Receptor
PDB id Resolution Class Description Source Keywords
5T96 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE INFECTIOUS SALMON ANEMIA VIRUS (ISA VIRAL RECEPTOR COMPLEX INFECTIOUS SALMON ANEMIA VIRUS 4-0-ACETYLSIALIC ACID HYDROLASE HEMAGGLUTININ COILED-COILRECEPTOR-COMPLEX INFECTIOUS SALMON ANEMIA VIRUS ISAV VIRPROTEIN
Ref.: STRUCTURE OF THE INFECTIOUS SALMON ANEMIA VIRUS REC COMPLEX ILLUSTRATES A UNIQUE BINDING STRATEGY FOR ATTACHMENT. PROC. NATL. ACAD. SCI. V. 114 E2929 2017 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG D:401;
A:402;
F:401;
A:401;
D:402;
B:401;
Part of Protein;
Invalid;
Invalid;
Part of Protein;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
FMT C:401;
C:408;
F:404;
B:407;
F:405;
D:408;
B:408;
A:408;
B:410;
A:405;
C:404;
D:406;
C:406;
C:405;
E:404;
B:405;
F:406;
D:407;
D:412;
A:407;
A:406;
D:410;
C:407;
E:403;
D:411;
B:409;
D:409;
B:406;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
79J C:402;
B:402;
E:401;
F:402;
A:403;
D:403;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
351.307 C13 H21 N O10 CC(=O...
GOL B:404;
C:403;
E:402;
A:404;
B:403;
F:403;
D:405;
D:404;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5T96 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE INFECTIOUS SALMON ANEMIA VIRUS (ISA VIRAL RECEPTOR COMPLEX INFECTIOUS SALMON ANEMIA VIRUS 4-0-ACETYLSIALIC ACID HYDROLASE HEMAGGLUTININ COILED-COILRECEPTOR-COMPLEX INFECTIOUS SALMON ANEMIA VIRUS ISAV VIRPROTEIN
Ref.: STRUCTURE OF THE INFECTIOUS SALMON ANEMIA VIRUS REC COMPLEX ILLUSTRATES A UNIQUE BINDING STRATEGY FOR ATTACHMENT. PROC. NATL. ACAD. SCI. V. 114 E2929 2017 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5T96 - 79J C13 H21 N O10 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 5T96 - 79J C13 H21 N O10 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 5T96 - 79J C13 H21 N O10 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 79J; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 79J 1 1
2 SIA 0.615385 0.934783
3 SLB 0.615385 0.934783
4 SIO 0.519481 0.918367
5 42D 0.513889 0.86
6 18D 0.493151 0.895833
7 NGC 0.486111 0.875
8 MNA 0.479452 0.918367
9 6KL 0.472973 0.865385
10 CNP 0.467532 0.823529
11 FSI 0.465753 0.843137
12 SIA CMO 0.453333 0.9
13 SFJ 0.452055 0.823529
14 KDN 0.42029 0.673913
15 KDM 0.42029 0.673913
16 SLB SIA 0.4 0.849057
17 SIA SIA 0.4 0.849057
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5T96; Ligand: 79J; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5t96.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5T96; Ligand: 79J; Similar sites found: 133
This union binding pocket(no: 2) in the query (biounit: 5t96.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EOB 5QQ 0.04779 0.41242 0.940439
2 1VP5 NAP 0.01267 0.43541 1.00671
3 3WCZ NAP 0.008592 0.43758 1.2987
4 1VBJ NAP 0.004262 0.46239 1.42349
5 1MO9 KPC 0.01597 0.44362 1.46199
6 5MW8 ATP 0.01369 0.42028 1.46199
7 1ZQ5 E04 0.02998 0.42636 1.54799
8 1ZQ5 NAP 0.02998 0.42636 1.54799
9 1AFS NAP 0.03313 0.40673 1.54799
10 1ZUA NAP 0.02053 0.43813 1.57729
11 1ZUA TOL 0.02053 0.43813 1.57729
12 1J09 ATP 0.001861 0.46771 1.75439
13 1J09 GLU 0.001861 0.46771 1.75439
