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Receptor
PDB id Resolution Class Description Source Keywords
5WHT 1.93 Å NON-ENZYME: TOXIN_VIRAL CRYSTAL STRUCTURE OF 3'SL BOUND PLTB SALMONELLA TYPHI 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
PEG E:202;
B:205;
E:203;
D:204;
E:204;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
ACT D:203;
B:202;
E:201;
D:202;
A:204;
B:203;
C:203;
B:204;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
SIA D:201;
B:201;
Valid;
Valid;
none;
none;
submit data
309.27 C11 H19 N O9 CC(=O...
SIA GAL C:201;
Valid;
none;
submit data
454.405 n/a O=C(N...
SIA GAL GLC A:201;
Valid;
none;
submit data
632.545 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WHT 1.93 Å NON-ENZYME: TOXIN_VIRAL CRYSTAL STRUCTURE OF 3'SL BOUND PLTB SALMONELLA TYPHI 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 62 families.
1 5WHT - SIA C11 H19 N O9 CC(=O)N[C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 4RHS - SIA SIA GAL n/a n/a
2 5WHT - SIA C11 H19 N O9 CC(=O)N[C@....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 3DWP - NGC C11 H19 N O10 C1[C@@H]([....
2 3DWQ Ki ~ 2 mM NGC GAL NGA POL AZI n/a n/a
3 4RHS - SIA SIA GAL n/a n/a
4 5WHT - 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; 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: 3; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5WHT; Ligand: SIA; Similar sites found with APoc: 168
This union binding pocket(no: 1) in the query (biounit: 5wht.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2PN6 GLN None
2 3KV8 FAH None
3 3EM0 CHD None
4 2RIF AMP None
5 1FKB RAP None
6 2XQQ SAC ARG GLY THR GLN THR GLU None
7 1O44 852 None
8 4FOU C2E None
9 4JWH SAH None
10 5T52 A2G None
11 2HSA FMN None
12 2P3C 3TL None
13 1JYQ MAZ PTR PTM ASN 2.08333
14 1XOC VAL ASP SER LYS ASN THR SER SER TRP 2.17391
15 4B0T ADP 2.17391
16 5CCM 4ZX 2.17391
17 5CCM SAM 2.17391
18 2ZD8 MER 2.17391
19 5JFT ACE ASP GLU VAL ASP 0QE 2.17391
20 5ACM MBT 2.7027
21 2P3I MNA 2.89855
22 3TAY MN0 2.89855
23 2YJP CYS 2.89855
24 2XNJ NAP 2.89855
25 3AHO 3A2 2.89855
26 6CEN ACE GLY VAL NLE ARG ILE NH2 2.89855
27 2Q3O FMN 2.89855
28 3FP0 FP0 2.89855
29 3O5N BR0 3.57143
30 1B7H LYS NLE LYS 3.62319
31 2ART LPA AMP 3.62319
32 4MO2 FAD 3.62319
33 2CXG GLC G6D ACI GLC 3.62319
34 2PZM NAD 3.62319
35 2PZM UDP 3.62319
36 4MO2 FDA 3.62319
37 2Z3U CRR 3.62319
38 4RPL 3UC 3.62319
39 2BII MTV 3.62319
40 4RPL FAD 3.62319
41 4OKE AMP 3.62319
42 1I8T FAD 3.62319
43 4Z87 GDP 4.34783
44 1G51 AMO 4.34783
45 4O6W ACE PRO LEU 2SO SER TPO NH2 4.34783
