-->
Receptor
PDB id Resolution Class Description Source Keywords
5WHU 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF 3'SL BOUND ARTB SALMONELLA ENTERICA SUBSP. ENTERICA SETYPHIMURIUM STR. DT104 BACTERIAL TOXIN GLYCAN TOXIN
Ref.: EVOLUTION OF HOST ADAPTATION IN THE SALMONELLA TYPH TOXIN. NAT MICROBIOL V. 2 1592 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:205;
F:205;
B:205;
J:207;
A:208;
G:206;
D:205;
I:207;
A:206;
G:205;
F:207;
I:208;
H:211;
E:208;
J:208;
B:204;
H:210;
F:206;
B:203;
I:210;
C:205;
I:209;
A:207;
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;
submit data
35.453 Cl [Cl-]
PEG G:203;
A:204;
H:207;
B:202;
H:209;
F:202;
E:207;
J:206;
F:203;
H:208;
G:204;
F:204;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
SIA A:203;
Valid;
none;
submit data
309.27 C11 H19 N O9 CC(=O...
TRS H:212;
D:206;
Invalid;
Invalid;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
SIA GAL GLC D:202;
J:202;
I:203;
E:203;
C:202;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
632.545 n/a O=C(N...
SIA GAL A:201;
I:201;
E:201;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
454.405 n/a O=C(N...
SIA GLC GAL H:202;
Valid;
none;
submit data n/a n/a n/a n/a
CA I:206;
F:201;
G:202;
H:206;
H:205;
E:206;
J:205;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
MES J:201;
H:201;
D:201;
B:201;
C:201;
G:201;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WHU 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF 3'SL BOUND ARTB SALMONELLA ENTERICA SUBSP. ENTERICA SETYPHIMURIUM STR. DT104 BACTERIAL TOXIN GLYCAN TOXIN
Ref.: EVOLUTION OF HOST ADAPTATION IN THE SALMONELLA TYPH TOXIN. NAT MICROBIOL V. 2 1592 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5WHU - 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 1205 families.
1 5WHU - 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 1039 families.
1 5WHU - SIA C11 H19 N O9 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA; Similar ligands found: 47
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 NGE 0.754386 0.933333
7 MNA 0.629032 0.895833
8 79J 0.615385 0.934783
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 SIA SIA SIA SIA 0.558442 0.826923
15 SLB SIA SIA 0.558442 0.826923
16 FSI 0.515152 0.895833
17 6KL 0.5 0.807692
18 SFJ 0.5 0.875
19 MN0 0.485714 0.895833
20 EQP 0.470588 0.788462
21 AXP 0.470588 0.788462
