Receptor
PDB id Resolution Class Description Source Keywords
1HJW 2.3 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF HCGP-39 IN COMPLEX WITH CHITIN OCTAMER HOMO SAPIENS SUGAR BINDING PROTEIN LECTIN CHI-LECTIN CHITINASE CHONDR
Ref.: STRUCTURE AND LIGAND-INDUCED CONFORMATIONAL CHANGE 39-KDA GLYCOPROTEIN FROM HUMAN ARTICULAR CHONDROCYT J.BIOL.CHEM. V. 278 30206 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1386;
A:1387;
A:1388;
A:1389;
A:1399;
B:1384;
B:1385;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAG B:1383;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG NAG NAG NAG E:1;
Valid;
none;
submit data
1033.98 n/a O=C(N...
NAG NAG NAG NAG NAG NAG C:1;
Valid;
none;
submit data
1237.18 n/a O=C(N...
SO4 A:1392;
A:1394;
A:1396;
B:1386;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
NAG NAG D:1;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NWU 2.2 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF HUMAN CARTILAGE GP39 (HC-GP39) IN COMPL CHITOTETRAOSE HOMO SAPIENS CHITINASE-LIKE PROTEIN RHEUMATOID ARTHRITIS CHITIN N- ACETYLGLUCOSAMINE SIGNALING PROTEIN
Ref.: CRYSTAL STRUCTURE AND CARBOHYDRATE-BINDING PROPERTI HUMAN CARTILAGE GLYCOPROTEIN-39 J.BIOL.CHEM. V. 278 37753 2003
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 1NWT - NAG NAG NAG NAG NDG NAG n/a n/a
2 1NWU - NAG NAG NAG NDG n/a n/a
3 1HJW - NAG NAG NAG NAG NAG n/a n/a
70% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 1NWT - NAG NAG NAG NAG NDG NAG n/a n/a
2 1NWU - NAG NAG NAG NDG n/a n/a
3 1HJW - NAG NAG NAG NAG NAG n/a n/a
4 1ZBC - TRP PRO TRP n/a n/a
5 2DT0 - NAG NAG NAG n/a n/a
6 2DT1 - NAG NAG NAG NAG n/a n/a
7 1WAW ic50 = 0.013 uM 0AR DPR HSE HIS UN1 n/a n/a
8 1WB0 ic50 = 4.5 uM VR0 MEA IAS IAS DAL n/a n/a
9 4WKH - NAG NAG n/a n/a
10 1HKK ic50 = 40 nM NAA AMI NAA n/a n/a
11 4WK9 - NAG NAG n/a n/a
12 5NRF ic50 = 163 nM 95Q C22 H27 Cl N6 c1ccc(cc1)....
13 4WKF - NAG NAG n/a n/a
14 6JK6 Kd = 1.12 uM BV0 C24 H25 N6 O3 CC1=CC=CN2....
15 6ZE8 ic50 = 23 nM QGB C19 H27 Cl N6 O C[C@H]1CN(....
16 5NR8 ic50 = 175 nM 95N C16 H23 Br N6 CN(CCc1ccc....
17 5NRA ic50 = 123 nM 95K C19 H29 Br N6 CC(C)CN(CC....
18 6JJR Ki = 0.049 uM BU0 C27 H25 N5 O2 C[C@@H](c1....
19 2YBT ic50 = 20 uM DW0 C17 H20 N8 O4 Cn1cnc2c1C....
20 3RM4 Kd = 1.69 uM 3RM C14 H19 Br N6 O c1cc(ccc1O....
21 3RM9 Kd = 17 uM 613 C11 H15 Cl N4 [H]/N=C(N)....
22 2YBU Ki = 0.42 uM CX9 C16 H18 N8 O4 Cn1cnc2c1C....
23 3RME ic50 = 22 uM RME C17 H22 N6 O3 Cc1ccnc(c1....
24 3FY1 - NAA AMI NA1 n/a n/a
25 4P8V Kd = 204 uM NAG NAG n/a n/a
26 4AY1 - NAG NAG NAG NAG n/a n/a
27 4P8X Kd = 0.04 uM NAG NAG NAG NAG NAG NAG n/a n/a
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 5Y2B - NAG NAG NAG NAG NAG NAG NAG n/a n/a
2 6JAW Ki = 2.18 uM BBO C19 H20 N2 O3 c1cc2cccc3....