46 5LFV SIA GAL NAG 4.34783
47 4GAH 0ET 4.34783
48 4K30 NLG 4.34783
49 2E5A LAQ 4.34783
50 5L44 K26 4.34783
51 5KIQ SIA GAL NAG FUC 4.34783
52 4MSG 2C6 4.34783
53 1TLL FMN 4.34783
54 4E1O PLP PVH 4.34783
55 6F8B CXH 4.34783
56 1I1E DM2 4.34783
57 4U9U FAD 4.34783
58 1XDY MTE 4.34783
59 1TLL FAD 4.34783
60 5IUC SIA GAL A2G 4.72441
61 4CS4 ANP 5.07246
62 4CS4 AXZ 5.07246
63 5OGX FAD 5.07246
64 3HAZ FAD 5.07246
65 2FGE ALA ALA LEU THR ARG ALA 5.07246
66 1J54 TMP 5.07246
67 6CDZ UMP 5.07246
68 4ONT SIA GAL BGC 5.42636
69 4BXK 1IU 5.7971
70 1X54 4AD 5.7971
71 6EK3 OUL 5.7971
72 2XTS MTE 5.7971
73 1ZB6 DIN 5.7971
74 4Y9J FAD 5.7971
75 4EIL UMP 5.7971
76 3NEM AMO 5.7971
77 4NVQ 2OD 5.7971
78 5KJK 6T1 5.7971
79 5KJK SAM 5.7971
80 5GJH SER ASP PTR MET ASN MET THR PRO 6
81 1T36 ORN 6.52174
82 1B7Y FYA 6.52174
83 1KRP DT DT PST 6.52174
84 4DQL NAP 6.52174
85 4DQL FAD 6.52174
86 1SM4 FAD 6.52174
87 5FLJ QUE 6.52174
88 1GAW FAD 6.52174
89 5VW2 NAP 6.52174
90 5VW2 FDA 6.52174
91 2BSA FAD 6.52174
92 2BSA NAP 6.52174
93 2VNF ALA ARG THR M3L GLN THR ALA ARG LYS SER 6.66667
94 4M5S GLY GLU ARG THR ILE PRO ILE THR ARG GLU 6.89655
95 1R1Q ACE ARG GLU PTR VAL ASN VAL 7
96 3HDY FAD 7.24638
97 3HDY GDU 7.24638
98 3HDY FDA 7.24638
99 4TWP AXI 7.24638
100 1B4P GPS 7.24638
101 3QFS FAD 7.24638
102 1KAP GLY SER ASN SER 7.24638
103 3GFZ C2E 7.24638
104 5YLT SFG 7.24638
105 5YLT C7N 7.24638
106 5FA6 FMN 7.24638
107 5FA6 NAP 7.24638
108 5FA6 FAD 7.24638
109 5N5U 7N8 7.24638
110 5N5U AMP 7.24638
111 4U03 GTP 7.97101
112 4U03 TLL 7.97101
113 5MRH Q9Z 7.97101
114 1WA5 GTP 7.97101
115 1SOX MTE 7.97101
116 5BSR AMP 7.97101
117 4MO4 ACP 7.97101
118 2GC0 PAN 7.97101
119 6DQU GLY ILE ILE ASN THR LEU 7.97101
120 2AAZ UMP 7.97101
121 3F5A SIA GAL NAG 8.69565
122 1JS3 PLP 142 8.69565
123 3ZXR IQ1 8.69565
124 3ZXR P3S 8.69565
125 5IVE 6E8 8.69565
126 4Z3X 4KX 8.69565
127 4Z3X MTE 8.69565
128 2BVE PH5 9.2437
129 2XGT NSS 9.42029
130 1W6U HXC 9.42029
131 1U7Z PMT 9.42029
132 5N9X 8QN 9.42029
133 2E1T MLC 9.42029
134 5LXT GTP 10.1449
135 4CA5 3EF 10.1449
136 2GTE VA 10.4839
137 4ZEI LAO 10.8696
138 4LO6 SIA GAL 10.8696
139 5LRT ADP 10.8696
140 4PJT 2YQ 10.8696
141 4Z5W TYS ILE TYS THR GLN 10.8696
142 5U98 1KX 11.1111
143 4DS0 A2G GAL NAG FUC 11.5942
144 1RZX ACE VAL LYS GLU SER LEU VAL 12.2449
145 5NWD 9C8 12.3188
146 4BUY F37 12.3188
147 4LRL TTP 12.3188
148 3MHP FAD 12.3188
149 1QFY NAP 12.3188
150 1QFY FAD 12.3188
151 2RDG NDG FUC SIA GAL 13.0435
152 3A5Y KAA 13.7681
153 3A5Z KAA 13.7681
154 4F07 FAD 13.7681