22 GAL SIA 0.463415 0.86
23 SID 0.459459 0.82
24 SIA SIA SIA 0.453488 0.826923
25 MUS 0.449438 0.796296
26 NXD 0.447368 0.792453
27 SIA WIA 0.447059 0.767857
28 SIA 2FG 0.447059 0.796296
29 SLT 0.44086 0.877551
30 KDO 0.435484 0.704545
31 SIA GAL 0.435294 0.86
32 SIA NAG 0.430233 0.781818
33 4U0 0.427083 0.86
34 4U2 0.425532 0.843137
35 BND 0.416667 0.807692
36 SKD 0.414286 0.875
37 SIA SIA GAL 0.410526 0.811321
38 4U1 0.408163 0.826923
39 E3M 0.402778 0.606061
40 SIA GAL GLC 0.402062 0.86
41 BGC SIA GAL 0.402062 0.86
42 GAL BGC SIA 0.402062 0.86
43 BGC GAL SIA 0.402062 0.86
44 SIA GAL BGC 0.402062 0.86
45 GLA GLC SIA 0.402062 0.86
46 4AM 0.4 0.833333
47 DAN 0.4 0.911111
Ligand no: 2; Ligand: SIA GAL GLC; Similar ligands found: 93
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC SIA GAL 1 1
2 GLA GLC SIA 1 1
3 SIA GAL BGC 1 1
4 SIA GAL GLC 1 1
5 BGC GAL SIA 1 1
6 GAL BGC SIA 1 1
7 SIA SIA GLA BGC 0.861386 0.943396
8 BGC SIA SIA GAL 0.861386 0.943396
9 MN0 GAL GLC 0.852632 0.960784
10 BGC GAL SIA NGA GAL SIA 0.836538 0.961538
11 BGC GAL SIA SIA GAL NGA 0.836538 0.961538
12 NAG SIA GAL 0.831579 0.961538
13 SLT 0.829787 0.98
14 SIA SIA GAL NGA GAL 0.781818 0.943396
15 SIA GAL A2G 0.765306 0.961538
16 NGA GAL SIA 0.765306 0.961538
17 GAL NGA GAL BGC SIA 0.761468 0.961538
18 SIA GAL BGC NGA GAL 0.761468 0.961538
19 GAL NGA SIA GAL BGC 0.761468 0.961538
20 BGC GAL SIA NGA GAL 0.761468 0.961538
21 NAG GAL NGC 0.757282 0.961538
22 SIA GAL NAG 0.752475 0.909091
23 GAL SIA NGA GAL SIA 0.75 0.961538
24 GAL BGC SIA NGA 0.747664 0.961538
25 BGC GAL SIA NGA 0.747664 0.961538
26 SIA GAL BGC NGA 0.747664 0.961538
27 SIA GAL NGS 0.719626 0.757576
28 GAL SIA 0.717391 1
29 SIA GAL NAG GAL 0.698113 0.943396
30 SIA GAL NAG SIA 0.694444 0.943396
31 SIA GAL NDG FUC 0.690909 0.961538
32 FUC NDG GAL SIA 0.690909 0.961538
33 NDG FUC SIA GAL 0.690909 0.961538
34 NAG FUC SIA GAL 0.690909 0.961538
35 SIA GLA NAG FUC 0.690909 0.961538
36 SIA GAL NAG FUC 0.690909 0.961538
37 4U2 0.686275 0.942308
38 SIA GAL NDG SIA 0.678899 0.909091
39 GAL SIA NGA GAL 0.669725 0.961538
40 SIA GAL NGA GAL 0.669725 0.961538
41 SIA SIA GAL NGA GAL SIA 0.666667 0.943396
42 SIA GAL SIA GLC NGA 0.661157 0.943396
43 SIA GAL SIA BGC NGA 0.661157 0.943396
44 SIA GAL MAG FUC 0.660714 0.924528
45 SIA GAL NAG GAL GLC 0.65812 0.943396
