Receptor
PDB id Resolution Class Description Source Keywords
4U60 1.5 Å NON-ENZYME: STRUCTURAL TRICHODYSPLASIA SPINULOSA-ASSOCIATED POLYOMAVIRUS (TSPYV) VP COMPLEX WITH GM1 OLIGOSACCHARIDE TRICHODYSPLASIA SPINULOSA-ASSOCIATED POLYOMAVIRUS VIRAL COAT PROTEIN JELLY-ROLL FOLD CARBOHYDRATE BINDING VPROTEIN
Ref.: TRICHODYSPLASIA SPINULOSA-ASSOCIATED POLYOMAVIRUS U DISPLACED BINDING SITE ON VP1 TO ENGAGE SIALYLATED GLYCOLIPIDS. PLOS PATHOG. V. 11 05112 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SIA B:404;
Valid;
none;
submit data
309.27 C11 H19 N O9 CC(=O...
GOL C:404;
A:404;
D:406;
D:407;
B:401;
C:405;
A:405;
B:402;
E:406;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SIA GAL BGC NGA GAL E:401;
D:401;
Valid;
Valid;
Atoms found MORE than expected: % Diff = 1.029;
none;
submit data
997.88 n/a O=C([...
EDO A:406;
E:407;
D:408;
B:403;
C:406;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SIA GAL NGA A:401;
C:401;
Valid;
Valid;
none;
none;
submit data
673.598 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4U60 1.5 Å NON-ENZYME: STRUCTURAL TRICHODYSPLASIA SPINULOSA-ASSOCIATED POLYOMAVIRUS (TSPYV) VP COMPLEX WITH GM1 OLIGOSACCHARIDE TRICHODYSPLASIA SPINULOSA-ASSOCIATED POLYOMAVIRUS VIRAL COAT PROTEIN JELLY-ROLL FOLD CARBOHYDRATE BINDING VPROTEIN
Ref.: TRICHODYSPLASIA SPINULOSA-ASSOCIATED POLYOMAVIRUS U DISPLACED BINDING SITE ON VP1 TO ENGAGE SIALYLATED GLYCOLIPIDS. PLOS PATHOG. V. 11 05112 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4U60 - SIA GAL BGC NGA GAL n/a n/a
2 4U62 - SIA C11 H19 N O9 CC(=O)N[C@....
3 4U61 - GAL SIA 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: 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 BGC NGA GAL; Similar ligands found: 92
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GAL SIA NGA GAL 1 1
2 SIA GAL BGC NGA GAL 1 1
3 GAL NGA SIA GAL BGC 1 1
4 GAL NGA GAL BGC SIA 1 1
5 BGC GAL SIA SIA GAL NGA 0.917431 1
6 GAL BGC GAL SIA NGA SIA 0.917431 1
7 GAL SIA NGA GAL 0.834862 1
8 GAL BGC SIA NGA 0.830357 1
9 BGC GAL SIA NGA 0.830357 1
10 SIA GAL BGC NGA 0.830357 1
11 SIA GAL NGA GAL 0.818182 1
12 GAL NGA GAL SIA 0.818182 1
13 GAL SIA NGA GAL SIA 0.769912 1
14 GAL BGC SIA 0.761468 0.961538
15 SIA GAL GLC 0.761468 0.961538
16 BGC SIA GAL 0.761468 0.961538
17 SIA BGC GAL 0.761468 0.961538
18 BGC GAL SIA 0.761468 0.961538
19 GLA GLC SIA 0.761468 0.961538
20 SIA GAL BGC 0.761468 0.961538
21 SIA GAL SIA BGC NGA 0.738095 0.981132
22 SIA GAL SIA GLC NGA 0.738095 0.981132
23 SIA SIA GAL NGA GAL 0.725806 0.981132
