Receptor
PDB id Resolution Class Description Source Keywords
4MJ0 1.7 Å NON-ENZYME: OTHER BK POLYOMAVIRUS VP1 PENTAMER IN COMPLEX WITH GD3 OLIGOSACCHA BK POLYOMAVIRUS ANTIPARALLEL BETA SANDWICH JELLY-ROLL TOPOLOGY VIRAL PROTEPOLYOMAVIRUS RECEPTOR-SWITCHING GLYCAN RECEPTOR VIRUS MACAPSID PROTEIN ATTACHMENT TO HOST-CELL SURFACE RECEPTORS
Ref.: A STRUCTURE-GUIDED MUTATION IN THE MAJOR CAPSID PRO RETARGETS BK POLYOMAVIRUS. PLOS PATHOG. V. 9 03688 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:405;
C:405;
A:406;
E:403;
D:404;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
GOL D:403;
C:404;
B:404;
E:402;
E:401;
A:405;
B:403;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
BGC SIA SIA GAL A:403;
Valid;
none;
submit data
922.793 n/a O=C([...
SIA SIA GAL C:401;
Valid;
none;
submit data
760.652 n/a O=C([...
SIA SIA D:401;
B:401;
Valid;
Valid;
none;
none;
submit data
598.511 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MJ0 1.7 Å NON-ENZYME: OTHER BK POLYOMAVIRUS VP1 PENTAMER IN COMPLEX WITH GD3 OLIGOSACCHA BK POLYOMAVIRUS ANTIPARALLEL BETA SANDWICH JELLY-ROLL TOPOLOGY VIRAL PROTEPOLYOMAVIRUS RECEPTOR-SWITCHING GLYCAN RECEPTOR VIRUS MACAPSID PROTEIN ATTACHMENT TO HOST-CELL SURFACE RECEPTORS
Ref.: A STRUCTURE-GUIDED MUTATION IN THE MAJOR CAPSID PRO RETARGETS BK POLYOMAVIRUS. PLOS PATHOG. V. 9 03688 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4MJ0 - BGC SIA SIA GAL n/a n/a
70% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 5CPZ - SIA SIA GAL NGA GAL n/a n/a
2 5CPW - SIA SIA GAL NGA GAL n/a n/a
3 5CQ0 - SIA GAL NGA GAL n/a n/a
4 5CPY - SIA GAL NGA GAL n/a n/a
5 1VPS - SIA GAL NAG SIA n/a n/a
6 5CPX - SIA GAL n/a n/a
7 4U60 - SIA GAL BGC NGA GAL n/a n/a
8 4U62 - SIA C11 H19 N O9 CC(=O)N[C@....
9 4U61 - GAL SIA n/a n/a
10 4POR - BGC SIA GAL n/a n/a
11 4POS - NAG SIA GAL n/a n/a
12 4POT - NAG GAL NGC n/a n/a
13 4MJ0 - BGC SIA SIA GAL n/a n/a
14 3NXD - BGC GAL NAG SIA GAL n/a n/a
15 4X16 - SIA C11 H19 N O9 CC(=O)N[C@....
16 4X15 - SIA GAL BGC NGA n/a n/a
17 4X10 - SIA GAL BGC NGA n/a n/a
18 4X0Z - SIA GAL BGC NGA GAL n/a n/a
19 4JCF - SIA GAL NAG n/a n/a
20 4X12 - SIA SIA n/a n/a
21 4X14 - SIA GAL BGC NGA GAL n/a n/a
22 4X11 - SIA C11 H19 N O9 CC(=O)N[C@....
23 4X13 - SIA GAL NAG GAL BGC n/a n/a
24 4MBY - SIA GAL n/a n/a
25 4MBZ - SIA GAL n/a n/a
26 4FMI - NAG SIA GAL n/a n/a
27 4FMJ - SIA C11 H19 N O9 CC(=O)N[C@....