3 6JAX - GCS GCS GCS GCS GCS GCS GCS GCS n/a n/a
4 6JAV Ki = 1.72 uM BC0 C20 H19 Cl N4 S2 CN1Cc2c(c3....
5 6JAY Ki = 1.99 uM JUK C22 H22 N5 O4 c1cc(oc1)C....
6 1NWT - NAG NAG NAG NAG NDG NAG n/a n/a
7 1NWU - NAG NAG NAG NDG n/a n/a
8 1HJW - NAG NAG NAG NAG NAG n/a n/a
9 3WQV Kd = 6.2 uM GCS GCS GCS GCS GCS n/a n/a
10 3WQW - GCS GCS GCS GCS GCS n/a n/a
11 1WNO - NAG C8 H15 N O6 CC(=O)N[C@....
12 2A3C Kd = 43 uM PNX C13 H18 N4 O3 CC(=O)CCCC....
13 2A3A ic50 = 1500 uM TEP C7 H8 N4 O2 CN1c2c([nH....
14 1W9U Kd = 0.81 uM 0AR DPR HSE HIS UN1 n/a n/a
15 6KXN - NAG NAG n/a n/a
16 6KXL - NAG C8 H15 N O6 CC(=O)N[C@....
17 6KXM - NAG NAG n/a n/a
18 1ZB5 - TRP PRO TRP n/a n/a
19 2DSU - NDG NAG NAG n/a n/a
20 1ZBC - TRP PRO TRP n/a n/a
21 2DT0 - NAG NAG NAG n/a n/a
22 2DT1 - NAG NAG NAG NAG n/a n/a
23 2DT3 Kd = 18 uM NAG NAG NAG NAG NAG NAG n/a n/a
24 1WAW ic50 = 0.013 uM 0AR DPR HSE HIS UN1 n/a n/a
25 1WB0 ic50 = 4.5 uM VR0 MEA IAS IAS DAL n/a n/a
26 5Y2C - NAG NAG NAG NAG NAG n/a n/a
27 4WKH - NAG NAG n/a n/a
28 1HKK ic50 = 40 nM NAA AMI NAA n/a n/a
29 4WK9 - NAG NAG n/a n/a
30 5NRF ic50 = 163 nM 95Q C22 H27 Cl N6 c1ccc(cc1)....
31 4WKF - NAG NAG n/a n/a
32 6JK6 Kd = 1.12 uM BV0 C24 H25 N6 O3 CC1=CC=CN2....
33 6ZE8 ic50 = 23 nM QGB C19 H27 Cl N6 O C[C@H]1CN(....
34 5NR8 ic50 = 175 nM 95N C16 H23 Br N6 CN(CCc1ccc....
35 5NRA ic50 = 123 nM 95K C19 H29 Br N6 CC(C)CN(CC....
36 6JJR Ki = 0.049 uM BU0 C27 H25 N5 O2 C[C@@H](c1....
37 3RM8 ic50 = 0.7 uM RM8 C19 H22 N4 Cc1c(c2ccc....
38 2YBT ic50 = 20 uM DW0 C17 H20 N8 O4 Cn1cnc2c1C....
39 3RM4 Kd = 1.69 uM 3RM C14 H19 Br N6 O c1cc(ccc1O....
40 3RM9 Kd = 17 uM 613 C11 H15 Cl N4 [H]/N=C(N)....
41 2YBU Ki = 0.42 uM CX9 C16 H18 N8 O4 Cn1cnc2c1C....
42 3RME ic50 = 22 uM RME C17 H22 N6 O3 Cc1ccnc(c1....
