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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;
submit data
657.599 n/a O=C(N...
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 1443 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 1205 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 1039 families.
1 5LFV - SIA GAL NAG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA GAL NAG; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA GAL NAG 1 1
2 GAL BGC SIA 0.752475 0.909091
3 NAG SIA GAL 0.752475 0.945455
4 GLA GLC SIA 0.752475 0.909091
5 BGC SIA GAL 0.752475 0.909091
6 SIA GAL BGC 0.752475 0.909091
7 SIA GAL GLC 0.752475 0.909091
8 BGC GAL SIA 0.752475 0.909091
9 SIA GAL NDG SIA 0.738318 1
10 SIA GAL A2G 0.72549 0.945455
11 NGA GAL SIA 0.72549 0.945455
12 SIA GAL NAG GAL 0.71028 0.963636
13 NAG GAL NGC 0.688073 0.945455
14 SIA GAL NGS 0.684685 0.753623
15 GAL SIA NGA GAL SIA 0.666667 0.945455
16 SIA SIA GLA BGC 0.66087 0.928571
17 BGC SIA SIA GAL 0.66087 0.928571
18 SIA GAL NAG SIA 0.660714 0.963636
19 GAL SIA 0.659794 0.909091
20 BGC GAL SIA SIA GAL NGA 0.65812 0.945455
21 BGC GAL SIA NGA GAL SIA 0.65812 0.945455
22 NDG FUC SIA GAL 0.643478 0.945455
23 SIA GAL NDG FUC 0.643478 0.945455
24 NAG FUC SIA GAL 0.643478 0.945455
25 SIA GLA NAG FUC 0.643478 0.945455
26 SIA GAL NAG FUC 0.643478 0.945455
27 FUC NDG GAL SIA 0.643478 0.945455
28 MN0 GAL GLC 0.642202 0.909091
29 SIA GAL 0.63 0.909091
30 SIA GAL MAG FUC 0.62931 0.910714
31 GAL NGA GAL SIA 0.622807 0.963636
32 4U2 0.62037 0.927273
33 SLT 0.62037 0.890909
34 SIA 2FG 0.607843 0.847458
35 SIA SIA GAL NGA GAL 0.604839 0.928571
36 BGC GAL SIA NGA GAL 0.598361 0.945455
37 GAL NGA SIA GAL BGC 0.598361 0.945455
38 GAL NGA GAL BGC SIA 0.598361 0.945455
39 SIA GAL BGC NGA GAL 0.598361 0.945455
40 SIA SIA GAL NGA GAL SIA 0.596774 0.928571
41 NGC MBG 0.596154 0.892857
42 SIA NAG GAL 0.59292 1
43 SIA GLA NGS FUC 0.592 0.753623
44 NGC GAL NGA POL AZI 0.585366 0.776119
45 BGC GAL SIA NGA 0.583333 0.945455
46 SIA GAL BGC NGA 0.583333 0.945455
47 GAL BGC SIA NGA 0.583333 0.945455
48 SIA GAL NGA GAL 0.581197 0.945455
49 GAL SIA NGA GAL 0.581197 0.945455
50 SIA 2FG NAG 0.578947 0.881356
51 SIA SIA GAL 0.576577 0.928571
52 SIA GAL NGA 0.561404 0.945455
53 SIA GAL BGC 16C 0.539568 0.887097
54 BGC GAL CEQ SLB NGA GAL SIA SIA 0.535211 0.8
55 BGC 18C GAL SIA 0.531915 0.887097
56 SIA GAL SIA BGC NGA 0.522388 0.928571
57 SIA GAL SIA GLC NGA 0.522388 0.928571
58 NAG GAL SIA 0.516949 0.963636
59 SIA GAL NAG GAL GLC 0.503817 0.963636
60 SIA GAL NAG GAL BGC 0.503817 0.963636
61 BGC GAL NAG SIA GAL 0.503817 0.963636
62 SIA NAG GAL GAL 0.491935 0.963636
63 NAG NAG BMA BMA 0.490741 0.946429
64 NAG BMA 0.489583 0.872727
65 GAL NAG SIA GAL 0.488189 0.963636
66 GAL TNR SIA 0.488 0.964286
67 SIA GAL SIA BGC NGA CEQ 0.486301 0.846154
68 NAG NAG BMA MAN 0.473214 0.945455
69 4U0 0.471074 0.909091
70 4U1 0.467213 0.945455
71 NAG NDG BMA 0.457944 0.945455
72 NAG NAG BMA 0.457944 0.945455
73 SIA NAG 0.451327 0.964286
74 BGC 18C GAL NGA SIA GAL 0.447205 0.887097
75 NAG NAG 0.441176 0.927273
76 NAG NDG 0.441176 0.927273
77 MNA 0.434343 0.807018
78 SLB SIA 0.428571 0.910714
