-->
Receptor
PDB id Resolution Class Description Source Keywords
1WS4 1.9 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF JACALIN- ME-ALPHA-MANNOSE COMPLEX: PROM SPECIFICITY ARTOCARPUS INTEGER BETA-PRISM-I FOLD POST TRANSLATIONAL PROTEOLYSIS LECTIN GSPECIFIC SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR THE ENERGETICS OF JACALIN-SUGA INTERACTIONS: PROMISCUITY VERSUS SPECIFICITY J.MOL.BIOL. V. 347 181 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMG E:503;
Valid;
none;
submit data
194.182 C7 H14 O6 CO[C@...
GYP A:501;
C:502;
G:504;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 1 mM
194.182 C7 H14 O6 CO[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WS4 1.9 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF JACALIN- ME-ALPHA-MANNOSE COMPLEX: PROM SPECIFICITY ARTOCARPUS INTEGER BETA-PRISM-I FOLD POST TRANSLATIONAL PROTEOLYSIS LECTIN GSPECIFIC SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR THE ENERGETICS OF JACALIN-SUGA INTERACTIONS: PROMISCUITY VERSUS SPECIFICITY J.MOL.BIOL. V. 347 181 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1WS4 Kd = 1 mM GYP C7 H14 O6 CO[C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 1WS4 Kd = 1 mM GYP C7 H14 O6 CO[C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 1WS4 Kd = 1 mM GYP C7 H14 O6 CO[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMG; Similar ligands found: 169
No: Ligand ECFP6 Tc MDL keys Tc
1 MMA 1 1
2 GYP 1 1
3 AMG 1 1
4 MBG 1 1
5 MAN MMA 0.651163 0.914286
6 GAL MBG 0.613636 0.914286
7 M13 0.613636 0.914286
8 DR5 0.613636 0.914286
9 MMA MAN 0.613636 0.914286
10 MDM 0.613636 0.914286
11 TRE 0.583333 0.857143
12 GLA MBG 0.581395 0.914286
13 MA3 0.525 0.914286
14 G1P 0.512195 0.674419
15 M1P 0.512195 0.674419
16 GL1 0.512195 0.674419
17 XGP 0.512195 0.674419
18 BQZ 0.5 0.878788
19 DEG 0.488889 0.837838
20 2M4 0.478261 0.857143
21 WZ1 0.470588 0.842105
22 MAG 0.468085 0.727273
23 EBQ 0.468085 0.861111
24 2F8 0.468085 0.727273
25 RGG 0.466667 0.909091
26 MAN MMA MAN 0.464286 0.914286
27 BGC SSG SSG SGC MA3 0.462963 0.842105
28 GLC SSG SGC SGC MA3 0.462963 0.842105
29 BGC SGC SGC GTM 0.462963 0.842105
30 GAL MGC 0.462963 0.680851
31 GAT 0.458333 0.674419
32 GLC HEX 0.458333 0.775
33 JZR 0.458333 0.775
34 BHG 0.458333 0.775
35 SMD 0.45098 0.842105
36 2GS 0.45 1
37 B7G 0.44898 0.756098
38 KGM 0.44898 0.756098
39 LAT GLA 0.446809 0.857143
40 2M8 0.446809 0.882353
41 GTM BGC BGC 0.442623 0.842105
42 BNG 0.44 0.756098
43 GLC GLO 0.44 0.909091
44 BOG 0.44 0.756098
45 HSJ 0.44 0.756098
46 R1P 0.439024 0.6
47 GLA GAL 0.4375 0.857143
48 GLC GAL 0.4375 0.857143
49 BGC BMA 0.4375 0.857143
50 LBT 0.4375 0.857143
51 LAT 0.4375 0.857143
52 EBG 0.4375 0.810811
53 MAL 0.4375 0.857143
54 MAN GLC 0.4375 0.857143
55 56N 0.4375 0.805556
56 GLA GLA 0.4375 0.857143