43 3FY1 - NAA AMI NA1 n/a n/a
44 4P8V Kd = 204 uM NAG NAG n/a n/a
45 4AY1 - NAG NAG NAG NAG n/a n/a
46 4P8X Kd = 0.04 uM NAG NAG NAG NAG NAG NAG n/a n/a
47 4R5E Kd = 0.000000064 M AO3 C25 H42 N4 O14 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG NAG NAG NAG NAG; Similar ligands found: 151
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG NAG NAG NAG NAG NAG NAG NAG 1 1
2 NDG NAG NAG NAG NAG 1 1
3 NAG NAG NAG NAG NAG NAG 1 1
4 NAG NAG NAG NAG NAG 1 1
5 GDL NAG 0.929825 0.979592
6 NAG GAL NAG 0.753623 0.979592
7 NAG NAG NAG TMX 0.742857 0.844828
8 NAG NAG BMA MAN NAG 0.74026 1
9 NAG GAL NAG GAL 0.69863 0.979592
10 NAG GAL NAG GAL NAG GAL 0.69863 1
11 SN5 SN5 0.681818 0.811321
12 NAG NAG NAG 0.680556 0.924528
13 NAG NAG NAG NAG 0.680556 0.924528
14 NAG NAG NAG NAG NAG NAG NAG 0.680556 0.924528
15 NAG GAL 0.671875 0.918367
16 BGC GAL NGA 0.647887 0.918367
17 NDG NAG 0.647059 1
18 MBG A2G 0.632353 0.92
19 NAG NOJ NAG NAG 0.623377 0.875
20 NAG NOJ NAG 0.623377 0.857143
21 Z4S NAG NAG 0.623377 0.924528
22 NAG NAG BMA MAN MAN NAG GAL NAG 0.619565 1
23 A2G NAG 0.617647 0.979592
24 MAN NAG 0.61194 0.918367
25 NAG NAG MAN MAN MAN 0.611765 0.979592
26 NDG BMA MAN MAN NAG GAL NAG 0.608696 1
27 NAG NGT NAG 0.6 0.830508
28 BMA MAN NAG 0.6 0.918367
29 Z3Q NGA 0.597403 0.8
30 MAN NAG GAL 0.594595 0.918367
31 NAG GAL GAL 0.589041 0.918367
32 GAL NAG GAL 0.586667 0.918367
33 AMV NAG AMU NAG 0.578313 0.960784
34 NAG NAG 0.575342 0.96
35 BGC GAL NAG 0.571429 0.918367
36 NAG GAL FUC A2G 0.565789 0.938776
37 6Y2 0.560976 0.765625
38 NAA AMI NAA 0.55814 0.753846
39 AO3 0.55814 0.753846
40 NAG NAG BMA 0.556962 0.90566
41 AMU NAG 0.556962 0.98
42 BGC GAL GLA NGA 0.555556 0.918367
43 GAL NGA 0.555556 0.862745
44 NAG BMA MAN MAN NAG GAL NAG GAL 0.554348 1
45 GAL NAG GAL NAG GAL 0.55 0.979592
46 MBG NAG 0.549296 0.92
47 GAL NGA A2G 0.546667 0.979592
48 NAG G6S 0.545455 0.707692
49 NAG NGO 0.538462 0.854545
50 NDG BMA MAN MAN NAG MAN MAN 0.536082 0.979592
51 UMG 0.533333 0.875
52 BMA MAN MAN NAG GAL NAG 0.526882 0.979592
53 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.525253 0.979592
54 NGT NAG 0.525 0.813559
55 3QL 0.519481 0.90566
56 GAL FUC A2G 0.518987 0.938776
57 MAG 0.515625 0.86
58 2F8 0.515625 0.86
59 MAN MAN NAG 0.5125 0.882353
60 GUM 0.511111 0.875
61 NGA 0.508197 0.816327
62 A2G 0.508197 0.816327
63 NDG 0.508197 0.816327
64 BM3 0.508197 0.816327
65 NAG 0.508197 0.816327
66 HSQ 0.508197 0.816327
67 MMA MAN NAG 0.506329 0.92
68 NAG GAL BGC GAL 0.506173 0.918367
69 NAG GAL FUC GLA 0.505882 0.938776
70 KPM 0.505747 0.923077
71 NAG GCU NAG GCD 0.505155 0.907407
72 NAG NAG BMA MAN 0.5 0.90566
73 MAN MAN MAN NAG NAG 0.5 0.979592
74 NAG GCS GCS 0.5 0.884615
75 NAG GAL UNU 0.5 0.96
76 BGC GAL FUC A2G 0.494382 0.938776
77 NM9 NAG 0.493827 0.960784
78 BGC GAL NAG NAG GAL GAL 0.48913 0.979592
79 BMA Z4Y NAG 0.488372 0.9
80 NAG NAG BMA BMA 0.488372 0.907407
81 GN1 0.485294 0.758621