28 4FMH - SIA GAL n/a n/a
50% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 5CPZ - SIA SIA GAL NGA GAL n/a n/a
2 5CPW - SIA SIA GAL NGA GAL n/a n/a
3 5CQ0 - SIA GAL NGA GAL n/a n/a
4 5CPY - SIA GAL NGA GAL n/a n/a
5 1VPS - SIA GAL NAG SIA n/a n/a
6 5CPX - SIA GAL n/a n/a
7 4U60 - SIA GAL BGC NGA GAL n/a n/a
8 4U62 - SIA C11 H19 N O9 CC(=O)N[C@....
9 4U61 - GAL SIA n/a n/a
10 3BWR Kd ~ 3 mM GAL NGA SIA GAL BGC n/a n/a
11 4POR - BGC SIA GAL n/a n/a
12 4POS - NAG SIA GAL n/a n/a
13 4POT - NAG GAL NGC n/a n/a
14 4MJ0 - BGC SIA SIA GAL n/a n/a
15 3NXD - BGC GAL NAG SIA GAL n/a n/a
16 4X16 - SIA C11 H19 N O9 CC(=O)N[C@....
17 4X15 - SIA GAL BGC NGA n/a n/a
18 4X10 - SIA GAL BGC NGA n/a n/a
19 4X0Z - SIA GAL BGC NGA GAL n/a n/a
20 4X17 - SIA SIA n/a n/a
21 4JCF - SIA GAL NAG n/a n/a
22 4X12 - SIA SIA n/a n/a
23 4X14 - SIA GAL BGC NGA GAL n/a n/a
24 4X11 - SIA C11 H19 N O9 CC(=O)N[C@....
25 4X13 - SIA GAL NAG GAL BGC n/a n/a
26 4MBY - SIA GAL n/a n/a
27 4MBZ - SIA GAL n/a n/a
28 4FMI - NAG SIA GAL n/a n/a
29 4FMJ - SIA C11 H19 N O9 CC(=O)N[C@....
30 4FMH - SIA GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC SIA SIA GAL; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC SIA SIA GAL 1 1
2 SIA SIA GLA BGC 1 1
3 SIA SIA GAL NGA GAL 0.909091 1
4 GLA GLC SIA 0.861386 0.943396
5 BGC SIA GAL 0.861386 0.943396
6 SIA GAL BGC 0.861386 0.943396
7 BGC GAL SIA 0.861386 0.943396
8 SIA BGC GAL 0.861386 0.943396
9 SIA GAL GLC 0.861386 0.943396
10 GAL BGC SIA 0.861386 0.943396
11 SIA SIA GAL NGA GAL SIA 0.786325 1
12 GAL NGA GAL SIA 0.781818 0.981132
13 SIA GAL NGA GAL 0.781818 0.981132
14 SIA GAL SIA GLC NGA 0.77686 1
15 SIA GAL SIA BGC NGA 0.77686 1
16 SIA SIA GAL 0.754717 1
17 MN0 GAL GLC 0.743119 0.907407
18 BGC GAL SIA SIA GAL NGA 0.737288 0.981132
19 GAL BGC GAL SIA NGA SIA 0.737288 0.981132
20 NAG SIA GAL 0.724771 0.981132
21 SIA GAL NAG 0.724771 0.981132
22 SLT 0.722222 0.924528
23 GAL SIA NGA GAL SIA 0.675214 0.981132
24 GAL NGA GAL BGC SIA 0.674797 0.981132
25 BGC GAL SIA NGA GAL 0.674797 0.981132
26 SIA GAL BGC NGA GAL 0.674797 0.981132
27 GAL NGA SIA GAL BGC 0.674797 0.981132
28 BGC GAL CEQ SLB NGA GAL SIA SIA 0.671533 0.883333
29 NGA GAL SIA 0.669643 0.981132
30 SIA GAL A2G 0.669643 0.981132
31 NAG GAL NGC 0.666667 0.944444
32 SIA GAL BGC NGA 0.661157 0.981132
33 BGC GAL SIA NGA 0.661157 0.981132