24 BGC GAL SIA NGA GAL SIA 0.704545 0.852459
25 SIA SIA GAL NGA GAL SIA 0.690476 0.981132
26 SIA SIA GLA BGC 0.674797 0.981132
27 BGC SIA SIA GAL 0.674797 0.981132
28 BGC GAL CEQ SLB NGA GAL SIA SIA 0.664286 0.866667
29 SIA GAL NGA 0.663793 1
30 MN0 GAL GLC 0.65812 0.924528
31 SLT 0.652174 0.942308
32 BGC 18C GAL NGA SIA GAL 0.642384 0.83871
33 SIA GAL NAG 0.641026 1
34 NAG SIA GAL 0.641026 1
35 NGA GAL SIA 0.632479 1
36 SIA GAL A2G 0.632479 1
37 BGC GAL NAG SIA GAL 0.630769 0.981132
38 SIA GAL NAG GAL GLC 0.630769 0.981132
39 SIA GAL NAG GAL BGC 0.630769 0.981132
40 SIA NAG GAL GAL 0.6 0.981132
41 4U0 0.595041 0.924528
42 NAG GAL NGC 0.592 0.962264
43 SIA GAL NGS 0.590551 0.8125
44 SIA GAL NAG SIA 0.582677 0.981132
45 SIA GAL NAG FUC 0.581395 1
46 SIA GLA NAG FUC 0.581395 1
47 NAG FUC SIA GAL 0.581395 1
48 SIA GAL NDG FUC 0.581395 1
49 SIA GAL MAG FUC 0.581395 0.962264
50 NDG FUC SIA GAL 0.581395 1
51 FUC NDG GAL SIA 0.581395 1
52 SIA GAL NDG SIA 0.55814 0.945455
53 SIA GAL 0.557522 0.961538
54 BGC GAL NAG GAL 0.554545 0.865385
55 GAL NAG GAL BGC 0.554545 0.865385
56 LAT NAG GAL 0.554545 0.865385
57 NAG GAL SIA 0.552 0.981132
58 GAL TNR SIA 0.550388 0.962963
59 GAL NGA GLA BGC GAL 0.548673 0.865385
60 SIA NAG GAL 0.547619 0.945455
61 SIA 2FG NAG 0.547619 0.928571
62 4U2 0.544715 0.980769
63 SIA GLA NGS FUC 0.539568 0.8125
64 GAL NAG SIA GAL 0.533835 0.981132
65 SIA GAL NAG GAL 0.533835 0.981132
66 NGC GAL NGA POL AZI 0.532847 0.784615
67 SIA 2FG 0.529915 0.892857
68 SIA GAL SIA BGC NGA CEQ 0.526316 0.8
69 Z3Q GAL 5N6 0.518248 0.83871
70 SIA GAL BGC 16C 0.506579 0.83871
71 4U1 0.503876 0.962264
72 5N6 GAL 0.5 0.962264
73 SIA SIA GAL 0.496063 0.981132
74 BGC 18C GAL SIA 0.490323 0.83871
75 NGC MBG 0.483607 0.907407
76 GAL SIA 0.483051 0.943396
77 FUC GAL NAG GAL BGC 0.472 0.884615
78 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.466667 0.962963
79 ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 0.466667 0.962963
80 GLC GAL NAG GAL 0.466102 0.865385
81 GLA GAL NAG FUC GAL GLC 0.465116 0.884615
82 NGA GLA GAL BGC 0.45 0.865385
83 GLC GAL NAG GAL FUC FUC 0.446154 0.903846
84 BGC GAL NAG GAL FUC FUC 0.446154 0.903846
85 NAG GAL BGC 0.444444 0.865385
86 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.435065 0.962963
87 A2G GAL NAG FUC GAL GLC 0.426471 0.942308
88 GLC GAL NAG GAL FUC A2G 0.426471 0.942308
89 SIA CMO 0.423423 0.87037
90 NGA GAL BGC 0.422414 0.865385
91 GLA GAL BGC 0.4 0.634615
92 GLA GAL GAL 0.4 0.634615