82 NG1 0.485294 0.758621
83 NAG FUC GAL FUC A2G 0.483516 1
84 NAG GAL FUC FUC A2G 0.483516 1
85 AH0 NAG 0.481928 0.907407
86 NAG NAG BMA MAN MAN NAG NAG 0.480392 0.924528
87 ASG 0.478261 0.646154
88 BGC GAL NGA GAL 0.47561 0.918367
89 BGC FUC GAL NAG GAL 0.473118 0.938776
90 NAG BMA MAN MAN MAN MAN 0.472527 0.918367
91 BGC FUC GAL NAG 0.47191 0.938776
92 BDP NPO NDG BDP NDG 0.47 0.765625
93 NAA AMI NA1 0.46875 0.742424
94 NAG BDP NAG BDP NAG BDP NAG 0.466667 0.98
95 BGC FUC GAL FUC A2G 0.466667 0.959184
96 NAG GAL GLC NAG GLC RAM 0.465909 0.979592
97 TVD GAL 0.465753 0.96
98 JXD 0.464646 0.720588
99 GAL NAG 0.460526 0.918367
100 BMX BMX BMX BM3 0.457831 0.859649
101 C4W NAG FUC BMA 0.457447 0.942308
102 MMA MAN NAG MAN NAG NAG 0.455556 0.98
103 MUB ALA NAG DGN 0.455446 0.890909
104 SN5 NGT SN5 0.454545 0.733333
105 GYU 0.453333 0.807018
106 C4W NAG FUC BMA MAN NAG 0.45283 0.942308
107 3YW 0.452055 0.84
108 NAG GAL BEK 0.451613 0.859649
109 AMU ALA NAG DGL 0.45 0.907407
110 A2G GAL NAG 0.447059 0.979592
111 A2G GAL 0.445946 0.918367
112 MUB ALA NAG ZGL 0.445545 0.890909
113 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.443299 0.918367
114 NAG GAL NAG GAL SIA 0.442478 0.924528
115 MUB ALA NAG GLN 0.441176 0.907407
116 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.438776 0.918367
117 LEC NGA 0.438202 0.765625
118 NAG AH0 0.438202 0.907407
119 MA8 0.435897 0.814815
120 TNR 0.434211 0.865385
121 SER A2G 0.434211 0.849057
122 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.432432 0.907407
123 NAG ASN NAG BMA MAN MAN NAG NAG 0.432432 0.890909
124 GLC GAL NAG GAL FUC A2G 0.431373 1
125 BGC GAL NAG GAL 0.430233 0.918367
126 BGC GAL GLA NGA GAL 0.426966 0.918367
127 C4W NAG FUC BMA MAN MAN NAG NAG 0.424779 0.942308
128 FHY 0.423913 0.924528
129 NAG FUC GAL 0.421687 0.938776
130 GAL SIA NGA 0.421569 0.942308
131 GYP GZL NAG 0.419355 0.867925
132 HSH A2G FUC 0.419355 0.824561
133 NDG FUC GAL FUC 0.418605 0.959184
134 NAG GAL FUC FUC 0.418605 0.959184
135 C4W NAG FUC BMA MAN 0.417476 0.942308
136 C4W NAG FUC BMA MAN MAN NAG 0.417391 0.942308
137 YZ0 MAN MAN NAG MAN 0.416667 0.92
138 GDL PHJ NAG 0.414141 0.803279
139 NDG GLA NAG GLC RAM 0.413462 1
140 NDG NAG GLA NAG GLC RAM 0.413462 1
141 C4W NAG FUC BMA MAN NAG GAL 0.412844 0.844828
142 NAG GAL SIA 0.411765 0.942308
143 GYT 0.409639 0.830508
144 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.40678 0.844828
145 SNG 0.405797 0.788462
146 NAG NAG BMA MAN MAN MAN MAN 0.40367 0.90566
147 LEC 0.402439 0.71875
148 6ZC 0.402439 0.71875
149 SN5 NGT 0.402299 0.733333
150 NDG GLA GLC NAG GLC RAM 0.401869 1
151 BGC GAL SIA NAG 0.401786 0.942308
Ligand no: 2; Ligand: NAG NAG NAG NAG NAG NAG; Similar ligands found: 151
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG NAG NAG NAG NAG NAG NAG NAG 1 1
2 NDG NAG NAG NAG NAG 1 1
3 NAG NAG NAG NAG NAG NAG 1 1
4 NAG NAG NAG NAG NAG 1 1
5 GDL NAG 0.929825 0.979592