14 2JLD AG1 0.01223 0.43784 1.75439
15 3QSB 743 0.005555 0.42421 1.75439
16 1Q8Y ADP 0.01919 0.41332 1.75439
17 4H3P ANP 0.01903 0.40061 1.75439
18 4RL4 PPV 0.01603 0.40348 1.88679
19 4GID 0GH 0.03808 0.42206 2.04678
20 3Q60 ATP 0.009553 0.42141 2.04678
21 2TOH HBI 0.04077 0.42111 2.04678
22 1ZPD DPX 0.04259 0.4017 2.04678
23 3KRB NAP 0.004988 0.45085 2.09581
24 3CV7 NAP 0.0169 0.43186 2.15385
25 3CV7 C2U 0.01756 0.43186 2.15385
26 4K33 ACP 0.01499 0.40824 2.15385
27 3L8H FX1 0.005502 0.42633 2.23464
28 3RI1 3RH 0.002088 0.47546 2.23642
29 2YKL NLD 0.02178 0.40378 2.31481
30 3UDZ ADP 0.01498 0.41714 2.33918
31 5HSA FAS 0.02849 0.41572 2.33918
32 1Z2I NAD 0.03457 0.4093 2.33918
33 5DEY 59T 0.03146 0.40832 2.3569
34 3ZJX BOG 0.005963 0.40377 2.42215
35 3ALN ANP 0.01178 0.41476 2.44648
36 1EKO I84 0.01576 0.43944 2.53968
37 1EKO NAP 0.01524 0.43944 2.53968
38 4IJR NDP 0.004969 0.45523 2.63158
39 1V59 FAD 0.04018 0.40627 2.63158
40 3S2U UD1 0.02879 0.40235 2.63158
41 3KJS NAP 0.04616 0.40137 2.63158
42 4V24 GYR 0.04779 0.40104 2.63158
43 5VC5 96M 0.006179 0.44372 2.76817
44 5KO1 6UY 0.008641 0.42684 2.82686
45 3K3K A8S 0.01107 0.42022 2.8436
46 5JH2 A2P 0.0005277 0.48339 2.90323
47 5EFQ ADP 0.02659 0.40425 2.98507
48 4NST ADP 0.02898 0.4016 2.98507
49 3PLS ANP 0.007009 0.425 3.02013
50 4Y7U 2KH 0.01261 0.43513 3.0303
51 3NTY NAP 0.01766 0.42863 3.09598
52 3NTY 5P3 0.0183 0.42863 3.09598
53 4EUU BX7 0.03292 0.40315 3.1348
54 1FRB ZST 0.008589 0.4541 3.1746
55 1ZGD NAP 0.02361 0.40873 3.20513
56 1FEC FAD 0.008991 0.44243 3.21637
57 4H3Q ANP 0.021 0.41005 3.21637
58 1RKX NAD 0.04522 0.4045 3.21637
59 4OTH DRN 0.009596 0.42896 3.22581
60 1ZB6 GST 0.02957 0.40384 3.25733
61 1ZB6 DIN 0.02816 0.40384 3.25733
62 3H7R NAP 0.002959 0.47071 3.32326
63 2BGS NDP 0.002907 0.47259 3.50877
64 4R5M 4NO 0.005276 0.4505 3.50877
65 2JDR L20 0.03085 0.43048 3.50877
66 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.03085 0.43048 3.50877
67 4QTB 38Z 0.01971 0.41925 3.50877
68 4A3U FMN 0.01653 0.41167 3.50877
69 1ICP FMN 0.02686 0.40825 3.50877
70 1QD1 FON 0.0219 0.41188 3.69231
71 1VKF CIT 0.01642 0.40087 3.7234
72 5MY8 RXZ 0.007534 0.43572 3.80117
73 2Y6Q I7T 0.0366 0.42069 3.80117
74 2WU6 DKI 0.02124 0.41179 3.80117
75 3TFJ THG 0.03044 0.40465 3.80117
76 3EYA TDP 0.03801 0.40074 3.80117
77 1NFS DED 0.01625 0.40655 3.82514
78 4EIL NDP 0.01153 0.42394 4.09357
79 3LAD FAD 0.02511 0.41553 4.09357
80 4QMN DB8 0.03721 0.41056 4.19355
81 4M69 ANP 0.006488 0.43729 4.24028
82 3RIY NAD 0.0448 0.4021 4.3956
83 2QCS ANP 0.04046 0.40318 4.46735
84 3LXK MI1 0.0355 0.4057 4.58716
85 4JIQ FMN 0.01527 0.41692 4.67836
86 4JIQ 1L5 0.01527 0.41692 4.67836
87 4F07 FAD 0.01776 0.41184 4.73684
88 2I74 MAN MAN MAN MAN 0.0123 0.40568 4.97076
89 5LVP ATP 0.01585 0.405 5.14469
90 3A7R LAQ 0.03737 0.4131 5.34125
91 5DQ8 FLF 0.03429 0.40117 5.41667
92 3GNI ATP 0.02206 0.40899 5.55556
93 1XTT U5P 0.01792 0.40437 5.55556
94 4F9C 0SX 0.002268 0.4533 5.81717
95 1KNR FAD 0.03421 0.41284 5.84795
96 5IXJ THR 0.04366 0.40037 5.84795
97 5AYE BMA BMA 0.008739 0.42194 5.97015
98 4TSZ ACE GLN ALC ASP LEU ZCL 0.007168 0.4273 6.14035
99 2AE2 NAP 0.03326 0.42341 6.15385
