Receptor
PDB id Resolution Class Description Source Keywords
5A05 1.9 Å EC: 1.1.99.- CRYSTAL STRUCTURE OF ALDOSE-ALDOSE OXIDOREDUCTASE FROM CAULOBACTER CRESCENTUS COMPLEXED WITH MALTOTRIOSE CAULOBACTER CRESCENTUS CB15 OXIDOREDUCTASE
Ref.: STRUCTURE AND FUNCTION OF CAULOBACTER CRESCENTUS AL ALDOSE OXIDOREDUCTASE. BIOCHEM.J. V. 472 297 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP D:1340;
C:1340;
E:1340;
F:1340;
A:1340;
B:1340;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
MLI F:1341;
B:1341;
B:1342;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
GLC BGC GLC E:1341;
C:1341;
A:1341;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
504.438 n/a O(C1O...
GLC GLC BGC D:1341;
Valid;
none;
submit data
504.438 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5A04 1.7 Å EC: 1.1.99.- CRYSTAL STRUCTURE OF ALDOSE-ALDOSE OXIDOREDUCTASE FROM CAULOBACTER CRESCENTUS COMPLEXED WITH GLUCOSE CAULOBACTER CRESCENTUS CB15 OXIDOREDUCTASE
Ref.: STRUCTURE AND FUNCTION OF CAULOBACTER CRESCENTUS AL ALDOSE OXIDOREDUCTASE. BIOCHEM.J. V. 472 297 2015
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5A02 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 5A05 - GLC BGC GLC n/a n/a
3 5A04 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
4 5A06 - SOR C6 H14 O6 C([C@@H]([....
5 5A03 - XYP C5 H10 O5 C1[C@H]([C....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5A02 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 5A05 - GLC BGC GLC n/a n/a
3 5A04 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
4 5A06 - SOR C6 H14 O6 C([C@@H]([....
5 5A03 - XYP C5 H10 O5 C1[C@H]([C....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1RYE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 1RYD - GLC C6 H12 O6 C([C@@H]1[....
3 5A02 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 5A05 - GLC BGC GLC n/a n/a
5 5A04 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
6 5A06 - SOR C6 H14 O6 C([C@@H]([....
7 5A03 - XYP C5 H10 O5 C1[C@H]([C....
8 1H6D - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 1H6C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 1H6A - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Ligand no: 2; Ligand: GLC BGC GLC; Similar ligands found: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GAL GLC 1 1
2 GLC GAL GAL 1 1
3 MAN MAN BMA BMA BMA BMA 1 1
4 CEX 1 1
5 MAN BMA BMA 1 1
6 CT3 1 1
7 MTT 1 1
8 BGC GLC GLC GLC 1 1
9 BGC BGC BGC GLC 1 1
10 GLC BGC GLC 1 1
11 CE8 1 1
12 MLR 1 1
13 BGC BGC BGC BGC BGC BGC BGC BGC BGC 1 1
14 GAL GAL GAL 1 1
15 BGC GLC GLC GLC GLC GLC GLC 1 1
16 MT7 1 1
17 GLC BGC BGC 1 1
18 CEY 1 1
19 BMA BMA BMA 1 1