46 SIA GAL NAG GAL BGC 0.65812 0.943396
47 BGC GAL NAG SIA GAL 0.65812 0.943396
48 SIA 2FG 0.642857 0.925926
49 SIA GAL NGA 0.635514 0.961538
50 4U0 0.635514 0.960784
51 SIA SIA GAL 0.622642 0.943396
52 SIA GLA NGS FUC 0.619835 0.757576
53 SIA GAL 0.616162 0.960784
54 NGC MBG 0.613861 0.942308
55 GAL NGA GAL SIA 0.610619 0.943396
56 SIA 2FG NAG 0.609091 0.892857
57 NGC GAL NGA POL AZI 0.6 0.78125
58 SIA GAL BGC 16C 0.598485 0.806452
59 NAG GAL SIA 0.585586 0.943396
60 BGC 18C GAL SIA 0.577778 0.806452
61 BGC GAL CEQ SLB NGA GAL SIA SIA 0.569343 0.806452
62 SIA NAG GAL 0.552632 0.909091
63 GAL NAG SIA GAL 0.55 0.943396
64 SIA NAG GAL GAL 0.542373 0.943396
65 4U1 0.530435 0.924528
66 GAL TNR SIA 0.512397 0.909091
67 SIA GAL SIA BGC NGA CEQ 0.496504 0.769231
68 BGC 18C GAL NGA SIA GAL 0.483871 0.806452
69 NAG GAL BGC 0.466019 0.9
70 LAT NAG GAL 0.462264 0.9
71 GLC GAL NAG GAL 0.462264 0.9
72 GAL NAG GAL GLC 0.457143 0.9
73 BGC GAL NAG GAL 0.457143 0.9
74 MNA 0.447917 0.849057
75 NGA GLA GAL BGC 0.444444 0.9
76 SIA SIA 0.440367 0.924528
77 GAL NGA GLA BGC GAL 0.440367 0.9
78 SLB SIA 0.440367 0.924528
79 SIA NAG 0.4375 0.875
80 SIA SIA SIA SIA SIA SIA SIA 0.436364 0.924528
81 SLB SIA SIA 0.436364 0.924528
82 SIA SIA SIA 0.429825 0.924528
83 NGA GAL BGC 0.413462 0.9
84 SIA WIA 0.412281 0.892857
85 FUC GAL NAG GAL BGC 0.40678 0.882353
86 GAL GLC NAG GAL FUC 0.40678 0.882353
87 GLC NAG GAL GAL FUC 0.40678 0.882353
88 GLC GAL NAG GAL FUC FUC 0.404959 0.901961
89 BGC GAL NAG GAL FUC FUC 0.404959 0.901961
90 MUS 0.403361 0.793103
91 GLA GAL GAL 0.402062 0.66
92 SLB 0.402062 0.86
93 SIA 0.402062 0.86
Ligand no: 3; Ligand: SIA GAL; Similar ligands found: 83
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA GAL 1 1
2 GAL SIA 0.714286 0.960784
3 SIA GAL NAG GAL 0.693878 0.943396
4 SIA 2FG 0.689655 0.890909
5 NAG SIA GAL 0.632653 0.924528
6 GAL NGA GAL SIA 0.631068 0.943396
7 SIA GAL NAG 0.63 0.909091
8 NGA GAL SIA 0.622449 0.924528
9 SIA GAL A2G 0.622449 0.924528
10 BGC SIA GAL 0.616162 0.960784
11 SIA GAL GLC 0.616162 0.960784
12 GAL BGC SIA 0.616162 0.960784
13 BGC GAL SIA 0.616162 0.960784
14 GLA GLC SIA 0.616162 0.960784
15 SIA GAL BGC 0.616162 0.960784
16 SIA 2FG NAG 0.613861 0.859649
17 SIA SIA GAL 0.612245 0.907407
18 SIA GAL NDG SIA 0.59434 0.909091
19 SIA GAL NGA 0.594059 0.924528
20 NGC MBG 0.585106 0.90566