34 GAL BGC SIA NGA 0.661157 0.981132
35 SIA GAL NGS 0.65 0.8
36 BGC GAL SIA NGA GAL SIA 0.649254 0.83871
37 NAG FUC SIA GAL 0.639344 0.981132
38 SIA GAL NDG FUC 0.639344 0.981132
39 NDG FUC SIA GAL 0.639344 0.981132
40 SIA GLA NAG FUC 0.639344 0.981132
41 FUC NDG GAL SIA 0.639344 0.981132
42 SIA GAL NAG FUC 0.639344 0.981132
43 SIA GAL 0.622642 0.943396
44 SIA GAL NAG SIA 0.614754 0.962963
45 SIA GAL MAG FUC 0.612903 0.944444
46 GAL SIA NGA GAL 0.606557 0.981132
47 4U2 0.603448 0.962264
48 SIA GAL NDG SIA 0.601626 0.928571
49 SIA GAL SIA BGC NGA CEQ 0.594406 0.815385
50 SIA GLA NGS FUC 0.590909 0.8
51 SIA GAL NAG GAL GLC 0.587786 0.962963
52 BGC GAL NAG SIA GAL 0.587786 0.962963
53 SIA GAL NAG GAL BGC 0.587786 0.962963
54 SIA GAL NGA 0.575 0.981132
55 SIA SIA SIA SIA SIA SIA SIA 0.563636 0.981132
56 SLB SIA SIA SIA SIA 0.563636 0.981132
57 SIA SIA SIA SLB 0.563636 0.981132
58 SLB SIA SIA 0.563636 0.981132
59 SIA 2FG 0.5625 0.877193
60 SIA GAL BGC 16C 0.5625 0.854839
61 4U0 0.561983 0.907407
62 SLB SIA 0.554545 0.981132
63 SIA SIA 0.554545 0.981132
64 SIA SIA SIA 0.552632 0.981132
65 BGC 18C GAL SIA 0.544218 0.854839
66 5N6 GAL 0.543103 0.944444
67 SIA 2FG NAG 0.540323 0.912281
68 NGC MBG 0.53913 0.890909
69 NGC GAL NGA POL AZI 0.537313 0.772727
70 Z3Q GAL 5N6 0.533835 0.825397
71 NAG GAL SIA 0.52 0.962963
72 GAL NAG SIA GAL 0.492537 0.962963
73 SIA GAL NAG GAL 0.492537 0.962963
74 SIA NAG GAL 0.492188 0.928571
75 SIA NAG GAL GAL 0.484848 0.962963
76 GAL SIA 0.474138 0.925926
77 GAL TNR SIA 0.473684 0.945455
78 4U1 0.472868 0.944444
79 BGC 18C GAL NGA SIA GAL 0.461078 0.854839
80 SIA CMO 0.439252 0.854545
81 NAG GAL BGC 0.410256 0.849057
82 GLC GAL NAG GAL 0.408333 0.849057
83 BGC GAL NAG GAL 0.403361 0.849057
84 GAL NAG GAL BGC 0.403361 0.849057
85 LAT NAG GAL 0.403361 0.849057
Ligand no: 2; Ligand: SIA SIA GAL; Similar ligands found: 83
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA SIA GAL 1 1
2 SIA GAL 0.835294 0.943396
3 BGC SIA SIA GAL 0.754717 1
4 SIA SIA GLA BGC 0.754717 1
5 SIA SIA GAL NGA GAL SIA 0.723214 1
6 SIA SIA GAL NGA GAL 0.701754 1
7 5N6 GAL 0.697917 0.944444
8 SIA 2FG 0.673684 0.877193
9 SIA SIA SIA SIA SIA SIA SIA 0.659574 0.981132
10 SIA SIA SIA SLB 0.659574 0.981132
11 SLB SIA SIA SIA SIA 0.659574 0.981132
12 SLB SIA SIA 0.659574 0.981132
13 SLB SIA 0.648936 0.981132