20 GLC BGC BGC BGC BGC BGC 1 1
21 MAN BMA BMA BMA BMA 1 1
22 GLC GLC BGC GLC GLC GLC GLC 1 1
23 B4G 1 1
24 BGC GLC GLC 1 1
25 GLC GLC BGC 1 1
26 GLC GLC GLC GLC GLC GLC GLC 1 1
27 DXI 1 1
28 GLC BGC BGC BGC BGC 1 1
29 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
30 GLC GLC GLC GLC GLC 1 1
31 CTT 1 1
32 BMA BMA BMA BMA BMA 1 1
33 BMA BMA BMA BMA BMA BMA 1 1
34 BGC GLC GLC GLC GLC 1 1
35 BMA MAN BMA 1 1
36 CE5 1 1
37 CTR 1 1
38 CE6 1 1
39 BGC BGC BGC BGC BGC BGC 1 1
40 GLC GLC GLC GLC GLC GLC GLC GLC GLC 1 1
41 BMA BMA BMA BMA BMA BMA MAN 0.916667 0.970588
42 MAN BMA BMA BMA BMA BMA 0.916667 0.970588
43 BGC BMA 0.909091 1
44 LBT 0.909091 1
45 LAT 0.909091 1
46 GLC BGC 0.909091 1
47 GAL GLC 0.909091 1
48 BGC GAL 0.909091 1
49 MAB 0.909091 1
50 GLA GLA 0.909091 1
51 BMA GAL 0.909091 1
52 B2G 0.909091 1
53 N9S 0.909091 1
54 BGC GLC 0.909091 1
55 CBK 0.909091 1
56 GLA GAL 0.909091 1
57 BMA BMA 0.909091 1
58 GLC GAL 0.909091 1
59 CBI 0.909091 1
60 GAL BGC 0.909091 1
61 MAL MAL 0.909091 0.970588
62 MAL 0.909091 1
63 BGC BGC BGC BGC 0.830189 1
64 BGC BGC BGC BGC BGC BGC BGC BGC 0.830189 1
65 LAT GLA 0.765957 1
66 BMA BMA GLA BMA BMA 0.758621 1
67 GLA GAL GAL 0.754717 1
68 GLA GAL BGC 0.754717 1
69 GLC GLC GLC BGC 0.741379 1
70 BGC BGC GLC 0.735849 1
71 GLC GLC GLC GLC GLC GLC 0.677966 1
72 DR5 0.653846 0.942857
73 MMA MAN 0.653846 0.942857
74 NGA GAL BGC 0.650794 0.733333
75 GLA EGA 0.648148 0.942857
76 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.647059 0.942857
77 BGC BGC BGC XYS BGC BGC 0.647059 0.942857
78 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.647059 0.942857
79 ABD 0.637681 0.75
80 GAL NGA GLA BGC GAL 0.628571 0.733333
81 GLC GLC XYP 0.622951 1
82 GLA GAL BGC 5VQ 0.62069 0.891892
83 GLC GLC BGC XYS BGC XYS 0.617647 0.942857
84 G2F BGC BGC BGC BGC BGC 0.616667 0.868421
85 BGC BGC XYS BGC 0.61194 0.942857
86 MAL EDO 0.607143 0.942857
87 U63 0.6 0.891892
88 BGC BGC BGC XYS GAL 0.6 0.942857
89 NGA GLA GAL BGC 0.591549 0.733333
90 GLA GAL GLC NBU 0.590164 0.846154
91 M3M 0.584906 1
92 MAN GLC 0.584906 1
93 LB2 0.584906 1
94 GLC GAL NAG GAL 0.577465 0.733333
95 BGC GLA GAL FUC 0.573529 0.970588
96 OXZ BGC BGC 0.571429 0.6875
97 GAL FUC 0.571429 0.941176
98 GAL NAG GAL BGC 0.571429 0.733333
99 G2I 0.571429 0.767442
100 BGC GAL FUC 0.571429 0.970588
101 BMA BMA MAN 0.571429 0.970588
102 GLC GLC G6D ACI GLC GLC GLC 0.571429 0.785714
103 GLC GAL FUC 0.571429 0.970588
104 G3I 0.571429 0.767442
105 FUC LAT 0.571429 0.970588
106 BGC GAL NAG GAL 0.571429 0.733333
107 LAT FUC 0.571429 0.970588
108 FUC GAL GLC 0.571429 0.970588
109 LAT NAG GAL 0.571429 0.733333