155 5LYH 7B8 13.7681
156 2A9D MTE 14.4928
157 5HI5 63Q 14.4928
158 1XT8 CYS 15.942
159 3TCT 3MI 17.3228
160 2IDO TMP 18.0723
161 4FAJ LEU VAL THR LEU VAL PHE VAL 18.1159
162 5TUZ SAM 19.5652
163 5TUZ 7L6 19.5652
164 4L4V 1VY 20.2899
165 1QD0 RR6 20.3125
166 1QR0 COA 23.1884
167 4OFJ HIS 23.913
168 5WHU SIA GAL 43.4783
Pocket No.: 2; Query (leader) PDB : 5WHT; Ligand: SIA GAL; Similar sites found with APoc: 184
This union binding pocket(no: 2) in the query (biounit: 5wht.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1FKB RAP None
2 5NIU 8YZ None
3 2P3C 3TL None
4 1PZO CBT None
5 3EM0 CHD None
6 2J9C ATP None
7 6C8X BVR None
8 2P3B 3TL None
9 1RLJ FMN None
10 2XQQ SAC ARG GLY THR GLN THR GLU None
11 2HSA FMN None
12 3KV8 FAH None
13 2RIF AMP None
14 3NCQ ATP 1.68067
15 3TA2 AKG 1.69492
16 3TA2 ATP 1.69492
17 4P9Z NMI PTR 02K ASN NH2 1.7094
18 1JYQ MAZ PTR PTM ASN 2.08333
19 1XOC VAL ASP SER LYS ASN THR SER SER TRP 2.17391
20 5CCM SAM 2.17391
21 5CCM 4ZX 2.17391
22 4B0T ADP 2.17391
23 5ACM MBT 2.7027
24 2P3I MNA 2.89855
25 3TAY MN0 2.89855
26 2YJP CYS 2.89855
27 3AHO 3A2 2.89855
28 6CEN ACE GLY VAL NLE ARG ILE NH2 2.89855
29 2Q3O FMN 2.89855
30 5OVV ACE ILE GLU SER THR GLU ILE 3.25203
31 1B7H LYS NLE LYS 3.62319
32 2BII MTV 3.62319
33 1FND A2P 3.62319
34 1FND FAD 3.62319
35 2CXG GLC G6D ACI GLC 3.62319
36 2ART LPA AMP 3.62319
37 2Z3U CRR 3.62319
38 4MO2 FDA 3.62319
39 4MO2 FAD 3.62319
40 1G51 AMO 4.34783
41 6F8B CXH 4.34783
42 5LFV SIA GAL NAG 4.34783
43 1I1E DM2 4.34783
44 3VO1 FAD 4.34783
45 4Z87 GDP 4.34783
46 5JCA FAD 4.34783
47 5GXU FAD 4.34783
48 4MSG 2C6 4.34783
49 4O6W ACE PRO LEU 2SO SER TPO NH2 4.34783
50 4GAH 0ET 4.34783
51 5N2D 8J8 4.34783
52 3C88 ARG ARG GLY CYS NH2 4.34783
53 1TLL FAD 4.34783
54 4U9U FAD 4.34783
55 2OFD NGA 4.34783
56 4K30 NLG 4.34783
57 5XWV 8H6 4.34783
58 5L44 K26 4.34783
59 3OJF IMJ 4.34783
60 4CS4 ANP 5.07246
61 4CS4 AXZ 5.07246
62 5OGX FAD 5.07246
63 1AIQ UMP 5.07246
64 4BMO FMN 5.07246
65 2FGE ALA ALA LEU THR ARG ALA 5.07246
66 1TLC DGP 5.07246
67 1JG0 UMP 5.07246
68 1SYN UMP 5.07246
69 1NCE UMP 5.07246
70 1TSD UMP 5.07246
71 1AXW UMP 5.07246
72 2QTZ FAD 5.07246
73 2QTZ NAP 5.07246
74 1ZPR UMP 5.07246
75 1J54 TMP 5.07246
76 4ONT SIA GAL BGC 5.42636
77 4BXK 1IU 5.7971
78 1X54 4AD 5.7971
79 2XTS MTE 5.7971
80 5F1R 42O 5.7971
81 3NEM AMO 5.7971
82 6EK3 OUL 5.7971
83 5KJK SAM 5.7971
84 5KJK 6T1 5.7971
85 4USI ATP 5.7971
86 1RY2 AMP 5.7971
87 4NVQ 2OD 5.7971
88 5GJH SER ASP PTR MET ASN MET THR PRO 6
89 5AYT L6Y 6.52174
90 1B7Y FYA 6.52174
91 1SM4 FAD 6.52174