Ligand no: 3; Ligand: SIA GAL NGA; Similar ligands found: 120
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA GAL NGA 1 1
2 GAL BGC SIA NGA 0.807692 1
3 SIA GAL BGC NGA 0.807692 1
4 BGC GAL SIA NGA 0.807692 1
5 GAL SIA NGA GAL 0.794118 1
6 GAL SIA NGA GAL SIA 0.759615 1
7 SIA GAL SIA GLC NGA 0.726496 0.981132
8 SIA GAL SIA BGC NGA 0.726496 0.981132
9 SIA SIA GAL NGA GAL SIA 0.675214 0.981132
10 GAL NGA SIA GAL BGC 0.663793 1
11 GAL NGA GAL BGC SIA 0.663793 1
12 BGC GAL SIA NGA GAL 0.663793 1
13 SIA GAL BGC NGA GAL 0.663793 1
14 SIA GAL 0.65625 0.961538
15 GAL BGC GAL SIA NGA SIA 0.641026 1
16 BGC GAL SIA SIA GAL NGA 0.641026 1
17 SIA GAL BGC 0.635514 0.961538
18 BGC GAL SIA 0.635514 0.961538
19 BGC SIA GAL 0.635514 0.961538
20 SIA GAL GLC 0.635514 0.961538
21 SIA BGC GAL 0.635514 0.961538
22 GAL BGC SIA 0.635514 0.961538
23 GLA GLC SIA 0.635514 0.961538
24 GAL NGA GAL SIA 0.619469 1
25 SIA GAL NGA GAL 0.619469 1
26 SIA GAL NAG 0.605505 1
27 NAG SIA GAL 0.605505 1
28 SIA 2FG 0.60396 0.892857
29 NGA GAL SIA 0.59633 1
30 SIA GAL A2G 0.59633 1
31 SIA 2FG NAG 0.589286 0.928571
32 SIA SIA GAL 0.587156 0.981132
33 NAG GAL NGC 0.582609 0.962264
34 SIA SIA GLA BGC 0.575 0.981132
35 BGC SIA SIA GAL 0.575 0.981132
36 SIA GAL NAG FUC 0.571429 1
37 NDG FUC SIA GAL 0.571429 1
38 FUC NDG GAL SIA 0.571429 1
39 NAG FUC SIA GAL 0.571429 1
40 SIA GLA NAG FUC 0.571429 1
41 SIA GAL NDG FUC 0.571429 1
42 MN0 GAL GLC 0.566372 0.924528
43 SIA SIA GAL NGA GAL 0.563492 0.981132
44 SIA GAL NAG GAL 0.558333 0.981132
45 GAL NAG SIA GAL 0.558333 0.981132
46 5N6 GAL 0.551402 0.962264
47 NGC MBG 0.54717 0.907407
48 SIA GAL NAG SIA 0.546219 0.981132
49 SIA GAL NGS 0.541667 0.8125
50 SIA NAG GAL GAL 0.537815 0.981132
51 SIA GAL NDG SIA 0.533333 0.945455
52 SIA GAL MAG FUC 0.532787 0.962264
53 SLT 0.530973 0.942308
54 NAG GAL SIA 0.525862 0.981132
55 SIA GAL NAG GAL BGC 0.523438 0.981132
56 BGC GAL NAG SIA GAL 0.523438 0.981132
57 SIA GAL NAG GAL GLC 0.523438 0.981132
58 BGC GAL CEQ SLB NGA GAL SIA SIA 0.521127 0.866667
59 GAL SIA 0.519231 0.943396
60 BGC GAL SIA NGA GAL SIA 0.518248 0.852459
61 SIA NAG GAL 0.508475 0.945455
62 4U2 0.504348 0.980769
63 4U0 0.504274 0.924528
64 SIA GLA NGS FUC 0.503817 0.8125
65 SIA CMO 0.5 0.87037
66 NGC GAL NGA POL AZI 0.496124 0.784615
67 SIA GAL SIA BGC NGA CEQ 0.493056 0.8
68 GAL TNR SIA 0.487805 0.962963
69 NAG AMU 0.480769 0.961538
70 NAG MUB 0.480769 0.961538
71 4U1 0.475 0.962264
72 BGC 18C GAL NGA SIA GAL 0.471338 0.83871
73 NAG GAL 0.458333 0.865385
74 NGA GAL 0.458333 0.865385