110 2M4 0.566038 1
111 MAN MAN 0.566038 1
112 BGC BGC 0.566038 1
113 SGA BGC 0.559322 0.702128
114 GLC GLC XYS 0.553846 0.970588
115 BGC BGC BGC XYS BGC XYS GAL 0.545455 0.942857
116 GAL BGC BGC BGC XYS BGC XYS 0.545455 0.942857
117 SOR GLC GLC GLC 0.545455 0.970588
118 LAG 0.545455 0.6
119 ACR GLC GLC GLC 0.54321 0.733333
120 ARE 0.54321 0.733333
121 GLC GLC DAF BGC 0.54321 0.733333
122 GLC GLC ACI G6D GLC GLC 0.54321 0.733333
123 GLC GLC AGL HMC GLC 0.54321 0.733333
124 AAO 0.54321 0.733333
125 BGC BGC G2F SHG 0.542857 0.846154
126 BGC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
127 GLC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
128 BGC BGC XYS BGC XYS BGC XYS 0.541667 0.942857
129 NLC 0.540984 0.733333
130 5GO 0.540984 0.66
131 GAL NDG 0.540984 0.733333
132 NDG GAL 0.540984 0.733333
133 GLC GLC GLC G6D ADH GLC 0.536585 0.6875
134 GLC GLC FRU 0.536232 0.868421
135 GAL BGC BGC XYS 0.536232 0.942857
136 GLC BGC BGC BGC BGC BGC BGC 0.534483 1
137 GLC BGC BGC BGC 0.534483 1
138 DEL 0.534483 0.970588
139 BGC BGC BGC 0.534483 1
140 BGC BGC BGC BGC BGC 0.534483 1
141 BGC BGC BGC GLC BGC BGC 0.534483 1
142 BGC BGC BGC ASO BGC BGC ASO 0.534483 1
143 MVP 0.533333 0.733333
144 TRE 0.531915 1
145 GLC BGC BGC BGC XYS BGC XYS XYS 0.526316 0.916667
146 BMA MAN 0.526316 0.914286
147 BMA MAN MAN 0.52459 1
148 DMU 0.523077 0.785714
149 LMT 0.523077 0.785714
150 LMU 0.523077 0.785714
151 UMQ 0.523077 0.785714
152 NAG GAL BGC 0.521127 0.733333
153 GLC ACI GLD GLC 0.519481 0.785714
154 GLC G6D ACI GLC 0.519481 0.785714
155 GLC G6D ADH GLC 0.519481 0.785714
156 GLC ACI G6D BGC 0.519481 0.785714
157 GLC BGC BGC XYS BGC XYS XYS GAL 0.518519 0.942857
158 GAL BGC BGC BGC XYS XYS 0.518519 0.942857
159 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.518519 0.942857
160 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.518519 0.942857
161 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.518519 0.942857
162 FUC BGC GAL 0.515625 0.970588
163 SOR GLC GLC 0.515152 0.970588
164 RCB 0.514286 0.622642
165 GAL BGC NAG GAL 0.513889 0.733333
166 GAL GAL GLC EMB MEC 0.512195 0.622642
167 GLA MBG 0.509091 0.942857
168 6UZ 0.5 0.846154
169 GAC 0.5 0.767442
170 ACI GLD GLC GAL 0.5 0.785714
171 GLC AGL GLC HMC 0.5 0.717391
172 GAL GAL SO4 0.5 0.702128
173 GLO GLC GLC GLC 0.5 0.942857
174 DAF GLC GLC 0.5 0.785714
175 TXT 0.5 0.767442
176 MAN MAN BMA 0.5 1
177 DAF BGC GLC 0.5 0.785714
178 GLC GLC GLC PO4 SGC GLC 0.5 0.673469
179 GLC ACI GLD GAL 0.493827 0.733333
180 QV4 0.493827 0.733333
181 GLC ACI G6D GLC 0.493827 0.733333
182 NPJ 0.485714 0.622642
183 ACR 0.481013 0.733333