92 1T36 ORN 6.52174
93 1GAW FAD 6.52174
94 2BSA NAP 6.52174
95 2BSA FAD 6.52174
96 5VW2 NAP 6.52174
97 5VW2 FDA 6.52174
98 4DQL FAD 6.52174
99 4DQL NAP 6.52174
100 4YRY FAD 6.52174
101 5FLJ QUE 6.52174
102 2VNF ALA ARG THR M3L GLN THR ALA ARG LYS SER 6.66667
103 4M5S GLY GLU ARG THR ILE PRO ILE THR ARG GLU 6.89655
104 1R1Q ACE ARG GLU PTR VAL ASN VAL 7
105 5H5J FAD 7.2165
106 3HDY FAD 7.24638
107 5CPR 539 7.24638
108 3HDY GDU 7.24638
109 3HDY FDA 7.24638
110 3QFS FAD 7.24638
111 3FJO FAD 7.24638
112 5YLT SFG 7.24638
113 5YLT C7N 7.24638
114 3GFZ C2E 7.24638
115 1B4P GPS 7.24638
116 5N5U AMP 7.24638
117 5FA6 FMN 7.24638
118 5FA6 NAP 7.24638
119 5FA6 FAD 7.24638
120 1SOX MTE 7.97101
121 3E9I XAH 7.97101
122 5MRH Q9Z 7.97101
123 4U03 TLL 7.97101
124 1SB8 NAD 7.97101
125 5Z46 8XL 7.97101
126 6DQU GLY ILE ILE ASN THR LEU 7.97101
127 3F5A SIA GAL NAG 8.69565
128 3ZXR P3S 8.69565
129 3ZXR IQ1 8.69565
130 5IVE 6E8 8.69565
131 4Z3X 4KX 8.69565
132 4Z3X MTE 8.69565
133 1YZQ GNP 8.69565
134 1PG4 COA 8.69565
135 1PG4 PRX 8.69565
136 2A9K GDP 8.69565
137 3GVL SLB SIA 8.69565
138 2XGT NSS 9.42029
139 2YB9 HA0 9.42029
140 1W6U HXC 9.42029
141 2E1T MLC 9.42029
142 4B52 RDF 10.1449
143 4CA5 3EF 10.1449
144 4KQR VPP 10.1449
145 4LO6 SIA GAL 10.8696
146 4ZEI LAO 10.8696
147 4PJT 2YQ 10.8696
148 4Z5W TYS ILE TYS THR GLN 10.8696
149 3PPM JG1 10.8696
150 5U98 1KX 11.1111
151 4DS0 A2G GAL NAG FUC 11.5942
152 5JLB SAH 11.5942
153 4L6T GAL NGA GAL BGC SIA 11.6071
154 1RZX ACE VAL LYS GLU SER LEU VAL 12.2449
155 3MHP FAD 12.3188
156 1QFY FAD 12.3188
157 1QFY NAP 12.3188
158 5NWD 9C8 12.3188
159 4LRL TTP 12.3188
160 4BUY F37 12.3188
161 2RDG NDG FUC SIA GAL 13.0435
162 3A5Y KAA 13.7681
163 3A5Z KAA 13.7681
164 5LYH 7B8 13.7681
165 4F07 FAD 13.7681
166 2A9D MTE 14.4928
167 5LX6 78P 14.4928
168 5WXH ALA ARG THR M3L GLN THR ALA 15.873
169 1XT8 CYS 15.942
170 3TCT 3MI 17.3228
171 3NZW BOC TY5 ALA RE0 ABN 17.3913
172 3OZV FAD 17.3913
173 3OZV ECN 17.3913
174 1WN3 HXC 17.6471
175 4FAJ LEU VAL THR LEU VAL PHE VAL 18.1159
176 1J3I UMP 18.1159
177 5TUZ SAM 19.5652
178 5TUZ 7L6 19.5652
179 4L4V 1VY 20.2899
180 3W2E NAD 21.7391
181 3W2E FAD 21.7391
182 5WA0 MSS 22.4638
183 4OFJ HIS 23.913
184 5WHU SIA GAL 43.4783
Pocket No.: 3; Query (leader) PDB : 5WHT; Ligand: SIA GAL GLC; Similar sites found with APoc: 199
This union binding pocket(no: 3) in the query (biounit: 5wht.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 3EM0 CHD None
2 1PZO CBT None
3 2WYV NAD None
4 2P3C 3TL None
5 2P3B 3TL None
6 3KAP FMN None
7 2J9C ATP None