75 GAL NAG 0.458333 0.865385
76 SIA GAL BGC 16C 0.452055 0.83871
77 SIA SIA 0.449541 0.962264
78 SLB SIA 0.449541 0.962264
79 Z3Q GAL 5N6 0.44697 0.83871
80 BGC 18C GAL SIA 0.445946 0.83871
81 SIA SIA SIA SLB 0.445455 0.962264
82 SIA SIA SIA SIA SIA SIA SIA 0.445455 0.962264
83 SLB SIA SIA SIA SIA 0.445455 0.962264
84 SLB SIA SIA 0.445455 0.962264
85 MNA 0.443299 0.851852
86 SIA SIA SIA 0.438596 0.962264
87 NGA GAL BGC 0.436893 0.865385
88 SIA NAG 0.433628 0.910714
89 SIA WIA 0.433628 0.894737
90 MAN NAG 0.43299 0.865385
91 NAG GDL 0.424242 0.923077
92 CBS 0.424242 0.923077
93 CBS CBS 0.424242 0.923077
94 NAG NDG 0.424242 0.923077
95 CTO 0.421569 0.942308
96 NAG NAG NAG 0.421569 0.942308
97 NDG NAG NAG NDG 0.421569 0.942308
98 NDG NAG NAG 0.421569 0.942308
99 NAG NAG NAG NAG NDG NAG 0.421569 0.942308
100 NAG NAG NAG NAG NAG NAG 0.421569 0.942308
101 NAG NAG NAG NAG NDG 0.421569 0.942308
102 NAG NAG NDG 0.421569 0.942308
103 NAG NAG NAG NAG NAG 0.421569 0.942308
104 NAG NAG NAG NAG 0.421569 0.942308
105 NDG NAG NAG NDG NAG 0.421569 0.942308
106 NAG NAG NAG NAG NAG NAG NAG NAG 0.421569 0.942308
107 NAG NAG NAG NDG 0.421569 0.942308
108 NDG NAG NAG NAG 0.421569 0.942308
109 NAG AMU NAG AMV 0.421053 0.943396
110 FUC BGC GAL NAG 0.421053 0.884615
111 A2G THR ALA PRO GLY GLY NAG SIA 0.418182 0.764706
112 BGC FUC GAL FUC A2G 0.417391 0.903846
113 GLC FUC GAL FUC A2G 0.417391 0.903846
114 NAG NGA 0.41 0.923077
115 NAG A2G 0.41 0.923077
116 NAG GAL BGC 0.407407 0.865385
117 MAN MAN NAG 0.407407 0.867925
118 MBG A2G 0.405941 0.867925
119 A2G MBG 0.405941 0.867925
120 NGA GLA GAL BGC 0.401786 0.865385
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4U60; Ligand: SIA; Similar sites found: 127
This union binding pocket(no: 1) in the query (biounit: 4u60.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5KK4 44E 0.006367 0.41173 None
2 1DL5 SAH 0.01782 0.4177 1.42857
3 2Q1W NAD 0.03393 0.41337 1.42857
4 1WY7 SAH 0.02231 0.40996 1.44928
5 2ORV 4TA 0.04102 0.40454 1.7094
6 2RKV COA 0.02123 0.42358 2.14286
7 2RKV ZBA 0.02608 0.42183 2.14286
8 2ZXG S23 0.04992 0.40002 2.14286
9 1Z0J GTP 0.02904 0.40097 2.35294
10 2Y0E UGA 0.03058 0.40465 2.5
11 3PPM JG1 0.04459 0.40422 2.5
12 2ZEJ GDP 0.0463 0.4016 2.71739
13 2ZFN ACO 0.01749 0.42291 2.85714
14 4NCN GTP 0.02272 0.40556 2.85714
15 1H5Q NAP 0.04555 0.40015 3.01887
16 4ZA2 NAD 0.03681 0.40245 3.16206
17 3BIY 01K 0.009255 0.43642 3.21429
18 4J56 FAD 0.03686 0.4098 3.21429
19 2ED4 FAD 0.02984 0.41269 3.3557
