Receptor
PDB id Resolution Class Description Source Keywords
2WBV 1.9 Å NON-ENZYME: OTHER CANINE ADENOVIRUS 2 FIBRE HEAD IN COMPLEX WITH SIALIC ACID CANINE ADENOVIRUS 2 KNOB HEAD FIBER VIRUS FIBRE ADENOVIRUS HEMAGGLUTINATION STRUCTURAL PROTEIN RED BLOOD CELL SIALYL-LACTOSE CELL ATTACHMENT ERYTHROCYTE SIALIC ACID FIBER PROTEIN
Ref.: THE CELL ADHESION MOLECULE "CAR" AND SIALIC ACID ON HUMAN ERYTHROCYTES INFLUENCE ADENOVIRUS IN VIVO BIODISTRIBUTION. PLOS PATHOG. V. 5 00277 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1543;
A:1544;
C:1544;
D:1543;
E:1543;
F:1543;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SIA A:1545;
B:1543;
C:1543;
E:1544;
F:1544;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
309.27 C11 H19 N O9 CC(=O...
SIA GAL D:1544;
Valid;
none;
submit data
470.404 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WBV 1.9 Å NON-ENZYME: OTHER CANINE ADENOVIRUS 2 FIBRE HEAD IN COMPLEX WITH SIALIC ACID CANINE ADENOVIRUS 2 KNOB HEAD FIBER VIRUS FIBRE ADENOVIRUS HEMAGGLUTINATION STRUCTURAL PROTEIN RED BLOOD CELL SIALYL-LACTOSE CELL ATTACHMENT ERYTHROCYTE SIALIC ACID FIBER PROTEIN
Ref.: THE CELL ADHESION MOLECULE "CAR" AND SIALIC ACID ON HUMAN ERYTHROCYTES INFLUENCE ADENOVIRUS IN VIVO BIODISTRIBUTION. PLOS PATHOG. V. 5 00277 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2WBV - SIA C11 H19 N O9 CC(=O)N[C@....
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 2WBV - SIA C11 H19 N O9 CC(=O)N[C@....
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 2WBV - SIA C11 H19 N O9 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA 1 1
2 SLB 1 1
3 18D 0.758621 0.955556
4 42D 0.758621 0.875
5 NGC 0.754386 0.933333
6 MNA 0.629032 0.895833
7 79J 0.615385 0.934783
8 SIA CMO 0.59375 0.877551
9 CNP 0.58209 0.875
10 KDN 0.568965 0.72093
11 KDM 0.568965 0.72093
12 SIA SIA 0.565789 0.826923
13 SLB SIA 0.565789 0.826923
14 SIA SIA SIA SLB 0.558442 0.826923
15 SLB SIA SIA 0.558442 0.826923
16 SLB SIA SIA SIA SIA 0.558442 0.826923
17 SIA SIA SIA SIA SIA SIA SIA 0.558442 0.826923
18 FSI 0.515152 0.895833
19 SFJ 0.5 0.875
20 6KL 0.5 0.807692
21 MN0 0.485714 0.895833
22 EQP 0.470588 0.788462
23 AXP 0.470588 0.788462
24 GAL SIA 0.469136 0.843137
25 SIA GAL 0.463415 0.86
26 SID 0.459459 0.82
27 SIA SIA SIA 0.453488 0.826923
28 MUS 0.449438 0.796296
29 NXD 0.447368 0.792453
30 SIA 2FG 0.447059 0.796296
31 SIA WIA 0.447059 0.767857
32 SLT 0.44086 0.877551
33 KDO 0.435484 0.704545
34 SIA NAG 0.430233 0.781818
35 4U0 0.427083 0.86
36 4U2 0.425532 0.843137
37 BND 0.416667 0.807692
38 SKD 0.414286 0.875
39 SIA SIA GAL 0.410526 0.811321
40 4U1 0.408163 0.826923
41 GLA GLC SIA 0.402062 0.86
42 GAL BGC SIA 0.402062 0.86
43 SIA BGC GAL 0.402062 0.86
44 BGC GAL SIA 0.402062 0.86
45 SIA GAL GLC 0.402062 0.86
46 BGC SIA GAL 0.402062 0.86
47 SIA GAL BGC 0.402062 0.86
48 4AM 0.4 0.833333
49 DAN 0.4 0.911111
Ligand no: 2; Ligand: SIA GAL; Similar ligands found: 90