21 NAG GAL NGC 0.575472 0.924528
22 SIA GAL NGS 0.574074 0.731343
23 SIA GAL NGA GAL 0.570093 0.924528
24 GAL SIA NGA GAL 0.570093 0.924528
25 GAL SIA NGA GAL SIA 0.570093 0.924528
26 SIA GAL NAG SIA 0.564815 0.943396
27 SIA GLA NAG FUC 0.54955 0.924528
28 SIA GAL NAG FUC 0.54955 0.924528
29 FUC NDG GAL SIA 0.54955 0.924528
30 NAG FUC SIA GAL 0.54955 0.924528
31 SIA GAL NDG FUC 0.54955 0.924528
32 NDG FUC SIA GAL 0.54955 0.924528
33 BGC SIA SIA GAL 0.539823 0.907407
34 SIA SIA GLA BGC 0.539823 0.907407
35 SIA NAG GAL 0.537736 0.909091
36 SIA GAL MAG FUC 0.535714 0.888889
37 SIA NAG 0.53125 0.909091
38 SIA GAL BGC NGA 0.530973 0.924528
39 GAL BGC SIA NGA 0.530973 0.924528
40 BGC GAL SIA NGA 0.530973 0.924528
41 BGC GAL SIA SIA GAL NGA 0.525862 0.924528
42 BGC GAL SIA NGA GAL SIA 0.525862 0.924528
43 MNA 0.52439 0.849057
44 GAL NGA GAL BGC SIA 0.521368 0.924528
45 SIA GAL BGC NGA GAL 0.521368 0.924528
46 BGC GAL SIA NGA GAL 0.521368 0.924528
47 GAL NGA SIA GAL BGC 0.521368 0.924528
48 4U2 0.519231 0.90566
49 NAG GAL SIA 0.514019 0.943396
50 MN0 GAL GLC 0.514019 0.923077
51 GAL TNR SIA 0.508929 0.909091
52 NGC GAL NGA POL AZI 0.508475 0.753846
53 SIA SIA GAL NGA GAL SIA 0.508333 0.907407
54 SLT 0.504762 0.941176
55 SIA SIA GAL NGA GAL 0.504132 0.907407
56 SIA GLA NGS FUC 0.504132 0.731343
57 SIA SIA 0.489583 0.888889
58 SLB SIA 0.489583 0.888889
59 SIA NAG GAL GAL 0.486726 0.943396
60 SLB SIA SIA 0.484536 0.888889
61 SIA SIA SIA SIA SIA SIA SIA 0.484536 0.888889
62 SIA GAL SIA GLC NGA 0.472441 0.907407
63 SIA GAL SIA BGC NGA 0.472441 0.907407
64 GAL NAG SIA GAL 0.470085 0.943396
65 SIA SIA SIA 0.460784 0.888889
66 4U1 0.459459 0.924528
67 4U0 0.45045 0.960784
68 SIA GAL BGC 16C 0.448529 0.806452
69 BGC 18C GAL SIA 0.442029 0.806452
70 SIA WIA 0.441176 0.892857
71 SIA GAL NAG GAL GLC 0.44 0.943396
72 BGC GAL NAG SIA GAL 0.44 0.943396
73 SIA GAL NAG GAL BGC 0.44 0.943396
74 SLB 0.435294 0.86
75 SIA 0.435294 0.86
76 CNP 0.428571 0.796296
77 BGC GAL CEQ SLB NGA GAL SIA SIA 0.425532 0.777778
78 MN0 0.422222 0.849057
79 SIA GAL SIA BGC NGA CEQ 0.41844 0.769231
80 MUS 0.416667 0.793103
81 NXD 0.410526 0.789474
82 SID 0.404255 0.781818
83 BND 0.401961 0.803571
Ligand no: 4; Ligand: SIA GLC GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5WHU; Ligand: SIA; Similar sites found with APoc: 120