20 4B0H DUR 0.03683 0.4319 3.47222
21 5LKT BCO 0.008113 0.4395 3.57143
22 2QZZ EMF 0.01829 0.43504 3.57143
23 2QZZ NAP 0.01761 0.43504 3.57143
24 3GPO APR 0.01993 0.41782 3.57143
25 1F52 ADP 0.01582 0.40707 3.57143
26 4HAT GNP 0.02527 0.40585 3.57143
27 4YBN FAD 0.0303 0.4057 3.57143
28 2V0C ANZ 0.03017 0.40125 3.57143
29 2B8T THM 0.02557 0.41466 3.58744
30 1W4R TTP 0.03176 0.41449 3.58974
31 5LW0 AR6 0.03229 0.40842 3.8961
32 4MFL MFK 0.0339 0.42532 3.92857
33 5L4S 6KX 0.0352 0.40977 3.92857
34 5L4S NAP 0.0352 0.40977 3.92857
35 4EO3 FMN 0.0223 0.40264 3.92857
36 4EIL FOL 0.02405 0.40076 3.92857
37 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 0.04085 0.40214 4.25532
38 4NOS ITU 0.005686 0.41763 4.28571
39 2RGO FAD 0.04066 0.40957 4.28571
40 5UWO GNP 0.02094 0.4091 4.28571
41 5UWI GNP 0.02187 0.40833 4.28571
42 5DI9 GNP 0.02365 0.40765 4.28571
43 5DIF GNP 0.02329 0.40721 4.28571
44 5UWU GNP 0.02418 0.40572 4.28571
45 5UWT GNP 0.02323 0.40568 4.28571
46 5UWH GNP 0.02557 0.40409 4.28571
47 5DHF GNP 0.02626 0.40362 4.28571
48 5UWP GNP 0.02802 0.40325 4.28571
49 5UWW GNP 0.02675 0.40217 4.28571
50 3KJD 78P 0.03568 0.40201 4.28571
51 5L53 NAP 0.0338 0.40125 4.28571
52 1VLH PNS 0.02031 0.40995 4.62428
53 4U9U FAD 0.0234 0.40076 4.62633
54 3T34 GDP 0.01602 0.41158 4.64286
55 1Z2I NAD 0.0337 0.40291 4.64286
56 1NF3 GNP 0.009345 0.42789 4.6875
57 1GRN GDP 0.0162 0.40993 4.71204
58 1NVU GTP 0.02097 0.40705 4.81928
59 1YZN GNP 0.01134 0.4221 4.86486
60 5JCZ GDP 0.004155 0.44679 5.02793
61 2AMT 1AA 0.02926 0.40001 5.03145
62 4C4P GNP 0.002513 0.46686 5.20231
63 2C5L GTP 0.01171 0.42228 5.20231
64 2HV8 GTP 0.003127 0.45988 5.23256
65 2WKQ GTP 0.01193 0.41739 5.35714
66 1MV8 GDX 0.0378 0.40603 5.35714
67 2D7C GTP 0.004306 0.45101 5.38922
68 1NVV GNP 0.01147 0.42021 5.42169
69 3DDC GNP 0.01277 0.41892 5.42169
70 4LHW GNP 0.01183 0.42103 5.74713
71 3SBD GNP 0.01113 0.41968 5.88235
72 1MH1 GNP 0.01389 0.42744 5.91398
73 3RWO GDP 0.004665 0.45352 5.94595
74 3B7G ANP 0.01275 0.40522 6.08696
75 3BC1 GNP 0.006254 0.43872 6.15385
76 3KUD GDP 0.02454 0.40034 6.17284
77 1BXK NAD 0.02545 0.40042 6.42857
78 1EK0 GNP 0.02192 0.41846 6.47059
79 4YC9 4C1 0.01172 0.4115 6.52174
80 1M7B GTP 0.03479 0.4016 6.52174
81 1NW4 IMH 0.01601 0.40123 6.52174
82 4KVG GTP 0.01264 0.41782 6.54762
83 1MI3 NAD 0.03612 0.40953 6.78571
84 2W9S TOP 0.01057 0.40776 6.8323
85 1KEW TYD 0.03245 0.4157 7.14286
86 1KEW NAD 0.03553 0.41386 7.14286
87 1O94 AMP 0.02232 0.40172 7.14286
88 3X1Z GNP 0.01553 0.41451 7.18563