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA GAL 1 1
2 SIA SIA GAL 0.835294 0.943396
3 5N6 GAL 0.817073 0.961538
4 SIA 2FG 0.790123 0.925926
5 SIA GAL A2G 0.725275 0.961538
6 NGA GAL SIA 0.725275 0.961538
7 BGC SIA GAL 0.717391 1
8 GAL BGC SIA 0.717391 1
9 SIA BGC GAL 0.717391 1
10 SIA GAL GLC 0.717391 1
11 SIA GAL BGC 0.717391 1
12 GLA GLC SIA 0.717391 1
13 BGC GAL SIA 0.717391 1
14 NAG SIA GAL 0.698925 0.961538
15 SIA GAL NAG 0.698925 0.961538
16 GAL SIA NGA GAL SIA 0.676768 0.961538
17 GAL NGA GAL SIA 0.66 0.961538
18 SIA GAL NGA GAL 0.66 0.961538
19 SIA GAL NGA 0.65625 0.961538
20 NGC MBG 0.651685 0.942308
21 SIA 2FG NAG 0.642857 0.892857
22 SIA GAL NAG SIA 0.637255 0.943396
23 NAG GAL NGC 0.633663 0.961538
24 SIA GAL NGS 0.631068 0.78125
25 GAL SIA NGA GAL 0.627451 0.961538
26 SIA SIA GLA BGC 0.622642 0.943396
27 BGC SIA SIA GAL 0.622642 0.943396
28 SIA GAL NDG SIA 0.621359 0.909091
29 FUC NDG GAL SIA 0.619048 0.961538
30 SIA GAL NDG FUC 0.619048 0.961538
31 SIA GLA NAG FUC 0.619048 0.961538
32 NAG FUC SIA GAL 0.619048 0.961538
33 NDG FUC SIA GAL 0.619048 0.961538
34 SIA GAL NAG FUC 0.619048 0.961538
35 SIA CMO 0.61039 0.867925
36 BGC GAL SIA SIA GAL NGA 0.605505 0.961538
37 GAL BGC GAL SIA NGA SIA 0.605505 0.961538
38 GAL SIA 0.602273 0.980392
39 MN0 GAL GLC 0.6 0.960784
40 SIA SIA GAL NGA GAL SIA 0.598214 0.943396
41 SIA GAL MAG FUC 0.588785 0.924528
42 SIA SIA GAL NGA GAL 0.578947 0.943396
43 SLT 0.575758 0.98
44 SIA GAL BGC NGA 0.568807 0.961538
45 GAL BGC SIA NGA 0.568807 0.961538
46 BGC GAL SIA NGA 0.568807 0.961538
47 SIA NAG GAL GAL 0.566038 0.943396
48 SIA GLA NGS FUC 0.565217 0.78125
49 4U2 0.56 0.942308
50 GAL NGA SIA GAL BGC 0.557522 0.961538
51 SIA GAL BGC NGA GAL 0.557522 0.961538
52 BGC GAL SIA NGA GAL 0.557522 0.961538
53 GAL NGA GAL BGC SIA 0.557522 0.961538
54 GAL NAG SIA GAL 0.545455 0.943396
55 SIA GAL NAG GAL 0.545455 0.943396
56 NGC GAL NGA POL AZI 0.54386 0.78125
57 MNA 0.5375 0.849057
58 SIA NAG GAL 0.533333 0.909091
59 BGC GAL SIA NGA GAL SIA 0.528 0.819672
60 NAG GAL SIA 0.52381 0.943396
61 SLB SIA 0.516129 0.924528
62 SIA SIA 0.516129 0.924528
63 Z3Q GAL 5N6 0.513043 0.806452
64 SLB SIA SIA SIA SIA 0.510638 0.924528
65 SIA SIA SIA SLB 0.510638 0.924528
66 SLB SIA SIA 0.510638 0.924528
67 SIA SIA SIA SIA SIA SIA SIA 0.510638 0.924528
68 SIA NAG 0.510417 0.875
69 SIA GAL SIA BGC NGA 0.504065 0.943396
70 SIA GAL SIA GLC NGA 0.504065 0.943396
71 GAL TNR SIA 0.495495 0.925926
72 SIA GAL BGC 16C 0.48855 0.806452
73 4U0 0.485981 0.960784
74 SIA SIA SIA 0.484848 0.924528
75 BGC 18C GAL SIA 0.481203 0.806452
76 BGC GAL CEQ SLB NGA GAL SIA SIA 0.474074 0.833333
77 SIA GAL NAG GAL BGC 0.471074 0.943396
78 BGC GAL NAG SIA GAL 0.471074 0.943396
79 SIA GAL NAG GAL GLC 0.471074 0.943396
80 4U1 0.46789 0.924528
81 SIA 0.463415 0.86
82 SLB 0.463415 0.86
83 SIA WIA 0.45 0.892857
84 CNP 0.438202 0.796296
