 GAL BGC 0.01636 0.40829 11.2782
47 1SR7 MOF 0.004529 0.41571 12.782
48 3KP6 SAL 0.0008679 0.48846 13.5338
49 4E2J MOF 0.001303 0.42974 13.5338
50 2BCG GER 0.02084 0.40534 15.7895
51 3PGU OLA 0.01823 0.40425 21.0526
52 3STK PLM 0.00001622 0.43906 30.303
53 1LFO OLA 0.006811 0.40603 31.25
54 1MDC PLM 0.000005041 0.5253 39.3939
Pocket No.: 2; Query (leader) PDB : 4BVM; Ligand: PLM; Similar sites found: 42
This union binding pocket(no: 2) in the query (biounit: 4bvm.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3UUA 0CZ 0.002305 0.43713 None
2 4MG9 27K 0.01235 0.41973 None
3 5H9Q TD2 0.007567 0.41559 None
4 4XBT 3ZQ 0.01054 0.41025 None
5 4MGB XDH 0.006368 0.40908 None
6 5L7G 6QE 0.004369 0.40769 None
7 4P6X HCY 0.00335 0.40714 None
8 4MG7 27H 0.007417 0.40613 None
9 4GGZ BTN 0.01658 0.40084 None
10 2Q1H AS4 0.008277 0.40063 None
11 4A7W GTP 0.01661 0.42329 2.25564
12 4OIT MAN 0.00731 0.42847 2.65487
13 4OIT BMA 0.0115 0.41078 2.65487
14 1NKI PPF 0.01898 0.41009 3.00752
15 4ZOM 4Q3 0.006203 0.40893 3.00752
16 5DG2 GAL GLC 0.009515 0.40094 3.00752
17 1P0Z FLC 0.02874 0.40268 3.05344
18 2YMZ LAT 0.008829 0.40724 3.84615
19 1N5S ADL 0.007818 0.40868 4.46429
20 2R5V HHH 0.009248 0.41296 4.51128
21 4EE7 PIS 0.003904 0.44609 5.26316
22 5ML3 DL3 0.008222 0.41332 5.26316
23 4ZU4 4TG 0.007698 0.402 5.26316
24 3Q8U ADP 0.0287 0.40167 5.26316
25 1ZDT PEF 0.004979 0.41161 6.01504
26 1SQI 869 0.003563 0.42421 6.76692
27 2GVV DI9 0.0119 0.42057 6.76692
28 2YFB SIN 0.007471 0.41864 6.76692
29 5UC9 MYR 0.02421 0.40047 6.76692
30 1A78 TDG 0.004497 0.43934 9.02256
31 2JBM SRT 0.01359 0.41244 9.02256
32 2D6M LBT 0.009675 0.40684 9.02256
33 1L7P SEP 0.009846 0.42014 9.77444
34 5HCN DAO 0.02208 0.40669 10.5263
35 3WV6 GAL BGC 0.01538 0.40829 11.2782
36 1SR7 MOF 0.003618 0.42314 12.782
37 3KP6 SAL 0.0008037 0.48846 13.5338
38 4E2J MOF 0.00122 0.42905 13.5338
39 4JH6 FCN 0.01771 0.40732 21.8045
40 3STK PLM 0.00003777 0.42487 30.303
41 1LFO OLA 0.006638 0.4048 31.25
42 1MDC PLM 0.000003832 0.53588 39.3939
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