89 3E5H GNP 0.01391 0.41776 7.30337
90 1V2G OCA 0.008705 0.41989 7.36842
91 3NKV GNP 0.006188 0.4361 7.42857
92 3GJX GTP 0.02235 0.40871 7.5
93 2ZFZ ARG 0.04787 0.41357 7.59494
94 1XXA ARG 0.01331 0.40538 7.69231
95 5SZH GNP 0.007975 0.43201 7.84314
96 1GUA GNP 0.01284 0.41876 8.38323
97 4OR7 25U 0.01769 0.40436 8.48485
98 2I4I AMP 0.019 0.41421 8.57143
99 1R6T TYM 0.0489 0.40661 9.28571
100 3JVH HHV 0.02158 0.42181 9.28962
101 4C8E C5P 0.01762 0.41809 9.34066
102 2Y8E GNP 0.04346 0.40126 9.49721
103 4HDQ GNP 0.01476 0.43195 9.58084
104 4HDO GNP 0.01489 0.41463 9.58084
105 1YZQ GNP 0.04408 0.40394 10
106 4XOI GTP 0.02402 0.40379 10.3704
107 3WYG GTP 0.0226 0.40883 10.4396
108 2W2X GSP 0.006224 0.43318 10.4839
109 3WYF GTP 0.01839 0.41408 10.5023
110 3M1I GTP 0.01894 0.41212 10.5023
111 3CX8 GSP 0.02726 0.4056 10.8374
112 5UWR GNP 0.02836 0.4012 11.1111
113 1ZC3 GNP 0.01614 0.42946 11.4286
114 1UAD GNP 0.02232 0.41753 11.4286
115 1RM6 FAD 0.02973 0.41877 11.8012
116 1BB6 UMG 0.02948 0.40435 12.4031
117 1VG8 GNP 0.01041 0.4237 12.5604
118 1IBR GNP 0.01453 0.41849 12.8571
119 1WA5 GTP 0.02591 0.40918 13.0682
120 4K81 GTP 0.02351 0.41882 13.5659
121 1OIX GDP 0.0005897 0.49901 13.6126
122 3BJK CIT 0.03327 0.41286 15.0327
123 1E96 GTP 0.0157 0.41528 15.2709
124 5HPY GDP 0.01181 0.42202 18.3784
125 1TX4 ALF GDP 0.007686 0.43721 19.209
126 1Z08 GNP 0.01151 0.42355 25.8824
127 5UWS GNP 0.02222 0.40905 40.9091
Pocket No.: 2; Query (leader) PDB : 4U60; Ligand: SIA GAL BGC NGA GAL; Similar sites found: 25
This union binding pocket(no: 2) in the query (biounit: 4u60.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BER AMP 0.008312 0.40944 4.01606
2 3T34 GDP 0.02181 0.40434 4.64286
3 1YZN GNP 0.02594 0.40485 4.86486
4 4C4P GNP 0.02303 0.40751 5.20231
5 2C5L GTP 0.03036 0.40133 5.20231
6 2D7C GTP 0.02562 0.40374 5.38922
7 1NVV GNP 0.02761 0.40345 5.42169
8 3SBD GNP 0.0297 0.40044 5.88235
9 1MH1 GNP 0.01963 0.41108 5.91398
10 3RWO GDP 0.0189 0.41051 5.94595
11 3B7G ANP 0.01256 0.40316 6.08696
12 3BC1 GNP 0.02747 0.40218 6.15385
13 4KVG GTP 0.02908 0.40091 6.54762
14 3X1Z GNP 0.02543 0.4053 7.18563
15 3E5H GNP 0.02633 0.40313 7.30337
16 3NKV GNP 0.02129 0.40786 7.42857
17 1GUA GNP 0.02547 0.40526 8.38323
18 2I4I AMP 0.009411 0.41563 8.57143
19 3JVH HHV 0.01984 0.41836 9.28962
20 4C8E C5P 0.01864 0.41081 9.34066
21 4HDO GNP 0.03046 0.40125 9.58084
22 1YZQ GNP 0.02419 0.40641 10
23 1UAD GNP 0.02055 0.40865 11.4286
24 1VG8 GNP 0.02061 0.40999 12.5604
25 1OIX GDP 0.01485 0.41585 13.6126