85 SIA GAL SIA BGC NGA CEQ 0.434783 0.769231
86 MN0 0.431818 0.849057
87 SID 0.413043 0.781818
88 MUS 0.411215 0.793103
89 NXD 0.404255 0.789474
90 C5P SIA 0.403226 0.684932
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WBV; Ligand: SIA; Similar sites found: 106
This union binding pocket(no: 1) in the query (biounit: 2wbv.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1U1B PAX 0.02276 0.41081 None
2 4QLX KTC 0.02117 0.43398 1.5873
3 4QLX FMN 0.01615 0.43097 1.5873
4 3GP3 SEP 0.008418 0.41888 1.5873
5 4JGP PYR 0.01553 0.41791 1.5873
6 4FF8 14S 0.009474 0.41226 1.5873
7 5O0X FAD 0.00802 0.40921 1.5873
8 3FDZ 3PG 0.01423 0.40467 1.5873
9 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY 0.01573 0.42086 1.78571
10 3C0G 3AM 0.01483 0.42389 2.1164
11 5VC5 96M 0.02218 0.41808 2.1164
12 4IJP 1EH 0.005216 0.43554 2.6455
13 3E7O 35F 0.01169 0.43169 2.6455
14 3O0G 3O0 0.00906 0.42088 2.6455
15 5ETR APC 0.03048 0.42751 3.10559
16 5ETR 5RW 0.03048 0.42751 3.10559
17 5D63 FUC GAL GLA 0.01456 0.44183 3.1746
18 3NYQ AMP 0.006583 0.43889 3.1746
19 3NYQ MCA 0.006296 0.43889 3.1746
20 2BSA FAD 0.043 0.4124 3.1746
21 2BSA NAP 0.04407 0.4124 3.1746
22 2D37 FMN 0.01409 0.41694 3.40909
23 2D37 NAD 0.01482 0.41694 3.40909
24 1I0S FMN 0.005134 0.44323 3.5503
25 3CH6 NAP 0.007528 0.46978 3.7037
26 3CH6 311 0.007528 0.46978 3.7037
27 5SWB NAG BMA MAN MAN MAN MAN 0.004763 0.45872 3.7037
28 4EZW ASN ARG LEU LEU LEU THR GLY 0.003317 0.44819 3.7037
29 4AGQ P96 0.01272 0.44149 3.7037
30 1S1D GP2 0.007246 0.43731 3.7037
31 5IBP ACE ASP GLU VAL ASP 0QE 0.02504 0.41232 3.7037
32 4WNK 453 0.02241 0.41115 3.7037
33 2J83 BAT 0.03225 0.40904 3.7037
34 5W4W 9WG 0.03601 0.40856 3.7037
35 4YZC STU 0.02493 0.40708 3.7037
36 2QTZ FAD 0.0221 0.40131 3.7037
37 2QTZ NAP 0.04884 0.40131 3.7037
38 2H8H H8H 0.0192 0.40059 3.7037
39 1RYA GDP 0.01487 0.4255 3.75
40 3F5O UOC COA 0.01711 0.43159 4.05405
41 3A7R LAQ 0.00441 0.46446 4.2328
42 1MZC BNE 0.01644 0.45409 4.2328
43 1MZC FPP 0.01644 0.45409 4.2328
44 4G17 0VN 0.005735 0.44535 4.2328
45 3OZV FAD 0.01928 0.44363 4.2328
46 3SXF BK5 0.01517 0.4319 4.2328
47 5BO9 SIA GAL NGS 0.0469 0.41519 4.2328
48 3AKK ADP 0.02292 0.41471 4.2328
49 3VOT ADP 0.01187 0.40982 4.2328
50 3OZV ECN 0.03952 0.40787 4.2328
51 5JFT ACE ASP GLU VAL ASP 0QE 0.01041 0.40459 4.2328
52 2FB3 GTP 0.02247 0.43011 4.7619
53 5IBE 69M 0.02579 0.41366 4.7619
54 1S4M LUM 0.03242 0.40551 4.7619
55 1ONI BEZ 0.002596 0.44266 5.07246
56 5VCV 1N1 0.008962 0.44176 5.29101
57 1GP6 DH2 0.01575 0.43248 5.29101
58 1GP6 SIN 0.01575 0.43248 5.29101
59 5BVE 4VG 0.03777 0.43008 5.29101
60 2V3V MGD 0.04436 0.42134 5.29101
61 1A8P FAD 0.01137 0.41913 5.29101
62 5VZ0 ADP 0.01304 0.41332 5.29101
63 5HQ0 LZ9 0.01106 0.40581 5.29101
64 4H3P ANP 0.03707 0.40299 5.29101
65 1ZHS NAG NAG BMA MAN MAN 0.01994 0.40313 5.30973
66 3K87 FAD 0.04542 0.40286 5.40541
67 3ZOD HQE 0.009373 0.42245 5.82011