57 LB2 0.4375 0.857143
58 N9S 0.4375 0.857143
59 NGR 0.4375 0.857143
60 CBI 0.4375 0.857143
61 GAL BGC 0.4375 0.857143
62 M3M 0.4375 0.857143
63 MAB 0.4375 0.857143
64 BMA GAL 0.4375 0.857143
65 CBK 0.4375 0.857143
66 BGC GAL 0.4375 0.857143
67 B2G 0.4375 0.857143
68 GAL FUC 0.431373 0.857143
69 MBG A2G 0.431034 0.680851
70 A2G MBG 0.431034 0.680851
71 GLA BGC 0.428571 0.857143
72 GLC GLC 0.428571 0.857143
73 BGC GLA 0.428571 0.857143
74 MAN BMA 0.428571 0.857143
75 BMA MAN 0.428571 0.857143
76 MAN MAN 0.428571 0.857143
77 GLA GLC 0.428571 0.857143
78 BMA GLA 0.428571 0.857143
79 BGC GLC 0.428571 0.857143
80 GLC BGC 0.428571 0.857143
81 LAK 0.428571 0.857143
82 GAL GAL 0.428571 0.857143
83 MLB 0.428571 0.857143
84 GLA BMA 0.428571 0.857143
85 GAL GLC 0.428571 0.857143
86 WZ2 0.42623 0.842105
87 GLA EGA 0.423077 0.861111
88 GAL PHB 0.423077 0.783784
89 T6P 0.42 0.666667
90 RZM 0.42 0.666667
91 BGC BGC SGC MGL 0.415385 0.842105
92 MGL SGC GLC GLC 0.415385 0.842105
93 MGL SGC BGC BGC 0.415385 0.842105
94 BMA IFM 0.415094 0.652174
95 MAN MAN BMA 0.415094 0.857143
96 VAM 0.415094 0.842105
97 IFM BMA 0.415094 0.652174
98 BMA BMA MAN 0.415094 0.857143
99 IFM BGC 0.415094 0.652174
100 NAG MBG 0.413793 0.680851
101 HNV 0.413793 0.842105
102 WZ3 0.412698 0.888889
103 GLC GLC GLC 0.411765 0.857143
104 DOM 0.411765 0.810811
105 SWE 0.411765 0.789474
106 MAN MAN MAN 0.411765 0.857143
107 BGC BGC 0.411765 0.833333
108 BMA BMA 0.411765 0.833333
109 MAN 7D1 0.411765 0.810811
110 GLC GLC GLC GLC GLC BGC 0.411765 0.857143
111 BMA MAN MAN 0.411765 0.857143
112 SUC 0.411765 0.789474
113 GLC GLC GLC GLC BGC 0.411765 0.857143
114 MFB 0.410256 0.727273
115 MFU 0.410256 0.727273
116 XLM 0.407407 0.888889
117 DMJ MAN 0.407407 0.638298
118 NOJ BGC 0.407407 0.638298
119 GLC DMJ 0.407407 0.638298
120 3X8 0.407407 0.763158
121 FK9 0.407407 0.756098
122 GLC BGC BGC BGC BGC BGC 0.403846 0.857143
123 MTT 0.403846 0.857143
124 MT7 0.403846 0.857143
125 GLC BGC BGC BGC BGC 0.403846 0.857143
126 MLR 0.403846 0.857143
127 GLC BGC BGC BGC 0.403846 0.857143
128 BGC BGC BGC GLC 0.403846 0.857143
129 BGC BGC BGC BGC BGC 0.403846 0.857143
130 GLA GAL BGC 0.403846 0.857143
131 SER MAN 0.403846 0.697674
132 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.403846 0.857143
133 CEX 0.403846 0.857143
134 CE6 0.403846 0.857143
135 BGC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
136 BMA BMA BMA 0.403846 0.857143
137 GLC GLC GLC GLC GLC 0.403846 0.857143
138 CTR 0.403846 0.857143
139 BMA MAN BMA 0.403846 0.857143
140 GLC GAL GAL 0.403846 0.857143
141 CE5 0.403846 0.857143
142 U63 0.403846 0.769231
143 BGC BGC BGC 0.403846 0.857143
144 CT3 0.403846 0.857143
145 GLA GAL GLC 0.403846 0.857143
146 DXI 0.403846 0.857143
147 BGC GLC GLC GLC 0.403846 0.857143