184 QPS 0.481013 0.733333
185 4MU BGC BGC BGC BGC 0.480519 0.767442
186 GAL NAG MAN 0.478873 0.733333
187 MAN NAG GAL 0.478873 0.733333
188 DOM 0.474576 0.942857
189 GLO GLC GLC 0.472222 0.942857
190 MAN BMA NAG 0.471429 0.733333
191 10M 0.471429 0.733333
192 GLA GAL NAG 0.471429 0.733333
193 NAG GAL GAL 0.471429 0.733333
194 8VZ 0.46875 0.673469
195 ACR GLC 0.468354 0.733333
196 ACR GLC GLC GLC GLC 0.468354 0.733333
197 FMO 0.467742 0.868421
198 4MU BGC BGC 0.467532 0.767442
199 MGL SGC GLC GLC 0.465753 0.868421
200 CM5 0.465753 0.891892
201 BGC BGC SGC MGL 0.465753 0.868421
202 NAG GAL GAL NAG GAL 0.460526 0.6875
203 CGC 0.460317 0.941176
204 MA4 0.459459 0.891892
205 5QP 0.459016 0.885714
206 BGC GLC AC1 GLC GLC GLC AC1 0.457831 0.75
207 ACI G6D GLC ACI G6D BGC 0.457831 0.75
208 ACI GLD GLC ACI G6D BGC 0.457831 0.75
209 AC1 GLC AC1 BGC 0.457831 0.75
210 DAF GLC DAF GLC GLC 0.457831 0.75
211 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.457831 0.75
212 GAL MBG 0.457627 0.942857
213 RZM 0.457627 0.688889
214 M13 0.457627 0.942857
215 MDM 0.457627 0.942857
216 LSE 0.457143 0.6875
217 GLA GAL NAG FUC GAL GLC 0.454545 0.717391
218 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.453488 0.680851
219 MAN MNM 0.451613 0.75
220 GTM BGC BGC 0.450704 0.868421
221 MAN MAN MAN MAN 0.449275 1
222 MAN MAN BMA MAN 0.449275 1
223 ACG 0.448276 0.695652
224 GLC GLC GLC GLC 0.447761 1
225 NAG BMA 0.447761 0.653061
226 FUC GAL NAG GAL BGC 0.447059 0.717391
227 GAL A2G 0.446154 0.733333
228 GAL NGA 0.446154 0.733333
229 A2G GAL 0.446154 0.733333
230 NOJ GLC 0.444444 0.727273
231 MAN BMA MAN MAN MAN 0.442857 1
232 M5S 0.442857 1
233 GAL NAG GAL NAG GAL NAG 0.441558 0.673469
234 NAG GAL GAL NAG 0.441558 0.6875
235 MAN MAN MAN GLC 0.441176 1
236 GLA GLC 0.440678 1
237 LAK 0.440678 1
238 MLB 0.440678 1
239 BMA GLA 0.440678 1
240 GLA BMA 0.440678 1
241 BGC GLA 0.440678 1
242 MAN BMA 0.440678 1
243 GLA BGC 0.440678 1
244 GAL GAL 0.440678 1
245 BGC SGC BGC SGC BGC SGC BGC SGC 0.438356 0.916667
246 TM6 0.438356 0.916667
247 ABL 0.4375 0.702128
248 BMA FRU 0.435484 0.842105
249 FRU GAL 0.435484 0.842105
250 NOY BGC 0.435484 0.75
251 DAF GLC 0.434211 0.785714
252 DAF BGC 0.434211 0.785714
253 FUC GAL GLA 0.432836 0.970588
254 FUC GLA GLA 0.432836 0.970588
255 GAL GAL FUC 0.432836 0.970588
256 GLA GLA FUC 0.432836 0.970588
257 GLA GAL FUC 0.432836 0.970588
258 A2G GAL BGC FUC 0.428571 0.717391
259 BGC OXZ 0.428571 0.666667
260 ISX 0.428571 0.761905
261 BMA IFM 0.428571 0.744186
262 IFM BGC 0.428571 0.744186
263 VAM 0.428571 0.868421
264 9MR 0.428571 0.744186
265 IFM BMA 0.428571 0.744186