Pocket No.: 3; Query (leader) PDB : 4U60; Ligand: SIA GAL BGC NGA GAL; Similar sites found: 10
This union binding pocket(no: 3) in the query (biounit: 4u60.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1N2X SAM 0.03333 0.40041 2.14286
2 5EB4 FAD 0.01318 0.44055 3.21429
3 4J56 FAD 0.04438 0.41467 3.21429
4 3BIY 01K 0.01999 0.41205 3.21429
5 5LKT BCO 0.01808 0.41434 3.57143
6 1GPE FAD 0.03903 0.4186 4.64286
7 5JCZ GDP 0.02122 0.40419 5.02793
8 2HV8 GTP 0.01915 0.4145 5.23256
9 5SZH GNP 0.02511 0.4097 7.84314
10 4XOI GTP 0.0313 0.40185 10.3704
Pocket No.: 4; Query (leader) PDB : 4U60; Ligand: SIA GAL NGA; Similar sites found: 116
This union binding pocket(no: 4) in the query (biounit: 4u60.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5KK4 44E 0.008404 0.40553 None
2 2Q1W NAD 0.0394 0.40847 1.42857
3 1WY7 SAH 0.02697 0.40072 1.44928
4 1J09 GLU 0.01636 0.41702 1.78571
5 2RKV ZBA 0.02369 0.42238 2.14286
6 2RKV COA 0.02179 0.42159 2.14286
7 1Z0J GTP 0.02253 0.40734 2.35294
8 4M0R 644 0.0384 0.41809 2.5
9 2ZEJ GDP 0.04027 0.40529 2.71739
10 2ZFN ACO 0.01556 0.42428 2.85714
11 4RGQ NDP 0.04537 0.40359 2.85714
12 3WV1 WHH 0.03778 0.4145 2.92398
13 1H5Q NAP 0.04118 0.40199 3.01887
14 4ZA2 NAD 0.03393 0.40372 3.16206
15 3BIY 01K 0.003395 0.45977 3.21429
16 4J56 FAD 0.03014 0.41244 3.21429
17 4GLL NAD 0.04413 0.40805 3.21429
18 5KVA SAM 0.01886 0.41067 3.23741
19 2ED4 FAD 0.03459 0.40934 3.3557
20 4B0H DUR 0.02998 0.43865 3.47222
21 5LKT BCO 0.003353 0.46012 3.57143
22 2QZZ NAP 0.01754 0.43509 3.57143
23 2QZZ EMF 0.01822 0.43509 3.57143
24 1OC2 NAD 0.04491 0.41351 3.57143
25 1OC2 TDX 0.04491 0.41351 3.57143
26 1F52 ADP 0.01118 0.41349 3.57143
27 4YBN FAD 0.02647 0.40948 3.57143
28 3UZO GLU 0.03291 0.40176 3.57143
29 1S4M LUM 0.048 0.40033 3.57143
30 2B8T THM 0.03124 0.40893 3.58744
31 1W4R TTP 0.04247 0.40634 3.58974
32 5LW0 AR6 0.03351 0.40754 3.8961
33 4EIL FOL 0.02257 0.40313 3.92857
34 5L4S NAP 0.04742 0.4024 3.92857
35 5L4S 6KX 0.04742 0.4024 3.92857
36 4EO3 FMN 0.02263 0.40202 3.92857
37 4ZRN NAD 0.0427 0.4102 4.28571
38 2RGO FAD 0.0426 0.4079 4.28571
39 4NOS ITU 0.009947 0.40464 4.28571
40 5L53 NAP 0.03427 0.40102 4.28571
41 1VLH PNS 0.01689 0.41465 4.62428
42 3T34 GDP 0.01277 0.4166 4.64286
43 1Z2I NAD 0.02305 0.41251 4.64286
44 1NF3 GNP 0.007635 0.43265 4.6875
45 1GRN GDP 0.01436 0.41329 4.71204
46 1NVU GTP 0.02069 0.40681 4.81928
47 1YZN GNP 0.01217 0.41866 4.86486
48 1MUU GDX 0.03902 0.40332 5
49 5JCZ GDP 0.003477 0.45071 5.02793
