Receptor
PDB id Resolution Class Description Source Keywords
5LFV 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF GLYCOSYLATED MYELIN-ASSOCIATED GLYCOPRO IG1-3 WITH SOAKED TRISACCHARIDE LIGAND MUS MUSCULUS MYELIN CELL ADHESION SIGNALING
Ref.: STRUCTURAL BASIS OF MYELIN-ASSOCIATED GLYCOPROTEIN AND SIGNALLING. NAT COMMUN V. 7 13584 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SIA GAL NAG B:412;
Valid;
Atoms found LESS than expected: % Diff = 0.283;
submit data
673.598 n/a O=C([...
SO4 B:408;
B:410;
A:413;
A:411;
B:409;
A:412;
A:410;
B:411;
A:414;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
NAG B:407;
B:406;
A:407;
A:408;
A:406;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG BMA MAN B:402;
A:402;
Invalid;
Invalid;
none;
none;
submit data
732.686 n/a O=C(N...
GOL A:409;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MAN A:401;
B:401;
Invalid;
Invalid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5LFV 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF GLYCOSYLATED MYELIN-ASSOCIATED GLYCOPRO IG1-3 WITH SOAKED TRISACCHARIDE LIGAND MUS MUSCULUS MYELIN CELL ADHESION SIGNALING
Ref.: STRUCTURAL BASIS OF MYELIN-ASSOCIATED GLYCOPROTEIN AND SIGNALLING. NAT COMMUN V. 7 13584 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5LFV - SIA GAL NAG n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5LFV - SIA GAL NAG n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5LFV - SIA GAL NAG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA GAL NAG; Similar ligands found: 118
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA GAL NAG 1 1
2 NAG SIA GAL 1 1
3 NAG GAL NGC 0.905263 0.962264
4 SIA GAL BGC 0.831579 0.961538
5 SIA BGC GAL 0.831579 0.961538
6 GAL BGC SIA 0.831579 0.961538
7 GLA GLC SIA 0.831579 0.961538
8 BGC GAL SIA 0.831579 0.961538
9 BGC SIA GAL 0.831579 0.961538
10 SIA GAL GLC 0.831579 0.961538
11 4U2 0.829787 0.980769
12 SIA GAL NGS 0.821782 0.8125
13 SIA GAL A2G 0.783505 1
14 NGA GAL SIA 0.783505 1
15 GAL NGA GAL SIA 0.75 1
16 SIA GAL NGA GAL 0.75 1
17 SIA SIA GLA BGC 0.724771 0.981132
18 BGC SIA SIA GAL 0.724771 0.981132
19 SIA GAL NAG FUC 0.722222 1
20 NAG FUC SIA GAL 0.722222 1
21 NDG FUC SIA GAL 0.722222 1
22 SIA GAL NDG FUC 0.722222 1
23 SIA GLA NAG FUC 0.722222 1
24 FUC NDG GAL SIA 0.722222 1
25 GAL SIA NGA GAL SIA 0.716981 1
26 SIA GAL NAG SIA 0.71028 0.981132
27 MN0 GAL GLC 0.708738 0.924528
28 BGC GAL SIA SIA GAL NGA 0.705357 1
29 GAL BGC GAL SIA NGA SIA 0.705357 1
30 SIA GAL 0.698925 0.961538
31 NAG GAL SIA 0.692308 0.981132
32 SLT 0.686275 0.942308
33 SIA GAL NDG SIA 0.678899 0.945455
34 SIA SIA GAL NGA GAL 0.661017 0.981132
35 SIA GAL MAG FUC 0.660714 0.962264
36 SIA 2FG 0.642857 0.892857
37 GAL NGA SIA GAL BGC 0.641026 1
38 GAL NGA GAL BGC SIA 0.641026 1
39 BGC GAL SIA NGA GAL 0.641026 1
40 SIA GAL BGC NGA GAL 0.641026 1
41 SIA SIA GAL NGA GAL SIA 0.638655 0.981132
42 SIA GLA NGS FUC 0.633333 0.8125
43 4U1 0.62963 0.962264
44 SIA GAL BGC NGA 0.626087 1
45 BGC GAL SIA NGA 0.626087 1
46 GAL BGC SIA NGA 0.626087 1
47 GAL SIA NGA GAL 0.625 1
48 SIA 2FG NAG 0.623853 0.928571