This union binding pocket(no: 1) in the query (biounit: 5whu.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1S7G NAD None
2 1S7G APR None
3 1OVD FMN None
4 1OVD ORO None
5 2ZMF CMP None
6 1GSA GSH None
7 4KM2 ATR 1.34228
8 4KM2 TOP 1.34228
9 4ONQ SFG 1.34228
10 2CIG 1DG 1.34228
11 1QSM ACO 1.34228
12 1XDY MTE 1.34228
13 3K8D KDO 1.51515
14 4CM4 NAP 2.01342
15 3BMN NAP 2.01342
16 5XFV FMN 2.68456
17 2YBQ SAH 2.68456
18 1YC5 NCA 2.68456
19 4BUZ OAD 2.68456
20 4BUZ NAD 2.68456
21 4BUZ OCZ 2.68456
22 1PVN MZP 2.68456
23 3EEL 53T 2.68456
24 3AFN NAP 2.68456
25 3O61 GDD 3.3557
26 6EQS BV8 3.3557
27 3NRR NAP 3.3557
28 4ZFL 4NK 3.3557
29 3RIY NAD 3.3557
30 3NRR D16 3.3557
31 1ON3 MCA 3.3557
32 4YMZ 13P 3.3557
33 5BUK FAD 3.3557
34 3ND6 ATP 3.3557
35 2FFU UDP 3.3557
36 1JG3 ADN 3.3557
37 1S1D GP2 3.3557
38 3DUV KDO 3.43511
39 1N1D C2G 3.87597
40 3WCA FPS 4.02685
41 2CER PGI 4.02685
42 3VKX T3 4.02685
43 1ZPD DPX 4.02685
44 2QXX TTP 4.02685
45 2VK4 TPP 4.02685
46 4XYB NDP 4.02685
47 2HXW FLC 4.02685
48 5ZM4 9FU 4.02685
49 6DQU GLY ILE ILE ASN THR LEU 4.02685
50 2JAH NDP 4.04858
51 1QPB PYM 4.69799
52 1VPE ANP 4.69799
53 5ZCT ANP 4.69799
54 1QPB TPP 4.69799
55 4P8K 38C 4.69799
56 4P8K FAD 4.69799
57 3O7B SAH 4.69799
58 2WKV COA 4.69799
59 3N6M GTP 4.69799
60 5K0A FAD 5.36913
61 4UP3 NDP 5.36913
62 5Y4R C2E 5.36913
63 5EK3 5PK 5.36913
64 1LYX PGA 6.04027
65 4KVX ACO 6.04027
66 4H4D 10E 6.04027
67 4B98 PXG 6.04027
68 2ORV 4TA 6.04027
69 3E1T FAD 6.04027
70 1W4R TTP 6.04027
71 4NSQ COA 6.04027
72 5GVH FMN 6.04027
73 2BHZ MAL 6.71141
74 1JG9 GLC 6.71141
75 4IGH 1EA 6.71141
76 4IGH ORO 6.71141
77 4IGH FMN 6.71141
78 1SAY PYR 6.71141
79 6APV 3L4 6.71141
80 3VPC ADP 6.71141
81 3ZY6 GFB 6.71141
82 1L5J TRA 7.38255
83 5KXQ GDP 7.38255
84 5UXH GFB 7.38255
85 3C3N FMN 7.38255
86 4R84 CSF 7.38255
87 3IP8 B85 7.38255
88 2VBF TPP 7.38255
89 4M3P HCS 8.05369
90 2GCG NDP 8.05369
91 1C96 FLC 8.05369
92 2E2P ADP 8.05369
93 5GMD AGS 8.72483
94 1PJS SAH 8.72483
95 2C6Q NDP 9.39597
96 2C6Q IMP 9.39597
97 6F5W KG1 9.39597
98 3NUB UD0 9.39597
99 2PQ9 GG9 9.39597
100 4POW OP1 10.0671
101 1D09 PAL 10.0671
102 1SZD APR 10.7383
103 4GID 0GH 10.7383
104 1FLJ GSH 10.7383
105 1QSC ACE TYR PRO ILE GLN GLU THR 10.7383
106 4ORM 2V6 11.4094
107 4ORM FMN 11.4094
108 4ORM ORO 11.4094
109 4KWI NAP 11.4094
110 4MXP DB4 11.4094
111 5J5Z FAD 11.4094
112 5EXE 5SR 12.0805