68 1VJY 460 0.02223 0.41985 5.82011
69 1NE7 16G 0.006824 0.41951 5.82011
70 5X8I SQZ 0.01493 0.4139 5.82011
71 5LVP ATP 0.024 0.40582 5.82011
72 5U6C 7YS 0.0332 0.40473 5.82011
73 2I0D MUT 0.006784 0.46288 6.06061
74 1W0H AMP 0.009587 0.43319 6.34921
75 2Z9I GLY ALA THR VAL 0.003183 0.40162 6.34921
76 4O1P ANP 0.01597 0.40071 6.34921
77 1O44 852 0.03145 0.40337 6.48148
78 3MMG GLU THR VAL ARG PHE GLN SER ASP 0.002441 0.4633 6.639
79 2RNF UM3 0.007502 0.41786 6.66667
80 5ARK UMP 0.009808 0.41938 6.71642
81 3WH2 FLC 0.008734 0.41667 6.80272
82 4YLL 4E3 0.004282 0.45529 8.46561
83 5NCF 8T5 0.02629 0.40391 8.84956
84 2WEL K88 0.003455 0.42298 8.99471
85 2VN9 GVD 0.008557 0.41789 8.99471
86 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 0.03747 0.40551 9.47368
87 1PVC ILE SER GLU VAL 0.001486 0.41941 9.52381
88 5IOK ACE GLN THR ALA ARG KCR SER THR 0.008159 0.42975 9.85915
89 3BIY 01K 0.01425 0.41728 10.0529
90 5LKT BCO 0.01997 0.40582 10.0529
91 3JVH HHV 0.02217 0.41391 10.3825
92 4GYW UDP 0.02406 0.42326 10.582
93 4BCM T7Z 0.009477 0.41146 10.582
94 3R5J ACE ALA ASP VAL ALA ASA 0.0149 0.40525 10.625
95 2PIA FMN 0.01469 0.41407 11.1111
96 5JOG 6LT 0.006746 0.43033 11.6402
97 3WG3 A2G GAL NAG FUC 0.008485 0.41027 11.7978
98 2ZPT A3P 0.04559 0.4271 12.1693
99 1NXJ GLV 0.01364 0.40293 13.1148
100 4XV1 904 0.0453 0.40866 13.2275
101 4NFD SIA 0.001582 0.44913 13.3333
102 4YEF 4CQ 0.004936 0.44347 14.6067
103 4KBB BGC GAL SIA NGA GAL SIA 0.009906 0.40411 14.7059
104 4OFJ HIS 0.009062 0.41182 15.3439
105 3DLG GWE 0.007608 0.46941 15.873
106 3T1A 5MA 0.01132 0.43131 15.873
Pocket No.: 2; Query (leader) PDB : 2WBV; Ligand: SIA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2wbv.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2WBV; Ligand: SIA; Similar sites found: 18
This union binding pocket(no: 3) in the query (biounit: 2wbv.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2P4T NAP 0.02658 0.40087 None
2 1UP7 NAD 0.03457 0.40688 1.0582
3 2PN6 GLN 0.01101 0.40647 1.33333
4 4IKR PVP 0.02715 0.40115 2.1164
5 2YAB AMP 0.02073 0.40993 2.6455
6 4Y0X ADP 0.01896 0.40844 2.6455
7 4IOK XPO 0.0395 0.40221 3.1746
8 1U7Z PMT 0.02702 0.4114 3.9823
9 5FBN 5WF 0.04343 0.40674 4.7619
10 3GC0 AMP 0.0159 0.40315 4.7619
11 4ASE AV9 0.04985 0.40161 4.7619
12 5MJA 7O3 0.02976 0.40053 5.29101
13 5FA8 SAM 0.04469 0.41144 5.59006
14 5LNQ CAA 0.04888 0.41044 5.82011
15 3W2E FAD 0.04389 0.40037 6.87831
16 3W2E NAD 0.04389 0.40037 6.87831
17 5F7N NAG GAL FUC FUC A2G 0.03915 0.41228 8.46561
18 4AUA 4AU 0.01623 0.40442 9.52381
Pocket No.: 4; Query (leader) PDB : 2WBV; Ligand: SIA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2wbv.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2WBV; Ligand: SIA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2wbv.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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