49 BGC GAL SIA NGA GAL SIA 0.617188 0.852459
50 NGC MBG 0.613861 0.907407
51 NGC GAL NGA POL AZI 0.613445 0.784615
52 SIA SIA GAL 0.607477 0.981132
53 SIA GAL NGA 0.605505 1
54 5N6 GAL 0.601942 0.962264
55 SIA GAL BGC 16C 0.586466 0.83871
56 BGC GAL NAG SIA GAL 0.577236 0.981132
57 SIA GAL NAG GAL GLC 0.577236 0.981132
58 SIA GAL NAG GAL BGC 0.577236 0.981132
59 Z3Q GAL 5N6 0.570248 0.83871
60 BGC 18C GAL SIA 0.566176 0.83871
61 SIA GAL SIA BGC NGA 0.55814 0.981132
62 SIA GAL SIA GLC NGA 0.55814 0.981132
63 GAL NAG SIA GAL 0.55 0.981132
64 SIA GAL NAG GAL 0.55 0.981132
65 BGC GAL CEQ SLB NGA GAL SIA SIA 0.546763 0.866667
66 SIA NAG GAL 0.53913 0.945455
67 4U0 0.521739 0.924528
68 SIA NAG GAL GAL 0.516667 0.981132
69 SIA CMO 0.505376 0.87037
70 GAL TNR SIA 0.504132 0.962963
71 GAL SIA 0.495238 0.943396
72 MAN BMA NAG 0.489796 0.865385
73 NAG GAL GAL 0.489796 0.865385
74 GLA GAL NAG 0.489796 0.865385
75 SIA GAL SIA BGC NGA CEQ 0.486111 0.8
76 NDG GAL 0.473118 0.865385
77 GAL NDG 0.473118 0.865385
78 NLC 0.473118 0.865385
79 NAG GAL GAL NAG 0.466667 0.923077
80 GAL NAG GAL NAG GAL NAG 0.466667 0.942308
81 NAG GAL NAG 0.466019 0.923077
82 BGC 18C GAL NGA SIA GAL 0.464968 0.83871
83 MNA 0.447917 0.851852
84 SIA SIA 0.440367 0.962264
85 SLB SIA 0.440367 0.962264
86 SIA NAG 0.4375 0.910714
87 SIA SIA SIA SIA SIA SIA SIA 0.436364 0.962264
88 SLB SIA SIA SIA SIA 0.436364 0.962264
89 SIA SIA SIA SLB 0.436364 0.962264
90 SLB SIA SIA 0.436364 0.962264
91 NAG FUC 0.43299 0.846154
92 SIA SIA SIA 0.429825 0.962264
93 G6S NAG 0.419048 0.734375
94 UNU GAL NAG 0.418182 0.90566
95 NAG NDG 0.414141 0.923077
96 NAG GDL 0.414141 0.923077
97 CBS 0.414141 0.923077
98 CBS CBS 0.414141 0.923077
99 SIA WIA 0.412281 0.894737
100 NAG BMA MAN MAN MAN MAN 0.412281 0.865385
101 NAG NAG NAG NDG 0.411765 0.942308
102 NAG NAG NAG NAG 0.411765 0.942308
103 NDG NAG NAG 0.411765 0.942308
104 NAG NAG NAG NAG NAG NAG NAG NAG 0.411765 0.942308
105 NDG NAG NAG NDG 0.411765 0.942308
106 NDG NAG NAG NAG 0.411765 0.942308
107 NAG NAG NAG NAG NDG 0.411765 0.942308
108 NAG NAG NDG 0.411765 0.942308
109 NAG NAG NAG 0.411765 0.942308
110 NAG NAG NAG NAG NDG NAG 0.411765 0.942308
111 NAG NAG NAG NAG NAG 0.411765 0.942308
112 NAG NAG NAG NAG NAG NAG 0.411765 0.942308
113 NDG NAG NAG NDG NAG 0.411765 0.942308
114 CTO 0.411765 0.942308
115 TCG 0.407407 0.864407
116 CTO TMX 0.407407 0.864407
117 MAN MAN NAG MAN NAG 0.403361 0.923077
118 NAG NAG BMA MAN MAN 0.403361 0.923077
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5LFV; Ligand: SIA GAL NAG; Similar sites found: 91
This union binding pocket(no: 1) in the query (biounit: 5lfv.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Q0L NAP 0.01863 0.4047 1.28617
2 5AYF SAM 0.003033 0.47045 1.52091
3 5AYF C7H 0.003345 0.47045 1.52091
4 1X7D NAD 0.01366 0.42429 1.57729
5 1X7D ORN 0.01952 0.42315 1.57729
6 4O1M NAD 0.02653 0.40291 1.5873
7 5KJK SAM 0.0155 0.43485 1.89274
8 5KJK 6T1 0.0155 0.43485 1.89274
9 1J09 GLU 0.01694 0.40116 1.89274
10 3NK7 SAM 0.01685 0.40346 2.16606
11 4PIV NDP 0.007577 0.44407 2.2082