113 2AEB ABH 13.4228
114 2JFN GLU 13.4228
115 3V66 D3A 14.094
116 1HV9 UD1 14.7651
117 3X0V FAD 14.7651
118 6FDF SAH 15.4362
119 1Z82 G3H 24.1611
120 1Z82 G3P 24.1611
Pocket No.: 2; Query (leader) PDB : 5WHU; Ligand: SIA GAL GLC; Similar sites found with APoc: 142
This union binding pocket(no: 2) in the query (biounit: 5whu.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1OVD ORO None
2 1OVD FMN None
3 1SIV PSI None
4 1S17 GNR None
5 1S7G APR None
6 1S7G NAD None
7 2FXD DR7 None
8 3ABI NAD 0.821918
9 1XDY MTE 1.34228
10 3ZG6 APR 1.34228
11 4URF 1PS 1.34228
12 5LOG SAH 1.34228
13 3K8D KDO 1.51515
14 1VPV PLM 2.01342
15 4WOP CTP 2.22222
16 1NVM NAD 2.68456
17 5XFV FMN 2.68456
18 4NNB OAA 2.68456
19 3AFN NAP 2.68456
20 1PVN MZP 2.68456
21 3EEL 53T 2.68456
22 4BUZ OCZ 2.68456
23 4BUZ OAD 2.68456
24 4BUZ NAD 2.68456
25 4LAE 1VM 2.68456
26 4LAE NAP 2.68456
27 6BFN DL1 2.68456
28 2YBQ SAH 2.68456
29 4R6W PC 3.3557
30 6EQS BV8 3.3557
31 3O61 GDD 3.3557
32 1H82 FAD 3.3557
33 5J60 FAD 3.3557
34 1H82 GZZ 3.3557
35 4M7V NAP 3.3557
36 1ON3 MCA 3.3557
37 3ND6 ATP 3.3557
38 3DUV KDO 3.43511
39 1N1D C2G 3.87597
40 1OZH HE3 4.02685
41 3ICT COA 4.02685
42 3WCA FPS 4.02685
43 3ICS COA 4.02685
44 5YJF 8WO 4.02685
45 5YJF SAH 4.02685
46 3KB6 NAD 4.02685
47 2NAD NAD 4.02685
48 2HXW FLC 4.02685
49 1ZPD DPX 4.02685
50 3HDY FDA 4.69799
51 1QPB PYM 4.69799
52 1QPB TPP 4.69799
53 5AHS COA 4.69799
54 4PJ3 ANP 4.69799
55 5ZCT ANP 4.69799
56 5AHS FAD 4.69799
57 3ZM6 2GN 4.69799
58 3C3Y SAH 4.69799
59 3JYN NDP 4.69799
60 1VPE ANP 4.69799
61 3HDY FAD 4.69799
62 3HDY GDU 4.69799
63 1V59 NAD 4.69799
64 1FUT 2GP 4.71698
65 2ZSH GA3 5.12821
66 4MO2 FAD 5.36913
67 4MO2 FDA 5.36913
68 4UP3 NDP 5.36913
69 5Y4R C2E 5.36913
70 3ZNN FAD 5.36913
71 3ZNN 4WL 5.36913
72 4NW6 2NS 5.36913
73 5F33 PGH 5.36913
74 4ZCC FAD 5.36913
75 5EIN NAP 5.55556
76 4XVX P6G FDA 6.04027
77 3RUV ANP 6.04027
78 4H4D 10E 6.04027
79 1Y3A GDP 6.04027
80 1W4R TTP 6.04027
81 2RAB FAD 6.04027
82 2ORV 4TA 6.04027
83 1TDF FAD 6.71141
84 2BHZ MAL 6.71141
85 2IHT TPP 6.71141
86 3UC5 ATP 6.71141
87 3VPC ADP 6.71141
88 3ZY6 GFB 6.71141
89 5WS9 AMP 6.71141
90 1POC GEL 6.71642
91 2BMZ XLM 7.0922
92 3QV1 NAD 7.31707
93 3COW 52H 7.38255
94 2VBF TPP 7.38255
95 3HAZ NAD 7.38255
96 1L5J TRA 7.38255
97 1B8O IMH 7.38255
98 5UXH GFB 7.38255
99 2Q4H AMP 7.38255
100 3C3N FMN 7.38255