14 SIA SIA 0.648936 0.981132
15 NGA GAL SIA 0.628571 0.981132
16 SIA GAL A2G 0.628571 0.981132
17 SIA SIA SIA 0.626263 0.981132
18 SIA BGC GAL 0.622642 0.943396
19 GAL BGC SIA 0.622642 0.943396
20 BGC GAL SIA 0.622642 0.943396
21 SIA GAL BGC 0.622642 0.943396
22 BGC SIA GAL 0.622642 0.943396
23 GLA GLC SIA 0.622642 0.943396
24 SIA GAL GLC 0.622642 0.943396
25 SIA GAL SIA GLC NGA 0.617886 1
26 SIA GAL SIA BGC NGA 0.617886 1
27 NAG SIA GAL 0.607477 0.981132
28 SIA GAL NAG 0.607477 0.981132
29 GAL SIA NGA GAL SIA 0.607143 0.981132
30 SIA GAL NGA 0.587156 0.981132
31 GAL NGA GAL SIA 0.578947 0.981132
32 SIA GAL NGA GAL 0.578947 0.981132
33 BGC GAL CEQ SLB NGA GAL SIA SIA 0.577778 0.883333
34 SIA GAL NAG FUC 0.57265 0.981132
35 NAG FUC SIA GAL 0.57265 0.981132
36 SIA GLA NAG FUC 0.57265 0.981132
37 FUC NDG GAL SIA 0.57265 0.981132
38 SIA GAL NDG FUC 0.57265 0.981132
39 NDG FUC SIA GAL 0.57265 0.981132
40 GAL SIA NGA GAL 0.565217 0.981132
41 NGC MBG 0.563107 0.890909
42 SIA 2FG NAG 0.5625 0.912281
43 SIA GAL NAG SIA 0.560345 0.962963
44 NAG GAL NGC 0.556522 0.944444
45 SIA GAL NGS 0.555556 0.8
46 SIA GAL NDG SIA 0.547009 0.928571
47 SIA GAL MAG FUC 0.546219 0.944444
48 BGC GAL SIA SIA GAL NGA 0.536585 0.981132
49 GAL BGC GAL SIA NGA SIA 0.536585 0.981132
50 SIA GAL SIA BGC NGA CEQ 0.536232 0.815385
51 SIA GLA NGS FUC 0.527559 0.8
52 MN0 GAL GLC 0.526316 0.907407
53 GAL SIA 0.519608 0.925926
54 SIA CMO 0.516484 0.854545
55 SLT 0.504425 0.924528
56 GAL BGC SIA NGA 0.504065 0.981132
57 SIA GAL BGC NGA 0.504065 0.981132
58 BGC GAL SIA NGA 0.504065 0.981132
59 SIA NAG GAL GAL 0.5 0.962963
60 GAL NGA GAL BGC SIA 0.496063 0.981132
61 BGC GAL SIA NGA GAL 0.496063 0.981132
62 GAL NGA SIA GAL BGC 0.496063 0.981132
63 SIA GAL BGC NGA GAL 0.496063 0.981132
64 4U2 0.491228 0.962264
65 NGC GAL NGA POL AZI 0.484375 0.772727
66 SIA GAL NAG GAL 0.483871 0.962963
67 GAL NAG SIA GAL 0.483871 0.962963
68 BGC GAL SIA NGA GAL SIA 0.47482 0.83871
69 SIA NAG GAL 0.470588 0.928571
70 Z3Q GAL 5N6 0.46875 0.825397
71 NAG GAL SIA 0.462185 0.962963
72 SIA GAL BGC 16C 0.461538 0.854839
73 MNA 0.457447 0.836364
74 BGC 18C GAL SIA 0.455172 0.854839
75 GAL TNR SIA 0.451613 0.945455
76 SIA NAG 0.445455 0.928571
77 4U0 0.429752 0.907407
78 BGC GAL NAG SIA GAL 0.422222 0.962963
79 SIA GAL NAG GAL BGC 0.422222 0.962963