12 4GR5 APC 0.018 0.40778 2.2082
13 2Y4S BCD 0.01906 0.40382 2.2082
14 2G5C NAD 0.01584 0.4121 2.4911
15 3A7R LAQ 0.0166 0.43681 2.52366
16 1K0E TRP 0.01546 0.40942 2.52366
17 4JWH SAH 0.03515 0.40717 2.55591
18 4IAE 1DX 0.03746 0.40984 2.6455
19 1P7T ACO 0.01625 0.41153 2.83912
20 3QXY SAM 0.02442 0.40166 2.83912
21 3EM0 CHD 0.009018 0.45355 2.89855
22 4FJU GLV 0.01495 0.43648 3.15457
23 4FJU NAI 0.01427 0.43648 3.15457
24 4FWE FAD 0.01496 0.43422 3.15457
25 3MJE NDP 0.01335 0.43012 3.15457
26 3ABI NAD 0.02091 0.42472 3.15457
27 2BVN ENX 0.02206 0.40562 3.15457
28 4FC7 NAP 0.01792 0.42602 3.2491
29 4FC7 COA 0.01792 0.42602 3.2491
30 3AXX CBI 0.02682 0.4096 3.47003
31 3HNA SAH 0.02556 0.4003 3.48432
32 4NVQ 2OD 0.003767 0.46062 3.50877
33 2RFI SAH 0.02422 0.40519 3.50877
34 4NVQ SAH 0.03541 0.4017 3.50877
35 4JWF SAH 0.03502 0.40501 3.68664
36 2RKV COA 0.002512 0.47678 3.78549
37 2CWH NDP 0.006271 0.46007 3.78549
38 2CWH PYC 0.008302 0.45835 3.78549
39 1Z2I NAD 0.01212 0.4249 3.78549
40 1TQ4 GDP 0.01961 0.41887 3.78549
41 5MSD BEZ 0.01965 0.4152 3.78549
42 4OI4 ATP 0.04375 0.40352 3.78549
43 5TUZ SAM 0.003602 0.4685 3.83142
44 5TUZ 7L6 0.003602 0.4685 3.83142
45 4GUS FAD 0.0136 0.43771 4.03226
46 4GUT FAD 0.0166 0.43365 4.03226
47 4HSU FAD 0.01597 0.43344 4.03226
48 2BP1 NDP 0.04515 0.40493 4.16667
49 4Q9N NAI 0.02387 0.41122 4.36242
50 3LXK MI1 0.03814 0.40799 4.4164
51 5CPR SAM 0.03539 0.40734 4.47761
52 1QPG MAP 0.01726 0.41348 4.73186
53 2ZBA COA 0.01833 0.41129 4.73186
54 4L80 1VU 0.02039 0.40044 4.73186
55 2C91 NAP 0.04794 0.40101 4.73373
56 4RHS SIA SIA GAL 0.00421 0.41111 4.91803
57 1COY AND 0.03065 0.43211 5.36278
58 5CCM 4ZX 0.04032 0.40764 5.99369
59 1KRH FAD 0.02471 0.40683 5.99369
60 5CCM SAM 0.03717 0.40572 5.99369
61 1KNR FAD 0.03988 0.41908 6.30915
62 1A8P FAD 0.03416 0.40229 6.58915
63 2GMH FAD 0.02805 0.42462 6.62461
64 3QOX SAH 0.03795 0.4054 6.62461
65 4G17 0VN 0.01684 0.4004 6.62461
66 2RDG NDG FUC SIA GAL 0.006026 0.4115 6.63265
67 1V5Y 4HC 0.03305 0.4039 6.91244
68 1V5Y FMN 0.03483 0.4039 6.91244
69 4BUY F37 0.0359 0.40689 7.08333
70 4JAL SAH 0.00546 0.43322 7.18563
71 5LYH 7B8 0.04701 0.40902 7.25389
72 5FI4 5XV 0.003792 0.44389 7.25552
73 4XOQ F42 0.03747 0.4078 7.72947
74 1B8O IMH 0.02899 0.40538 7.74648
75 3DWQ NGC GAL NGA POL AZI 0.004592 0.41749 7.93651
76 3NZW BOC TY5 ALA RE0 ABN 0.02772 0.41416 8.07692
77 4EBZ NAG NAG NAG NAG 0.002788 0.45828 8.49057
78 4ZON 4Q1 0.01092 0.42472 8.65385
79 1KGI T4A 0.02356 0.41344 8.66142
80 3IWD M2T 0.01159 0.41049 8.82353
81 1MAI I3P 0.006748 0.40619 9.92366
82 4QLX FMN 0.001022 0.49796 10.5023
83 1W0H AMP 0.01655 0.40095 10.7843
84 5LLT DND 0.03616 0.41639 10.7981
85 1KQ4 FAD 0.04595 0.40657 11.2069
86 1PVC ILE SER GLU VAL 0.001167 0.4162 12.1849
87 5TH5 MET 0.009294 0.41314 13.308
88 5LXI GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.01386 0.42739 22.7642
89 4NFD SIA 0.00008319 0.47199 35
90 2HRL SIA GAL SIA BGC NGA CEQ 0.0009944 0.48018 39.3701
91 2BVE PH5 0.0002487 0.47537 47.8992
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