8 3KV8 FAH None
9 2RIF AMP None
10 2XQQ SAC ARG GLY THR GLN THR GLU None
11 1L6O SER LEU LYS LEU MET THR THR VAL None
12 2X3F APC None
13 6C8X BVR None
14 2UX9 FMN None
15 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA None
16 3SMA ACO 1.44928
17 3NCQ ATP 1.68067
18 3TA2 AKG 1.69492
19 3TA2 ATP 1.69492
20 4P9Z NMI PTR 02K ASN NH2 1.7094
21 1JYQ MAZ PTR PTM ASN 2.08333
22 5CCM SAM 2.17391
23 5CCM 4ZX 2.17391
24 3EWK FAD 2.17391
25 4AVB ACO 2.17391
26 4B0T ADP 2.17391
27 1W0H AMP 2.17391
28 2ZD8 MER 2.17391
29 5ULP KB1 2.23881
30 5ACM MBT 2.7027
31 3TAY MN0 2.89855
32 1QSC ACE TYR PRO ILE GLN GLU THR 2.89855
33 2YJP CYS 2.89855
34 3AHO 3A2 2.89855
35 6CEN ACE GLY VAL NLE ARG ILE NH2 2.89855
36 2BII MTV 3.62319
37 1B7H LYS NLE LYS 3.62319
38 1BDB NAD 3.62319
39 4MO2 FAD 3.62319
40 2ART LPA AMP 3.62319
41 2AG4 LP3 3.62319
42 2AG4 OLA 3.62319
43 1FND FAD 3.62319
44 1FND A2P 3.62319
45 1I8T FAD 3.62319
46 4MO2 FDA 3.62319
47 6GAQ FMN 3.62319
48 4Q0P 0MK 3.62319
49 3ND6 ATP 3.62319
50 2Z3U CRR 3.62319
51 5A89 FMN 3.62319
52 1G51 AMO 4.34783
53 6F8B CXH 4.34783
54 2Q16 ITT 4.34783
55 3VO1 FAD 4.34783
56 5LFV SIA GAL NAG 4.34783
57 5GXU FAD 4.34783
58 2OFD NGA 4.34783
59 5XWV 8H6 4.34783
60 4K30 NLG 4.34783
61 4O6W ACE PRO LEU 2SO SER TPO NH2 4.34783
62 2E5A LAQ 4.34783
63 4GAH 0ET 4.34783
64 4Z87 GDP 4.34783
65 3OJF IMJ 4.34783
66 3OJF NDP 4.34783
67 1TLL FAD 4.34783
68 4MSG 2C6 4.34783
69 4U9U FAD 4.34783
70 5KIQ SIA GAL NAG FUC 4.34783
71 2OFE NAG 4.34783
72 1XDY MTE 4.34783
73 4Z2S NAG 4.34783
74 4Z2S NDG 4.34783
75 1F20 FAD 4.34783
76 4CS4 AXZ 5.07246
77 4CS4 ANP 5.07246
78 5OGX FAD 5.07246
79 2FGE ALA ALA LEU THR ARG ALA 5.07246
80 4BMO FMN 5.07246
81 1J54 TMP 5.07246
82 2QTZ FAD 5.07246
83 4ONT SIA GAL BGC 5.42636
84 2XTS MTE 5.7971
85 1X54 4AD 5.7971
86 5F1R 42O 5.7971
87 6EK3 OUL 5.7971
88 3NEM AMO 5.7971
89 1RY2 AMP 5.7971
90 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY 5.7971
91 4USI ATP 5.7971
92 2PX8 SAH 5.7971
93 5GJH SER ASP PTR MET ASN MET THR PRO 6
94 5AYT L6Y 6.52174
95 1B7Y FYA 6.52174
96 1T36 ORN 6.52174
97 1SM4 FAD 6.52174
98 5FLJ QUE 6.52174
99 1GAW FAD 6.52174
100 4DQL FAD 6.52174
101 4DQL NAP 6.52174
102 5VW2 NAP 6.52174
103 5VW2 FDA 6.52174
104 1KRP DT DT PST 6.52174
105 2C78 GNP 6.52174
106 3PE2 E1B 6.82493
107 4M5S GLY GLU ARG THR ILE PRO ILE THR ARG GLU 6.89655
108 1R1Q ACE ARG GLU PTR VAL ASN VAL 7
109 5H5J FAD 7.2165
110 3HDY FAD 7.24638
111 3HDY FDA 7.24638
112 3HDY GDU 7.24638
113 3QFS FAD 7.24638
114 3FJO FAD 7.24638
115 4IAE 1DX 7.24638
116 5FA6 FMN 7.24638