148 BGC BGC BGC BGC BGC BGC 0.403846 0.857143
149 GLC BGC GLC 0.403846 0.857143
150 MAN BMA BMA BMA BMA BMA 0.403846 0.857143
151 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
152 BGC GLC GLC GLC GLC 0.403846 0.857143
153 BGC BGC BGC BGC 0.403846 0.857143
154 CE8 0.403846 0.857143
155 CEY 0.403846 0.857143
156 MAN BMA BMA BMA BMA 0.403846 0.857143
157 BGC GLC GLC 0.403846 0.857143
158 BGC BGC GLC 0.403846 0.857143
159 BMA BMA BMA BMA BMA BMA 0.403846 0.857143
160 CTT 0.403846 0.857143
161 GLC GLC BGC 0.403846 0.857143
162 MAN MAN BMA BMA BMA BMA 0.403846 0.857143
163 GLC BGC BGC 0.403846 0.857143
164 MAN BMA BMA 0.403846 0.857143
165 B4G 0.403846 0.857143
166 BMA BMA BMA BMA BMA 0.403846 0.857143
167 GAL GAL GAL 0.403846 0.857143
168 GLC 7LQ 0.4 0.857143
169 IFM MAN 0.4 0.652174
Ligand no: 2; Ligand: GYP; Similar ligands found: 169
No: Ligand ECFP6 Tc MDL keys Tc
1 MMA 1 1
2 GYP 1 1
3 AMG 1 1
4 MBG 1 1
5 MAN MMA 0.651163 0.914286
6 GAL MBG 0.613636 0.914286
7 M13 0.613636 0.914286
8 DR5 0.613636 0.914286
9 MMA MAN 0.613636 0.914286
10 MDM 0.613636 0.914286
11 TRE 0.583333 0.857143
12 GLA MBG 0.581395 0.914286
13 MA3 0.525 0.914286
14 G1P 0.512195 0.674419
15 M1P 0.512195 0.674419
16 GL1 0.512195 0.674419
17 XGP 0.512195 0.674419
18 BQZ 0.5 0.878788
19 DEG 0.488889 0.837838
20 2M4 0.478261 0.857143
21 WZ1 0.470588 0.842105
22 MAG 0.468085 0.727273
23 EBQ 0.468085 0.861111
24 2F8 0.468085 0.727273
25 RGG 0.466667 0.909091
26 MAN MMA MAN 0.464286 0.914286
27 BGC SSG SSG SGC MA3 0.462963 0.842105
28 GLC SSG SGC SGC MA3 0.462963 0.842105
29 BGC SGC SGC GTM 0.462963 0.842105
30 GAL MGC 0.462963 0.680851
31 GAT 0.458333 0.674419
32 GLC HEX 0.458333 0.775
33 JZR 0.458333 0.775
34 BHG 0.458333 0.775
35 SMD 0.45098 0.842105
36 2GS 0.45 1
37 B7G 0.44898 0.756098
38 KGM 0.44898 0.756098
39 LAT GLA 0.446809 0.857143
40 2M8 0.446809 0.882353
41 GTM BGC BGC 0.442623 0.842105
42 BNG 0.44 0.756098
43 GLC GLO 0.44 0.909091
44 BOG 0.44 0.756098
45 HSJ 0.44 0.756098
46 R1P 0.439024 0.6
47 GLA GAL 0.4375 0.857143
48 GLC GAL 0.4375 0.857143
49 BGC BMA 0.4375 0.857143
50 LBT 0.4375 0.857143
51 LAT 0.4375 0.857143
52 EBG 0.4375 0.810811
53 MAL 0.4375 0.857143
54 MAN GLC 0.4375 0.857143
55 56N 0.4375 0.805556
56 GLA GLA 0.4375 0.857143
57 LB2 0.4375 0.857143
58 N9S 0.4375 0.857143
59 NGR 0.4375 0.857143
60 CBI 0.4375 0.857143
61 GAL BGC 0.4375 0.857143
62 M3M 0.4375 0.857143
63 MAB 0.4375 0.857143
64 BMA GAL 0.4375 0.857143
65 CBK 0.4375 0.857143
66 BGC GAL 0.4375 0.857143
67 B2G 0.4375 0.857143
68 GAL FUC 0.431373 0.857143
69 MBG A2G 0.431034 0.680851
70 A2G MBG 0.431034 0.680851
71 GLA BGC 0.428571 0.857143
72 GLC GLC 0.428571 0.857143
73 BGC GLA 0.428571 0.857143
74 MAN BMA 0.428571 0.857143
75 BMA MAN 0.428571 0.857143
76 MAN MAN 0.428571 0.857143