6 NAG GAL NAG 0.753623 0.979592
7 NAG NAG NAG TMX 0.742857 0.844828
8 NAG NAG BMA MAN NAG 0.74026 1
9 NAG GAL NAG GAL 0.69863 0.979592
10 NAG GAL NAG GAL NAG GAL 0.69863 1
11 SN5 SN5 0.681818 0.811321
12 NAG NAG NAG 0.680556 0.924528
13 NAG NAG NAG NAG 0.680556 0.924528
14 NAG NAG NAG NAG NAG NAG NAG 0.680556 0.924528
15 NAG GAL 0.671875 0.918367
16 BGC GAL NGA 0.647887 0.918367
17 NDG NAG 0.647059 1
18 MBG A2G 0.632353 0.92
19 NAG NOJ NAG NAG 0.623377 0.875
20 NAG NOJ NAG 0.623377 0.857143
21 Z4S NAG NAG 0.623377 0.924528
22 NAG NAG BMA MAN MAN NAG GAL NAG 0.619565 1
23 A2G NAG 0.617647 0.979592
24 MAN NAG 0.61194 0.918367
25 NAG NAG MAN MAN MAN 0.611765 0.979592
26 NDG BMA MAN MAN NAG GAL NAG 0.608696 1
27 NAG NGT NAG 0.6 0.830508
28 BMA MAN NAG 0.6 0.918367
29 Z3Q NGA 0.597403 0.8
30 MAN NAG GAL 0.594595 0.918367
31 NAG GAL GAL 0.589041 0.918367
32 GAL NAG GAL 0.586667 0.918367
33 AMV NAG AMU NAG 0.578313 0.960784
34 NAG NAG 0.575342 0.96
35 BGC GAL NAG 0.571429 0.918367
36 NAG GAL FUC A2G 0.565789 0.938776
37 6Y2 0.560976 0.765625
38 NAA AMI NAA 0.55814 0.753846
39 AO3 0.55814 0.753846
40 NAG NAG BMA 0.556962 0.90566
41 AMU NAG 0.556962 0.98
42 BGC GAL GLA NGA 0.555556 0.918367
43 GAL NGA 0.555556 0.862745
44 NAG BMA MAN MAN NAG GAL NAG GAL 0.554348 1
45 GAL NAG GAL NAG GAL 0.55 0.979592
46 MBG NAG 0.549296 0.92
47 GAL NGA A2G 0.546667 0.979592
48 NAG G6S 0.545455 0.707692
49 NAG NGO 0.538462 0.854545
50 NDG BMA MAN MAN NAG MAN MAN 0.536082 0.979592
51 UMG 0.533333 0.875
52 BMA MAN MAN NAG GAL NAG 0.526882 0.979592
53 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.525253 0.979592
54 NGT NAG 0.525 0.813559
55 3QL 0.519481 0.90566
56 GAL FUC A2G 0.518987 0.938776
57 MAG 0.515625 0.86
58 2F8 0.515625 0.86
59 MAN MAN NAG 0.5125 0.882353
60 GUM 0.511111 0.875
61 NGA 0.508197 0.816327
62 A2G 0.508197 0.816327
63 NDG 0.508197 0.816327
64 BM3 0.508197 0.816327
65 NAG 0.508197 0.816327
66 HSQ 0.508197 0.816327
67 MMA MAN NAG 0.506329 0.92
68 NAG GAL BGC GAL 0.506173 0.918367
69 NAG GAL FUC GLA 0.505882 0.938776
70 KPM 0.505747 0.923077
71 NAG GCU NAG GCD 0.505155 0.907407
72 NAG NAG BMA MAN 0.5 0.90566
73 MAN MAN MAN NAG NAG 0.5 0.979592
74 NAG GCS GCS 0.5 0.884615
75 NAG GAL UNU 0.5 0.96
76 BGC GAL FUC A2G 0.494382 0.938776
77 NM9 NAG 0.493827 0.960784
78 BGC GAL NAG NAG GAL GAL 0.48913 0.979592
79 BMA Z4Y NAG 0.488372 0.9
80 NAG NAG BMA BMA 0.488372 0.907407
81 GN1 0.485294 0.758621
82 NG1 0.485294 0.758621
83 NAG FUC GAL FUC A2G 0.483516 1
84 NAG GAL FUC FUC A2G 0.483516 1
85 AH0 NAG 0.481928 0.907407
86 NAG NAG BMA MAN MAN NAG NAG 0.480392 0.924528
87 ASG 0.478261 0.646154
88 BGC GAL NGA GAL 0.47561 0.918367
89 BGC FUC GAL NAG GAL 0.473118 0.938776
90 NAG BMA MAN MAN MAN MAN 0.472527 0.918367
91 BGC FUC GAL NAG 0.47191 0.938776
92 BDP NPO NDG BDP NDG 0.47 0.765625
93 NAA AMI NA1 0.46875 0.742424
94 NAG BDP NAG BDP NAG BDP NAG 0.466667 0.98