101 4PQG NAG 7.38255
102 5MZY 8EZ 8.05369
103 1KY8 NAP 8.05369
104 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY 8.05369
105 4M3P HCS 8.05369
106 5XK9 DMA 8.05369
107 1HYH NAD 8.05369
108 2ZCQ B65 8.72483
109 3E7J NAG GCU NAG GCD 8.72483
110 3JDW ORN 8.72483
111 1AJ8 CIT 8.72483
112 4CSD MFU 8.72483
113 2C6Q NDP 9.39597
114 2C6Q IMP 9.39597
115 6F5W KG1 9.39597
116 5ZI2 ADP 9.39597
117 4EVQ PHB 9.39597
118 4L50 D8X 9.3985
119 1J3I NDP 10.0671
120 1JCM 137 10.0671
121 4DP3 MMV 10.0671
122 3PT9 SAH 10.0671
123 1FLJ GSH 10.7383
124 5K4W THR 10.7383
125 1QSC ACE TYR PRO ILE GLN GLU THR 10.7383
126 3QWB NDP 10.7383
127 3QKD HI0 11.0497
128 4MXP DB4 11.4094
129 4KWI NAP 11.4094
130 1IY8 NAD 11.4094
131 2JFN GLU 13.4228
132 2HNK SAH 13.4228
133 1RNT 2GP 13.4615
134 3V66 D3A 14.094
135 2F1K NAP 14.7651
136 3ZW2 NAG GAL FUC 14.9425
137 3ZW2 GAL FUC 14.9425
138 1RDS GPC 20
139 1Z82 G3H 24.1611
140 1Z82 G3P 24.1611
141 4RPL FAD 24.8322
142 4RPL 3UC 24.8322
Pocket No.: 3; Query (leader) PDB : 5WHU; Ligand: SIA GAL; Similar sites found with APoc: 77
This union binding pocket(no: 3) in the query (biounit: 5whu.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 6CEN SAM None
2 1Q3P GLU ALA GLN THR ARG LEU None
3 1G51 AMO None
4 3S2Y FMN 1.00503
5 3B6O TMP 1.21457
6 1QSM ACO 1.34228
7 2CIG 1DG 1.34228
8 6F8B CXH 2.01342
9 3CTL S6P 2.01342
10 2JAR UMP 2.01342
11 6BOX SAH 2.68456
12 4MFL MFK 2.68456
13 1KQR MNA 3.3557
14 4HCX NDP 3.3557
15 1GS5 ANP 3.3557
16 1GS5 NLG 3.3557
17 5XVG 8FX 3.3557
18 5OKT 9XK 3.3557
19 4DYG NAG NAG NAG NAG 3.3557
20 6A5K SAM 4.02685
21 5KIQ SIA GAL NAG FUC 4.02685
22 6A46 DCM 4.02685
23 1YKI FMN 4.02685
24 2Z3U CRR 4.02685
25 1W0H AMP 4.02685
26 2JAH NDP 4.04858
27 4NVQ SAH 4.5614
28 2BL9 NDP 4.62185
29 2BL9 CP6 4.62185
30 5T0K SAM 4.62633
31 3KJS NAP 4.69799
32 1C7O PPG 4.69799
33 2W5Z SAH 4.69799
34 5JIY SAM 4.74453
35 2IDO TMP 5.36913
36 3HNA SAH 5.36913
37 4YNM SAM 5.36913
38 2RFI SAH 5.36913
39 1J54 TMP 5.36913
40 3SWC SAH 5.36913
41 4CS4 ANP 5.36913
42 4CS4 AXZ 5.36913
43 2PI8 NAG NAG NAG NAG NAG NAG 5.36913
44 2Z5Y HRM 6.04027
45 5IE3 OXD 6.71141
46 5IE3 AMP 6.71141
47 1WLJ U5P 6.71141
48 3OYZ ACO 7.38255
49 2B7D C1B 7.38255
50 3AHO 3A2 8.05369
51 3L8G GMB 8.05369
52 5JLB SAH 8.05369
53 4FMU 0UM 8.05369
54 5V22 SAH 8.05369
55 4CA5 3EF 8.72483
56 4U03 TLL 9.39597