100 2AE2 PTO 0.03326 0.42341 6.15385
101 3MWL 8OX 0.01309 0.40251 6.28019
102 4N70 2HX 0.02424 0.43556 6.40244
103 4IPH 1FJ 0.02463 0.40896 6.50407
104 4YRY NAD 0.03128 0.42485 6.72515
105 4YRY FAD 0.02341 0.42485 6.72515
106 2XN3 ID8 0.01208 0.40212 6.72515
107 3HNC TTP 0.01194 0.41617 7.01754
108 5JZJ AN2 0.01066 0.41147 7.07071
109 2Q3O FMN 0.01111 0.41944 7.30994
110 3CAQ NDP 0.02207 0.42994 7.36196
111 4KM2 ATR 0.02531 0.40725 7.60234
112 4KM2 TOP 0.02654 0.40725 7.60234
113 3FHI ANP 0.02676 0.40285 7.79221
114 3GDN FAD 0.003115 0.47093 8.18713
115 3OJI PYV 0.01036 0.4239 8.46561
116 3A5Y KAA 0.009551 0.43729 8.47953
117 5D48 L96 0.008255 0.44011 8.55263
118 3SLS ANP 0.001732 0.46694 8.88158
119 5FAL SKT 0.009277 0.46272 9.06433
120 5FAL COA 0.009277 0.46272 9.06433
121 4GV4 MEJ 0.02052 0.40681 9.35672
122 1RVX SIA GAL NAG 0.004634 0.43619 9.375
123 1VYP FMN 0.027 0.40439 9.94152
124 2C42 PYR 0.03283 0.4111 10.2339
125 2C42 TPP 0.03283 0.4111 10.2339
126 5W4W 9WG 0.0465 0.40023 11.1782
127 4F7E 0SH 0.03429 0.41739 11.2245
128 3VHH VHH 0.04783 0.41809 11.3821
129 3D78 NBB 0.03918 0.40298 11.7647
130 2YAK OSV 0.01546 0.42871 13.3333
131 4BH1 SIA GAL NAG 0.002052 0.45859 15.0602
132 1DR1 HBI 0.02516 0.41742 19.0476
133 1DR1 NAP 0.02516 0.41742 19.0476
Pocket No.: 3; Query (leader) PDB : 5T96; Ligand: 79J; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5t96.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5T96; Ligand: 79J; Similar sites found: 34
This union binding pocket(no: 4) in the query (biounit: 5t96.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1I8T FAD 0.03261 0.41799 1.46199
2 2O3Z AI7 0.04394 0.40193 1.47601
3 2BL9 NDP 0.03959 0.40575 2.10084
4 2BL9 CP6 0.03959 0.40575 2.10084
5 3CV6 NAP 0.02755 0.4215 2.16718
6 3CV6 HXS 0.02858 0.4215 2.16718
7 3E9I XAH 0.01266 0.43557 2.33918
8 4ZLU ADP 0.04862 0.40471 2.33918
9 4ZLU 4PW 0.04862 0.40471 2.33918
10 4XV1 904 0.03103 0.41055 2.39726
11 4DV8 0LX 0.04678 0.40447 2.63158
12 4FWE FAD 0.02625 0.42144 2.92398
13 1D1G NDP 0.0238 0.40476 2.97619
14 1T0I FMN 0.02259 0.4005 3.14136
15 3BIY 01K 0.02505 0.41082 3.21637
16 1YY5 FAD 0.04274 0.40941 3.80117
17 2QE4 JJ3 0.04007 0.41988 4.03226
18 2RAB FAD 0.04306 0.41035 4.09357
19 1TB3 FMN 0.02925 0.40818 4.09357
20 2AG4 OLA 0.02559 0.43738 4.26829
21 2AG4 LP3 0.02761 0.43738 4.26829
22 5LI1 ANP 0.02321 0.40475 4.67836
23 3NKS FAD 0.02824 0.4187 4.97076
24 3HAV SRY 0.016 0.40568 5.35117
25 3GDN HBX 0.02491 0.42978 8.18713
26 5UKL SIX 0.03409 0.40241 8.77193
27 3A5Z KAA 0.0398 0.40236 8.84146
28 3NRR NAP 0.02634 0.4263 9.64912
29 5JCA FAD 0.04479 0.41174 10.5634
30 4YSX FAD 0.04337 0.40831 12.766
31 5JFT ACE ASP GLU VAL ASP 0QE 0.02174 0.40471 17.2691
32 1U72 MTX 0.0329 0.42655 19.8925
33 1U72 NDP 0.0329 0.42655 19.8925
34 4Q5H ANP 0.01743 0.40922 22.3684
Pocket No.: 5; Query (leader) PDB : 5T96; Ligand: 79J; 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: 5t96.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5T96; Ligand: 79J; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5t96.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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