80 SIA GAL NAG GAL GLC 0.422222 0.962963
81 4U1 0.414634 0.944444
82 SLB 0.410526 0.811321
83 SIA 0.410526 0.811321
Ligand no: 3; Ligand: SIA SIA; Similar ligands found: 70
No: Ligand ECFP6 Tc MDL keys Tc
1 SLB SIA 1 1
2 SIA SIA 1 1
3 SIA SIA SIA SIA SIA SIA SIA 0.985915 1
4 SLB SIA SIA 0.985915 1
5 SLB SIA SIA SIA SIA 0.985915 1
6 SIA SIA SIA SLB 0.985915 1
7 SIA SIA SIA 0.717647 1
8 SIA SIA GAL 0.648936 0.981132
9 SIA CMO 0.64 0.87037
10 SLB 0.565789 0.826923
11 SIA 0.565789 0.826923
12 SIA SIA GLA BGC 0.554545 0.981132
13 BGC SIA SIA GAL 0.554545 0.981132
14 MNA 0.544304 0.851852
15 GAL SIA 0.521739 0.907407
16 SIA SIA GAL NGA GAL SIA 0.521368 0.981132
17 SIA SIA GAL NGA GAL 0.516949 0.981132
18 SIA GAL 0.516129 0.924528
19 SIA 2FG 0.5 0.859649
20 SIA GAL SIA BGC NGA 0.495935 0.981132
21 SIA GAL SIA GLC NGA 0.495935 0.981132
22 SIA NAG 0.484536 0.910714
23 18D 0.464286 0.796296
24 42D 0.464286 0.8
25 CNP 0.45977 0.767857
26 MUS 0.456311 0.79661
27 SIA GAL NGA 0.449541 0.962264
28 SIA GAL SIA BGC NGA CEQ 0.448529 0.8
29 BGC GAL CEQ SLB NGA GAL SIA SIA 0.445255 0.866667
30 NGA GAL SIA 0.444444 0.962264
31 SIA GAL A2G 0.444444 0.962264
32 NGC 0.440476 0.811321
33 SIA BGC GAL 0.440367 0.924528
34 BGC GAL SIA 0.440367 0.924528
35 SIA GAL BGC 0.440367 0.924528
36 NAG SIA GAL 0.440367 0.962264
37 SIA GAL NAG 0.440367 0.962264
38 SIA GAL GLC 0.440367 0.924528
39 GLA GLC SIA 0.440367 0.924528
40 BGC SIA GAL 0.440367 0.924528
41 GAL BGC SIA 0.440367 0.924528
42 MN0 0.436782 0.818182
43 NAG GAL SIA 0.432432 0.944444
44 SIA NAG GAL 0.428571 0.910714
45 SIA 2FG NAG 0.428571 0.894737
46 5N6 GAL 0.423077 0.925926
47 GAL SIA NGA GAL SIA 0.422414 0.962264
48 GAL SIA NGA GAL 0.422414 0.962264
49 GAL TNR SIA 0.422414 0.927273
50 NDG FUC SIA GAL 0.420168 0.962264
51 FUC NDG GAL SIA 0.420168 0.962264
52 SIA GAL MAG FUC 0.420168 0.962264
53 SIA GLA NAG FUC 0.420168 0.962264
54 NAG FUC SIA GAL 0.420168 0.962264
55 SIA GAL NAG FUC 0.420168 0.962264
56 SIA GAL NDG FUC 0.420168 0.962264
57 SID 0.417582 0.785714
58 NGC MBG 0.417476 0.907407
59 SIA WIA 0.411765 0.862069
60 GAL NGA GAL SIA 0.410256 0.962264
61 SIA GAL NGA GAL 0.410256 0.962264
62 SIA NAG GAL GAL 0.410256 0.944444
63 NXD 0.408602 0.793103
64 SIA GAL NDG SIA 0.40678 0.910714
65 SIA GAL NAG SIA 0.40678 0.944444
66 C5P SIA 0.406504 0.666667
67 425 0.405405 0.662338