95 BGC FUC GAL FUC A2G 0.466667 0.959184
96 NAG GAL GLC NAG GLC RAM 0.465909 0.979592
97 TVD GAL 0.465753 0.96
98 JXD 0.464646 0.720588
99 GAL NAG 0.460526 0.918367
100 BMX BMX BMX BM3 0.457831 0.859649
101 C4W NAG FUC BMA 0.457447 0.942308
102 MMA MAN NAG MAN NAG NAG 0.455556 0.98
103 MUB ALA NAG DGN 0.455446 0.890909
104 SN5 NGT SN5 0.454545 0.733333
105 GYU 0.453333 0.807018
106 C4W NAG FUC BMA MAN NAG 0.45283 0.942308
107 3YW 0.452055 0.84
108 NAG GAL BEK 0.451613 0.859649
109 AMU ALA NAG DGL 0.45 0.907407
110 A2G GAL NAG 0.447059 0.979592
111 A2G GAL 0.445946 0.918367
112 MUB ALA NAG ZGL 0.445545 0.890909
113 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.443299 0.918367
114 NAG GAL NAG GAL SIA 0.442478 0.924528
115 MUB ALA NAG GLN 0.441176 0.907407
116 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.438776 0.918367
117 LEC NGA 0.438202 0.765625
118 NAG AH0 0.438202 0.907407
119 MA8 0.435897 0.814815
120 TNR 0.434211 0.865385
121 SER A2G 0.434211 0.849057
122 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.432432 0.907407
123 NAG ASN NAG BMA MAN MAN NAG NAG 0.432432 0.890909
124 GLC GAL NAG GAL FUC A2G 0.431373 1
125 BGC GAL NAG GAL 0.430233 0.918367
126 BGC GAL GLA NGA GAL 0.426966 0.918367
127 C4W NAG FUC BMA MAN MAN NAG NAG 0.424779 0.942308
128 FHY 0.423913 0.924528
129 NAG FUC GAL 0.421687 0.938776
130 GAL SIA NGA 0.421569 0.942308
131 GYP GZL NAG 0.419355 0.867925
132 HSH A2G FUC 0.419355 0.824561
133 NDG FUC GAL FUC 0.418605 0.959184
134 NAG GAL FUC FUC 0.418605 0.959184
135 C4W NAG FUC BMA MAN 0.417476 0.942308
136 C4W NAG FUC BMA MAN MAN NAG 0.417391 0.942308
137 YZ0 MAN MAN NAG MAN 0.416667 0.92
138 GDL PHJ NAG 0.414141 0.803279
139 NDG GLA NAG GLC RAM 0.413462 1
140 NDG NAG GLA NAG GLC RAM 0.413462 1
141 C4W NAG FUC BMA MAN NAG GAL 0.412844 0.844828
142 NAG GAL SIA 0.411765 0.942308
143 GYT 0.409639 0.830508
144 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.40678 0.844828
145 SNG 0.405797 0.788462
146 NAG NAG BMA MAN MAN MAN MAN 0.40367 0.90566
147 LEC 0.402439 0.71875
148 6ZC 0.402439 0.71875
149 SN5 NGT 0.402299 0.733333
150 NDG GLA GLC NAG GLC RAM 0.401869 1
151 BGC GAL SIA NAG 0.401786 0.942308
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG NAG NAG NAG NAG; Similar ligands found: 1
No: Ligand Similarity coefficient
1 NDG NAG NAG NDG NAG 0.9208
Ligand no: 2; Ligand: NAG NAG NAG NAG NAG NAG; Similar ligands found: 2
No: Ligand Similarity coefficient
1 NDG NAG NAG NAG NAG NAG 0.9908
2 NAG NAG NAG NAG NDG NAG 0.8810
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NWU; Ligand: NAG NAG NAG NDG; Similar sites found with APoc: 6
This union binding pocket(no: 1) in the query (biounit: 1nwu.bio4) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2WK2 SN5 SN5 40.884
2 2WK2 SN5 NGT SN5 40.884
3 3B9A NAG NAG NAG NAG NAG NAG 41.1602
4 3G6M CFF 45.3039
5 3WD1 ST7 47.7901
6 3WD1 ST7 47.7901
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