77 GLA GLC 0.428571 0.857143
78 BMA GLA 0.428571 0.857143
79 BGC GLC 0.428571 0.857143
80 GLC BGC 0.428571 0.857143
81 LAK 0.428571 0.857143
82 GAL GAL 0.428571 0.857143
83 MLB 0.428571 0.857143
84 GLA BMA 0.428571 0.857143
85 GAL GLC 0.428571 0.857143
86 WZ2 0.42623 0.842105
87 GLA EGA 0.423077 0.861111
88 GAL PHB 0.423077 0.783784
89 T6P 0.42 0.666667
90 RZM 0.42 0.666667
91 BGC BGC SGC MGL 0.415385 0.842105
92 MGL SGC GLC GLC 0.415385 0.842105
93 MGL SGC BGC BGC 0.415385 0.842105
94 BMA IFM 0.415094 0.652174
95 MAN MAN BMA 0.415094 0.857143
96 VAM 0.415094 0.842105
97 IFM BMA 0.415094 0.652174
98 BMA BMA MAN 0.415094 0.857143
99 IFM BGC 0.415094 0.652174
100 NAG MBG 0.413793 0.680851
101 HNV 0.413793 0.842105
102 WZ3 0.412698 0.888889
103 GLC GLC GLC 0.411765 0.857143
104 DOM 0.411765 0.810811
105 SWE 0.411765 0.789474
106 MAN MAN MAN 0.411765 0.857143
107 BGC BGC 0.411765 0.833333
108 BMA BMA 0.411765 0.833333
109 MAN 7D1 0.411765 0.810811
110 GLC GLC GLC GLC GLC BGC 0.411765 0.857143
111 BMA MAN MAN 0.411765 0.857143
112 SUC 0.411765 0.789474
113 GLC GLC GLC GLC BGC 0.411765 0.857143
114 MFB 0.410256 0.727273
115 MFU 0.410256 0.727273
116 XLM 0.407407 0.888889
117 DMJ MAN 0.407407 0.638298
118 NOJ BGC 0.407407 0.638298
119 GLC DMJ 0.407407 0.638298
120 3X8 0.407407 0.763158
121 FK9 0.407407 0.756098
122 GLC BGC BGC BGC BGC BGC 0.403846 0.857143
123 MTT 0.403846 0.857143
124 MT7 0.403846 0.857143
125 GLC BGC BGC BGC BGC 0.403846 0.857143
126 MLR 0.403846 0.857143
127 GLC BGC BGC BGC 0.403846 0.857143
128 BGC BGC BGC GLC 0.403846 0.857143
129 BGC BGC BGC BGC BGC 0.403846 0.857143
130 GLA GAL BGC 0.403846 0.857143
131 SER MAN 0.403846 0.697674
132 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.403846 0.857143
133 CEX 0.403846 0.857143
134 CE6 0.403846 0.857143
135 BGC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
136 BMA BMA BMA 0.403846 0.857143
137 GLC GLC GLC GLC GLC 0.403846 0.857143
138 CTR 0.403846 0.857143
139 BMA MAN BMA 0.403846 0.857143
140 GLC GAL GAL 0.403846 0.857143
141 CE5 0.403846 0.857143
142 U63 0.403846 0.769231
143 BGC BGC BGC 0.403846 0.857143
144 CT3 0.403846 0.857143
145 GLA GAL GLC 0.403846 0.857143
146 DXI 0.403846 0.857143
147 BGC GLC GLC GLC 0.403846 0.857143
148 BGC BGC BGC BGC BGC BGC 0.403846 0.857143
149 GLC BGC GLC 0.403846 0.857143
150 MAN BMA BMA BMA BMA BMA 0.403846 0.857143
151 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
152 BGC GLC GLC GLC GLC 0.403846 0.857143
153 BGC BGC BGC BGC 0.403846 0.857143
154 CE8 0.403846 0.857143
155 CEY 0.403846 0.857143
156 MAN BMA BMA BMA BMA 0.403846 0.857143
157 BGC GLC GLC 0.403846 0.857143
158 BGC BGC GLC 0.403846 0.857143
159 BMA BMA BMA BMA BMA BMA 0.403846 0.857143
160 CTT 0.403846 0.857143
161 GLC GLC BGC 0.403846 0.857143