68 SIA GAL NGS 0.403361 0.784615
69 NAG GAL NGC 0.401709 0.925926
70 79J 0.4 0.849057
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MJ0; Ligand: SIA SIA GAL; Similar sites found: 33
This union binding pocket(no: 1) in the query (biounit: 4mj0.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC 0.00007562 0.48835 None
2 2BOS GLA GAL 0.0001104 0.47586 None
3 3ZW2 GLA NAG GAL FUC 0.02019 0.40348 None
4 3ZW2 NAG GAL FUC 0.01499 0.40235 None
5 4ZU4 4TG 0.02048 0.40383 1.35135
6 3JUK UPG 0.03735 0.40371 2.54545
7 2HW2 RFP 0.03322 0.40342 2.7972
8 1S4M LUM 0.01549 0.4258 2.90909
9 1E7S NAP 0.02294 0.4192 2.90909
10 4EUO ABU 0.007886 0.40534 3.4375
11 1UM0 FMN 0.0188 0.41548 4
12 1N07 FMN 0.02686 0.41683 4.29448
13 1OVD FMN 0.03567 0.41325 4.36364
14 4CVC PQQ 0.0216 0.40051 4.36364
15 1WUB OTP 0.02877 0.42315 4.49438
16 5X7Q BGC 0.03598 0.42337 5.09091
17 5EOB 5QQ 0.04212 0.41787 5.09091
18 5T9C G3P 0.009507 0.40156 5.22388
19 1MJJ HAL 0.01884 0.41635 5.28634
20 1W6S PQQ 0.0219 0.40651 5.40541
21 5VGS 9A7 0.01196 0.40416 5.73248
22 2A4W BLM 0.01282 0.42884 5.7971
23 3VQ2 LP4 LP5 MYR DAO 0.03215 0.4157 6.25
24 1KZN CBN 0.01752 0.41154 6.34146
25 4HP0 NOJ NAG NAG NAG 0.002172 0.47119 6.97674
26 3BXO UPP 0.01124 0.41807 7.11297
27 4M1U A2G MBG 0.0006256 0.43315 7.14286
28 5DG2 GAL GLC 0.006704 0.40155 8.14815
29 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.02053 0.42751 11.1111
30 1NB9 RBF 0.01547 0.43692 13.6054
31 1NB9 ADP 0.01547 0.43692 13.6054
32 1BB6 UMG 0.009803 0.42867 16.2791
33 4TWP AXI 0.01886 0.43602 18.4502
Pocket No.: 2; Query (leader) PDB : 4MJ0; Ligand: BGC SIA SIA GAL; Similar sites found: 29
This union binding pocket(no: 2) in the query (biounit: 4mj0.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC 0.00008214 0.48622 None
2 2BOS GLA GAL 0.0001259 0.47139 None
3 4ZU4 4TG 0.02109 0.40323 1.35135
4 1S4M LUM 0.01711 0.42319 2.90909
5 1E7S NAP 0.02153 0.42005 2.90909
6 4EUO ABU 0.008893 0.40107 3.4375
7 5A3T MMK 0.0389 0.40402 3.63636
8 3Q60 ATP 0.01941 0.40394 3.63636
9 1JCM 137 0.01751 0.40737 3.861
10 1N07 FMN 0.02602 0.41774 4.29448
11 1OVD FMN 0.03926 0.4108 4.36364
12 5X7Q BGC 0.04062 0.42044 5.09091
13 5EOB 5QQ 0.04614 0.41526 5.09091
14 1MJJ HAL 0.0214 0.41505 5.28634
15 3VQ2 LP4 LP5 MYR DAO 0.03361 0.4145 6.25
16 1KZN CBN 0.01473 0.41578 6.34146