117 5FA6 FAD 7.24638
118 5FA6 NAP 7.24638
119 3H4V NAP 7.24638
120 3H4V DVP 7.24638
121 5N5U AMP 7.24638
122 1B4P GPS 7.24638
123 1MFG GLU TYR LEU GLY LEU ASP VAL PRO VAL 7.36842
124 5VL2 9EG 7.57576
125 1SOX MTE 7.97101
126 2GC0 PAN 7.97101
127 3E9I XAH 7.97101
128 6DQU GLY ILE ILE ASN THR LEU 7.97101
129 5MRH Q9Z 7.97101
130 5I7S E9P 7.97101
131 5I7S NAD 7.97101
132 5Z46 8XL 7.97101
133 4U03 TLL 7.97101
134 1QG6 TCL 7.97101
135 1QG6 NAD 7.97101
136 1V25 ANP 7.97101
137 3F5A SIA GAL NAG 8.69565
138 3ZXR P3S 8.69565
139 3ZXR IQ1 8.69565
140 4Z3X 4KX 8.69565
141 2A9K GDP 8.69565
142 1PG4 PRX 8.69565
143 1PG4 COA 8.69565
144 1JS3 PLP 142 8.69565
145 4Z3X MTE 8.69565
146 3GVL SLB SIA 8.69565
147 2XGT NSS 9.42029
148 1U7Z PMT 9.42029
149 1W6U HXC 9.42029
150 2E1T MLC 9.42029
151 3T4L ZEA 9.42029
152 4CA5 3EF 10.1449
153 4KSY 1SY 10.1449
154 5VM0 9EG 10.1562
155 4LO6 SIA GAL 10.8696
156 4ZEI LAO 10.8696
157 2Y4O DLL 10.8696
158 4Z5W TYS ILE TYS THR GLN 10.8696
159 5U98 1KX 11.1111
160 5WL1 CUY 11.1111
161 5WL1 D3D 11.1111
162 4DS0 A2G GAL NAG FUC 11.5942
163 4FMU 0UM 11.5942
164 3RS8 ALA TRP LEU PHE GLU ALA 11.5942
165 5JLB SAH 11.5942
166 1RZX ACE VAL LYS GLU SER LEU VAL 12.2449
167 4LRL TTP 12.3188
168 3MHP FAD 12.3188
169 5NWD 9C8 12.3188
170 1QFY NAP 12.3188
171 1QFY FAD 12.3188
172 4BUY F37 12.3188
173 5JJR SAH 12.3188
174 1F9A ATP 12.3188
175 2RDG NDG FUC SIA GAL 13.0435
176 1V35 NAI 13.0435
177 1W96 S1A 13.0435
178 3LKZ SFG 13.0435
179 3A5Y KAA 13.7681
180 3A5Z KAA 13.7681
181 5LYH 7B8 13.7681
182 3E7W AMP 13.7681
183 2A9D MTE 14.4928
184 4PYW ACE THR THR ALA ILE NH2 14.4928
185 5LX6 78P 14.4928
186 4XPL ACO 15.2174
187 5GRM 1SY 15.2174
188 3TCT 3MI 17.3228
189 3OZV FAD 17.3913
190 2IDO TMP 18.0723
191 4FAJ LEU VAL THR LEU VAL PHE VAL 18.1159
192 4L4V 1VY 20.2899
193 5WA0 MSS 22.4638
194 4PW9 MSS 22.4638
195 3A7R LAQ 22.4638
196 1QR0 COA 23.1884
197 1NNU NAD 32.6087
198 1NNU TCT 32.6087
199 5WHU SIA GAL 43.4783
Pocket No.: 4; Query (leader) PDB : 5WHT; Ligand: SIA; Similar sites found with APoc: 13
This union binding pocket(no: 4) in the query (biounit: 5wht.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 3N7H DE3 2.4
2 6GAQ FMN 3.62319
3 5IRR GSP 5.07246
4 5F1R 42O 5.7971
5 5AYT L6Y 6.52174
6 2QZX IVA VAL VAL STA ALA STA 6.52174
7 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 7.36842
8 5MU6 KFK 7.97101
9 5MU6 MYA 7.97101
10 2AQJ FAD 15.942
11 6BJO DUY 16.8
12 3NZW BOC TY5 ALA RE0 ABN 17.3913
13 3A7R LAQ 22.4638
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