79 SIA SIA 0.428571 0.910714
80 NAG NAG NAG 0.425926 0.963636
81 NAG NAG NAG NAG 0.425926 0.963636
82 SLB SIA SIA 0.424779 0.910714
83 SIA SIA SIA SIA SIA SIA SIA 0.424779 0.910714
84 SIA SIA SIA 0.418803 0.910714
85 SIA WIA 0.401709 0.881356
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 with APoc: 126
This union binding pocket(no: 1) in the query (biounit: 5lfv.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 SRO None
2 2Q0L NAP 1.28617
3 1VBI NAD 1.57729
4 1X7D NAD 1.57729
5 1X7D ORN 1.57729
6 1FUR MLT 1.57729
7 4O1M NAD 1.5873
8 5KJK 6T1 1.89274
9 5KJK SAM 1.89274
10 1J09 GLU 1.89274
11 3NK7 SAM 2.16606
12 4PIV NDP 2.2082
13 5N81 8Q2 2.2082
14 4GR5 APC 2.2082
15 2Y4S BCD 2.2082
16 6GWR FEW 2.22222
17 6BSX GDP 2.24719
18 4D42 W0I 2.48227
19 4D42 NAP 2.48227
20 2G5C NAD 2.4911
21 3A7R LAQ 2.52366
22 3PE2 E1B 2.52366
23 1K0E TRP 2.52366
24 4JWH SAH 2.55591
25 4IAE 1DX 2.6455
26 3DLG GWE 2.83912
27 6C6O ENG 2.83912
28 1P7T ACO 2.83912
29 3QXY SAM 2.83912
30 3EM0 CHD 2.89855
31 2II3 CAO 3.05344
32 5XWV NDP 3.15457
33 5XWV 8H6 3.15457
34 4FJU GLV 3.15457
35 4FJU NAI 3.15457
36 4FWE FAD 3.15457
37 3ABI NAD 3.15457
38 2BVN ENX 3.15457
39 4FC7 NAP 3.2491
40 4FC7 COA 3.2491
41 3AXX CBI 3.47003
42 5OGX FAD 3.47003
43 3HNA SAH 3.48432
44 4NVQ 2OD 3.50877
45 2RFI SAH 3.50877
46 4NVQ SAH 3.50877
47 4JWF SAH 3.68664
48 2RKV COA 3.78549
49 2CWH NDP 3.78549
50 2CWH PYC 3.78549
51 1Z2I NAD 3.78549
52 1U1I NAD 3.78549
53 1TQ4 GDP 3.78549
54 5MSD BEZ 3.78549
55 4OI4 ATP 3.78549
56 5TUZ 7L6 3.83142
57 5TUZ SAM 3.83142
58 4GUS FAD 4.03226
59 4GUT FAD 4.03226
60 4HSU FAD 4.03226
61 2D3Y DU 4.10959
62 2BP1 NDP 4.16667
63 6BOX SAH 4.29043
64 5WHT SIA 4.34783
65 5WHT SIA GAL 4.34783
66 5WHT SIA GAL GLC 4.34783
67 4Q9N NAI 4.36242
68 3LXK MI1 4.4164
69 1EP2 FAD 4.5977
70 5KF9 COA 4.73186
71 5KF9 NAG 4.73186
72 1QPG MAP 4.73186
73 2ZBA COA 4.73186
74 4L80 1VU 4.73186
75 2C91 NAP 4.73373
76 4RHS SIA SIA GAL 4.91803
77 5YLT SFG 4.94297
78 5YLT C7N 4.94297
79 5ORG 6DB 4.94297
80 1COY AND 5.36278
81 1T7Q 152 5.67823
82 1T7Q COA 5.67823
83 5F1R 42O 5.67823
84 5CCM 4ZX 5.99369
85 1KRH FAD 5.99369
86 5CCM SAM 5.99369
87 5ZI9 FLC 6.15385
88 2NYA MGD 6.30915
89 1KNR FAD 6.30915
90 1A8P FAD 6.58915
91 2GMH FAD 6.62461
92 3QOX SAH 6.62461
93 4G17 0VN 6.62461
94 2RDG NDG FUC SIA GAL 6.63265
95 1V5Y 4HC 6.91244
96 1V5Y FMN 6.91244
97 6E48 4OA 7.07965
98 4BUY F37 7.08333
99 4JAL SAH 7.18563
100 5LYH 7B8 7.25389
101 6C1S EFV 7.25552
102 5FI4 5XV 7.25552
103 4XOQ F42 7.72947
104 1B8O IMH 7.74648
105 3DWQ NGC GAL NGA POL AZI 7.93651
106 6H39 FGY 8.07692
107 3NZW BOC TY5 ALA RE0 ABN 8.07692
108 4EBZ NAG NAG NAG NAG 8.49057
109 4ZON 4Q1 8.65385
110 1KGI T4A 8.66142
111 3IWD M2T 8.82353
112 1MAI I3P 9.92366
113 4QLX FMN 10.5023
114 1W0H AMP 10.7843
115 5LLT DND 10.7981
116 1KQ4 FAD 11.2069
117 4G4S LDZ 11.9565
118 1PVC ILE SER GLU VAL 12.1849
119 2HMT NAI 13.1944
120 5TH5 MET 13.308
121 1NNU TCT 13.3333
122 1H5R G1P 13.6519
123 5LXI GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 22.7642
124 2HRL SIA GAL SIA BGC NGA CEQ 39.3701
125 5VKM GAL SIA 41.6404
126 2BVE PH5 47.8992
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