17 5A89 ADP 0.01984 0.43381 6.41026
18 4HP0 NOJ NAG NAG NAG 0.001765 0.47666 6.97674
19 3BXO UPP 0.01211 0.41611 7.11297
20 4M1U A2G MBG 0.000648 0.43257 7.14286
21 4M1U MBG A2G 0.01028 0.43006 7.14286
22 4JIQ FMN 0.03182 0.40738 7.63636
23 5DG2 GAL GLC 0.007144 0.40255 8.14815
24 2QF7 AGS 0.03024 0.40436 10.1818
25 1NB9 RBF 0.01572 0.43658 13.6054
26 1NB9 ADP 0.01572 0.43658 13.6054
27 1BB6 UMG 0.009577 0.4293 16.2791
28 4PSB GA3 0.04042 0.40782 16.7742
29 4TWP AXI 0.01799 0.43733 18.4502
Pocket No.: 3; Query (leader) PDB : 4MJ0; Ligand: SIA SIA; Similar sites found: 27
This union binding pocket(no: 3) in the query (biounit: 4mj0.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC 0.0001179 0.47833 None
2 2BOS GLA GAL 0.0001493 0.46783 None
3 4N02 FNR 0.02974 0.40588 1.81818
4 5UR1 YY9 0.02323 0.42762 2.18182
5 4EUO ABU 0.009736 0.40048 3.4375
6 4B0T ADP 0.02964 0.40531 4
7 2CET PGI 0.03992 0.40301 4
8 1OVD FMN 0.03749 0.41268 4.36364
9 5ML3 DL3 0.04973 0.4061 4.69799
10 1W6S PQQ 0.02748 0.40186 5.40541
11 1T90 NAD 0.02126 0.42102 5.45455
12 4UWJ MYA 0.04322 0.42647 5.81818
13 4UWJ 7L5 0.04322 0.42647 5.81818
14 5BV3 M7G 0.02336 0.4049 5.81818
15 5A5W GUO 0.03418 0.41699 5.92885
16 5A89 ADP 0.02195 0.43119 6.41026
17 5A89 FMN 0.02195 0.43119 6.41026
18 1U72 NDP 0.03235 0.42797 6.45161
19 4IPH 1FJ 0.01525 0.42229 6.50407
20 1W6P NDG GAL 0.0126 0.40343 6.71642
21 4HP0 NOJ NAG NAG NAG 0.004313 0.45413 6.97674
22 3BXO UPP 0.01566 0.40942 7.11297
23 4M1U A2G MBG 0.000859 0.4178 7.14286
24 2CNT COA 0.01105 0.42814 8.125
25 1GP6 QUE 0.03809 0.40256 8.72727
26 3T2C 13P 0.04117 0.40001 9.45455
27 1BB6 UMG 0.01329 0.41947 16.2791
Pocket No.: 4; Query (leader) PDB : 4MJ0; Ligand: SIA SIA; Similar sites found: 13
This union binding pocket(no: 4) in the query (biounit: 4mj0.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NFQ NAI 0.0201 0.42364 2.30769
2 1S4M LUM 0.02143 0.41717 2.90909
3 1E7S NAP 0.02588 0.4171 2.90909
4 1N07 FMN 0.0333 0.41228 4.29448
5 4CVC PQQ 0.02063 0.40287 4.36364
6 1MJJ HAL 0.02966 0.40682 5.28634
7 4GLL NAD 0.04435 0.4044 5.45455
8 1I58 ACP 0.02808 0.40363 6.87831
9 4M1U MBG A2G 0.01909 0.41518 7.14286
10 4AF0 IMP 0.02808 0.40312 8
11 1NB9 ADP 0.02152 0.42841 13.6054
12 1NB9 RBF 0.02152 0.42841 13.6054
13 4TWP AXI 0.02036 0.44696 18.4502
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