162 MAN MAN BMA BMA BMA BMA 0.403846 0.857143
163 GLC BGC BGC 0.403846 0.857143
164 MAN BMA BMA 0.403846 0.857143
165 B4G 0.403846 0.857143
166 BMA BMA BMA BMA BMA 0.403846 0.857143
167 GAL GAL GAL 0.403846 0.857143
168 GLC 7LQ 0.4 0.857143
169 IFM MAN 0.4 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WS4; Ligand: GYP; Similar sites found with APoc: 89
This union binding pocket(no: 1) in the query (biounit: 1ws4.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4O4F IHP None
2 3TAY MN0 None
3 3ZS9 ADP ALF None
4 1NZY BCA None
5 1RZ0 FAD None
6 3ZO7 K6H 2.12766
7 5FUS DAO 2.25564
8 1N1G BCP 2.25564
9 4ZRN NAD 3.00752
10 2QTR NXX 3.00752
11 4ZRN UPG 3.00752
12 1C1X HFA 3.00752
13 5YJI 8WO 3.7594
14 2PI8 NAG NAG NAG NAG NAG NAG 3.7594
15 6AYU F6P 3.7594
16 4GLL NAD 3.7594
17 3PA8 621 3.7594
18 4ETZ C2E 3.7594
19 4QRH 0O2 4.51128
20 5HGZ ACO 4.51128
21 1JQ3 AAT 5.26316
22 4RDN 6MD 5.26316
23 5JQ1 ZPF 6.01504
24 3D1R FBP 6.01504
25 2C9O ADP 6.01504
26 1PVN MZP 6.76692
27 3DLS ADP 6.76692
28 1MUU NAD 6.76692
29 4OOP DUP 6.76692
30 1T66 FLU 6.76692
31 5IBP ACE ASP GLU VAL ASP 0QE 7.5188
32 4X1T UDP 7.5188
33 2OFW ADX 8.27068
34 4X7R 3YW 8.27068
35 2IHU TP9 8.27068
36 4ZNO SUC 9.02256
37 5YJF SAH 9.02256
38 2F3R G5P 9.02256
39 2ZGY GDP 9.02256
40 5YJF 8WO 9.02256
41 5N2I NAP 9.02256
42 2IW1 U2F 9.02256
43 4HVA 4HV 9.77444
44 1ELI PYC 9.77444
45 3EWC MCF 9.77444
46 6BSX E7S 9.77444
47 1G3Q ADP 9.77444
48 1V25 ANP 10.5263
49 1SSQ CYS 11.2782
50 2BJU IH4 12.0301
51 1HDR NAD 12.0301
52 4V03 ADP 12.782
53 3ZQ6 ADP ALF 13.5338
54 2A14 SAH 13.5338
55 5YRI GLC GLC 14.2857
56 5YRL GLC GLC 14.2857
57 5YRG BGC GLC 14.2857
58 5YRM BGC GLC 14.2857
59 5YRJ BGC GLC 14.2857
60 5YRF GLC GLC 14.2857
61 1OFD AKG 14.2857
62 1OFD FMN 14.2857
63 3O9L LPN 15.0376
64 4WOE ADP 15.0376
65 2Z6I FMN 15.0376
66 6F3G CJN 15.0376
67 5UIU 8CG 15.0376
68 4DHY GLC 15.7895
69 3D91 REM 17.2932
70 5KMS FAD 18.797
71 3AJ6 NGA 21.8045
72 1U6R ADP 21.8045
73 4YDD MD1 24.0602
74 4YDD MGD 24.0602
75 5XFH NAG MAN BMA MAN NAG GAL 30
76 2GV8 FAD 30
77 3AD8 NAD 30
78 3HRD FAD 30
79 3R51 MMA 34.5865
80 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 37.3984
81 2GUD MAN 37.7049
82 2GUC MAN 37.7049
83 2HYR BGC GLC 37.7049
84 2NU5 NAG 37.7049
85 2HYQ MAN MAN 37.7049
86 2GUD BMA 37.7049
87 2NUO BGC 37.7049
88 2GUE NAG 37.7049
89 3VY6 BGC BGC 40.6015
90 1YBH FAD 50
Pocket No.: 2; Query (leader) PDB : 1WS4; Ligand: AMG; Similar sites found with APoc: 89
This union binding pocket(no: 2) in the query (biounit: 1ws4.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4O4F IHP None
2 1RZ0 FAD None
3 1RZ1 FAD None
4 2UYT LRH 1.50376
5 2UYT ADP 1.50376
6 3ZO7 K6H 2.12766
7 5FUS DAO 2.25564
8 1N1G BCP 2.25564
9 1C1X HFA 3.00752
10 1BW9 PPY 3.00752
11 2QTR NXX 3.00752
12 4BG4 ADP 3.00752
13 5LYH 7B8 3.00752