57 2R3A SAM 9.39597
58 2O3Z AI7 9.39597
59 2D4V NAD 9.39597
60 3A5Y KAA 10.0671
61 5HQ8 SAH 10.0671
62 1J3I WRA 10.0671
63 3A5Z KAA 10.0671
64 5IVE 6E8 10.7383
65 2RDG NDG FUC SIA GAL 10.7383
66 1I1N SAH 11.4094
67 2RFZ CTR 12.0805
68 4J4H 1J1 12.0805
69 4J4H NAI 12.0805
70 2ART LPA AMP 14.7651
71 2QFY AKG 18.7919
72 3R4S SLB 20.1342
73 3DWQ NGC GAL NGA POL AZI 36.5079
74 5WHT SIA GAL 43.4783
75 5WHT SIA GAL GLC 43.4783
76 5WHT SIA 43.4783
77 4RHS SIA SIA GAL 49.1803
Pocket No.: 4; Query (leader) PDB : 5WHU; Ligand: SIA GAL GLC; Similar sites found with APoc: 79
This union binding pocket(no: 4) in the query (biounit: 5whu.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1WG8 SAM None
2 6HOY TSN 1.34228
3 1T0I FMN 1.34228
4 4XJ7 ADN 1.34228
5 6BYM HC3 2.01342
6 1UPF URF 2.01342
7 4CLO NAP 2.01342
8 4KOT CE3 2.68456
9 2F59 INI 2.68456
10 2B4R NAD 2.68456
11 4XDY NAI 2.68456
12 1LBF 137 2.68456
13 2BSA FAD 3.3557
14 2BSA NAP 3.3557
15 4QC6 30N 3.3557
16 5FJN FAD 3.3557
17 6GBC AMP 3.3557
18 3D2M COA 3.3557
19 1J0D 5PA 3.3557
20 5UY8 AMZ 3.3557
21 6DQU GLY ILE ILE ASN THR LEU 4.02685
22 4XYB NDP 4.02685
23 2CER PGI 4.02685
24 4IY7 KOU 4.02685
25 4HA6 FAD 4.02685
26 2VK4 TPP 4.02685
27 4IY7 0JO 4.02685
28 3VKX T3 4.02685
29 4IYO 0JO 4.02685
30 4P8K 38C 4.69799
31 4P8K FAD 4.69799
32 4BUY F37 4.69799
33 3KP6 SAL 4.69799
34 1DEK DGP 4.69799
35 3KJS DQ1 4.69799
36 6BSW CE6 4.69799
37 4M8X KGQ 5.05051
38 3D91 REM 5.36913
39 3L2B B4P 5.36913
40 2VYN NAD 5.36913
41 5KVA SAM 5.36913
42 5EK3 5PK 5.36913
43 2ZHL NAG GAL GAL NAG 5.40541
44 6HDT BTN 6.01504
45 4B98 PXG 6.04027
46 2NYA MGD 6.04027
47 4MKF AP5 6.04027
48 2X3F APC 6.04027
49 5M3Z NLE 6.71141
50 5M3Z PY6 6.71141
51 5M3Z PLP 6.71141
52 2IV2 2MD 6.71141
53 2B56 UTP 7.38255
54 2B56 U5P 7.38255
55 2IHU TP9 7.38255
56 5X2Z 3LM 8.05369
57 5X30 4LM 8.05369
58 4L1F FAD 8.05369
59 5X30 7XF 8.05369
60 5EFQ ADP 8.05369
61 6BII NAP 8.72483
62 1GA8 DEL 9.39597
63 1GET NAP 9.39597
64 1GET FAD 9.39597
65 5X8G S0N 9.39597
66 3KH5 ADP 10.0671
67 3KH5 AMP 10.0671
68 2UUU PL3 11.4094
69 2UUU FAD 11.4094
70 4KWI 1TJ 11.4094
71 3D78 NBB 12.605
72 1OFZ FUC 13.4228
73 2AEB ABH 13.4228
74 2BS5 BGC GAL FUC 14.4444
75 6F7X MFU 14.4444
76 3ZW2 GLA NAG GAL FUC 14.9425
77 4Z87 5GP 16.1074
78 1LUA NAP 16.7785
79 4YNU FAD 24.1611
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