50 4LX0 BEF GDP 0.04124 0.40508 5.08475
51 4C4P GNP 0.002005 0.47219 5.20231
52 2C5L GTP 0.02765 0.40405 5.20231
53 2HV8 GTP 0.002493 0.46558 5.23256
54 5WDR GNP 0.02544 0.40042 5.26316
55 2WKQ GTP 0.008725 0.42552 5.35714
56 1MV8 GDX 0.04042 0.40342 5.35714
57 2D7C GTP 0.003535 0.45584 5.38922
58 3DDC GNP 0.01151 0.42792 5.42169
59 1NVV GNP 0.01053 0.42324 5.42169
60 4LHW GNP 0.008007 0.42735 5.74713
61 3SBD GNP 0.00975 0.4231 5.88235
62 1WN3 HXC 0.03679 0.40342 5.88235
63 1MH1 GNP 0.01451 0.42571 5.91398
64 3RWO GDP 0.004496 0.45389 5.94595
65 3QFA FAD 0.04553 0.40596 6.03448
66 3B7G ANP 0.01304 0.40386 6.08696
67 3BC1 GNP 0.00487 0.44523 6.15385
68 3KUD GDP 0.01834 0.4071 6.17284
69 1EK0 GNP 0.02198 0.41858 6.47059
70 4YC9 4C1 0.01011 0.41573 6.52174
71 1NW4 IMH 0.01688 0.40004 6.52174
72 4KVG GTP 0.01246 0.41649 6.54762
73 1KAO GDP 0.01676 0.41073 6.58683
74 2UZH CDP 0.01969 0.40406 6.66667
75 2W9S TOP 0.009413 0.41107 6.8323
76 1KEW TYD 0.02791 0.42324 7.14286
77 3TNF GNP 0.01852 0.41449 7.14286
78 1KEW NAD 0.04136 0.4113 7.14286
79 1O94 AMP 0.01511 0.40969 7.14286
80 3X1Z GNP 0.01355 0.41947 7.18563
81 3E5H GNP 0.007565 0.4343 7.30337
82 1V2G OCA 0.01522 0.40729 7.36842
83 3NKV GNP 0.006696 0.43682 7.42857
84 4EU7 CIT 0.02598 0.42385 7.5
85 3GJX GTP 0.02 0.41235 7.5
86 2ZFZ ARG 0.04952 0.41153 7.59494
87 5SZH GNP 0.01311 0.41989 7.84314
88 3AFH GSU 0.02844 0.40088 7.85714
89 1LSH PLD 0.04921 0.40002 7.85714
90 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY 0.02321 0.40364 8.33333
91 1GUA GNP 0.01202 0.41971 8.38323
92 4OR7 25U 0.01488 0.40937 8.48485
93 1R6T TYM 0.04642 0.40854 9.28571
94 3JVH HHV 0.03651 0.40206 9.28962
95 4HDQ GNP 0.01399 0.43321 9.58084
96 4HDO GNP 0.01292 0.41755 9.58084
97 2FFQ GSP 0.01097 0.42345 9.94152
98 1YZQ GNP 0.006603 0.4379 10
99 1LFD GNP 0.02431 0.4109 10.3448
100 4XOI GTP 0.0193 0.41035 10.3704
101 2W2X GSP 0.004924 0.44023 10.4839
102 2UZI GTP 0.02884 0.40127 10.5263
103 3CX8 GSP 0.02731 0.40468 10.8374
104 1ZC3 GNP 0.01597 0.42951 11.4286
105 1UAD GNP 0.008669 0.42355 11.4286
106 1RM6 FAD 0.02228 0.42615 11.8012
107 1VG8 GNP 0.006188 0.43846 12.5604
108 4K81 GTP 0.02464 0.41715 13.5659
109 1OIX GDP 0.0005294 0.50201 13.6126
110 3BJK CIT 0.03056 0.41491 15.0327
111 1E96 GTP 0.01361 0.4196 15.2709
112 5IRC GDP 0.02386 0.40198 18.2796
113 5HPY GDP 0.01114 0.42346 18.3784
114 1CXZ GSP 0.01938 0.40962 18.6813
115 1TX4 ALF GDP 0.006973 0.43977 19.209
116 1Z08 GNP 0.01385 0.42015 25.8824
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