14 4ZRN UPG 3.00752
15 5FAG PPI 3.00752
16 2PI8 NAG NAG NAG NAG NAG NAG 3.7594
17 6AYU F6P 3.7594
18 1M15 ARG 3.7594
19 1M15 ADP 3.7594
20 5HGZ ACO 4.51128
21 4QRH 0O2 4.51128
22 1JQ3 AAT 5.26316
23 4RDN 6MD 5.26316
24 1S9D GDP 5.26316
25 1TUF AZ1 5.26316
26 3D1R FBP 6.01504
27 3AWJ COA 6.01504
28 5XNC MTA 6.01504
29 1T66 FLU 6.76692
30 3DLS ADP 6.76692
31 2D24 XYS XYS 6.76692
32 4OOP DUP 6.76692
33 5IBP ACE ASP GLU VAL ASP 0QE 7.5188
34 4JD3 COA 7.5188
35 4JD3 PLM 7.5188
36 1V9A SAH 7.5188
37 1PN0 FAD 7.5188
38 1PN0 IPH 7.5188
39 2OFW ADX 8.27068
40 4ZNO SUC 9.02256
41 5YJF SAH 9.02256
42 3QOX SAH 9.02256
43 5YJF 8WO 9.02256
44 3GC8 B45 9.02256
45 5N2I NAP 9.02256
46 4HVA 4HV 9.77444
47 1ELI PYC 9.77444
48 1V25 ANP 10.5263
49 3LDQ 3P1 10.5263
50 1SSQ CYS 11.2782
51 2BJU IH4 12.0301
52 1HDR NAD 12.0301
53 2D3M COA 12.782
54 3ZQ6 ADP ALF 13.5338
55 5YRI GLC GLC 14.2857
56 5YRL GLC GLC 14.2857
57 5YRG BGC GLC 14.2857
58 5YRM BGC GLC 14.2857
59 5YRJ BGC GLC 14.2857
60 5YRF GLC GLC 14.2857
61 1OFD AKG 14.2857
62 1OFD FMN 14.2857
63 3O9L LPN 15.0376
64 4WOE ADP 15.0376
65 6F3G CJN 15.0376
66 3B6R ADP 16.5414
67 3D91 REM 17.2932
68 5KMS FAD 18.797
69 4A05 CTT 19.5489
70 3AJ6 NGA 21.8045
71 1VRP ADP 21.8045
72 1U6R ADP 21.8045
73 4NV7 COA 23.3083
74 4YDD MGD 24.0602
75 4YDD MD1 24.0602
76 5XFH NAG MAN BMA MAN NAG GAL 30
77 3HRD FAD 30
78 3R51 MMA 34.5865
79 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 37.3984
80 2GUD MAN 37.7049
81 2GUC MAN 37.7049
82 2HYR BGC GLC 37.7049
83 2NU5 NAG 37.7049
84 2GUD BMA 37.7049
85 2HYQ MAN MAN 37.7049
86 2NUO BGC 37.7049
87 2GUE NAG 37.7049
88 3VY6 BGC BGC 40.6015
89 1EX7 5GP 45
90 1YBH FAD 50
Pocket No.: 3; Query (leader) PDB : 1WS4; Ligand: GYP; Similar sites found with APoc: 20
This union binding pocket(no: 3) in the query (biounit: 1ws4.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 5DJH AMP None
2 1RZ1 FAD None
3 2UYT ADP 1.50376
4 2UYT LRH 1.50376
5 1SUW NAP 3.00752
6 5XWV 8H6 4.51128
7 1TUF AZ1 5.26316
8 3AWJ COA 6.01504
9 1MV8 NAD 6.76692
10 1PN0 FAD 7.5188
11 1PN0 IPH 7.5188
12 2H3H BGC 8.27068
13 1KPG SAH 9.02256
14 3QOX SAH 9.02256
15 3ETG NDP 9.77444
16 4XTR ATP 10.5263
17 3D2M COA 12.0301
18 2D3M COA 12.782
19 1BGV GLU 15
20 2WPF FAD 26.3158
Pocket No.: 4; Query (leader) PDB : 1WS4; Ligand: GYP; Similar sites found with APoc: 16
This union binding pocket(no: 4) in the query (biounit: 1ws4.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1LVG ADP 3.00752
2 5LYH 7B8 3.00752
3 1S9D GDP 5.26316
4 2NSJ C2R 6.50888
5 3SIG AR6 6.76692
6 4JD3 PLM 7.5188
7 4JD3 COA 7.5188
8 1V9A SAH 7.5188
9 4XDA RIB 9.02256
10 4XDA ADP 9.02256
11 4XVU ATP 10.5263
12 1VRP ADP 21.8045
13 5K0A FAD 24.812
14 2GVC FAD 30
15 5DEY 59T 40
16 1EX7 5GP 45
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