266 GLF B8D 0.428571 0.775
267 GLC GAL NAG GAL FUC FUC 0.426966 0.702128
268 7SA 0.426966 0.702128
269 BGC GAL NAG GAL FUC FUC 0.426966 0.702128
270 MAN MAN MAN BMA MAN 0.426667 1
271 GLC GLC GLC 0.42623 1
272 GLC GLC GLC GLC BGC 0.42623 1
273 GLC GLC GLC GLC GLC BGC 0.42623 1
274 MAN MAN MAN 0.42623 1
275 GLC GLC XYS XYS 0.422535 0.914286
276 GLC DMJ 0.421875 0.727273
277 BMA BMA BMA BMA GLA BMA GLA 0.420455 0.846154
278 GCS GCS 0.419355 0.804878
279 PA1 GCS 0.419355 0.804878
280 3SA 0.417722 0.733333
281 HMC AGL GLC 0.417722 0.717391
282 BGC 0.416667 0.848485
283 GLC 0.416667 0.848485
284 GLA 0.416667 0.848485
285 XZZ BGC BGC 0.416667 0.702128
286 6SA 0.416667 0.733333
287 GIV 0.416667 0.848485
288 GXL 0.416667 0.848485
289 BMA 0.416667 0.848485
290 ALL 0.416667 0.848485
291 WOO 0.416667 0.848485
292 MAN 0.416667 0.848485
293 GAL 0.416667 0.848485
294 HSD G6D GLC HSD G6D GLC BGC 0.41573 0.702128
295 ACI G6D GLC ACI G6D GLC GLC 0.41573 0.702128
296 HSD G6D GLC HSD G6D GLC GLC 0.41573 0.702128
297 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.41573 0.702128
298 GAL NAG GAL 0.415584 0.702128
299 GCS GCS GCS GCS GCS GCS 0.415385 0.804878
300 GCS GCS GCS 0.415385 0.804878
301 GCS GCS GCS GCS GCS 0.415385 0.804878
302 P3M 0.414286 0.767442
303 MAN DGO 0.412698 0.914286
304 NAG NDG BMA 0.410256 0.634615
305 NAG NAG BMA 0.410256 0.634615
306 T6P 0.409836 0.767442
307 NAG MAN GAL MAN MAN NAG GAL 0.409091 0.6875
308 FUC BGC GAL NAG GAL 0.409091 0.717391
309 AMG 0.403846 0.857143
310 MBG 0.403846 0.857143
311 GYP 0.403846 0.857143
312 MMA 0.403846 0.857143
313 MAN 7D1 0.403226 0.888889
314 GAL MGC 0.402985 0.702128
315 GAL NGA A2G 0.402778 0.673469
316 MGL SGC BGC BGC 0.402299 0.622642
317 AGL GLC HMC AGL GLC BGC 0.402174 0.680851
318 FUC NDG GAL 0.4 0.717391
319 BGC BGC XYS BGC XYS GAL 0.4 0.916667
320 A2G GAL NAG FUC GAL GLC 0.4 0.673469
321 MBG A2G 0.4 0.702128
322 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.4 0.916667
323 GLC GAL NAG GAL FUC A2G 0.4 0.673469
324 AHR 0.4 0.742857
325 FUB 0.4 0.742857
326 A2G MBG 0.4 0.702128
327 RIB 0.4 0.742857
328 GAL NAG FUC 0.4 0.717391
329 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.4 0.916667
330 GAL NDG FUC 0.4 0.717391
331 32O 0.4 0.742857
332 FUC NAG GAL 0.4 0.717391
333 Z6J 0.4 0.742857
Ligand no: 3; Ligand: GLC GLC BGC; Similar ligands found: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GAL GLC 1 1
2 GLC GAL GAL 1 1
3 MAN MAN BMA BMA BMA BMA 1 1
4 CEX 1 1
5 MAN BMA BMA 1 1
6 CT3 1 1
7 MTT 1 1
8 BGC GLC GLC GLC 1 1
9 BGC BGC BGC GLC 1 1
10 GLC BGC GLC 1 1
11 CE8 1 1
12 MLR 1 1
13 BGC BGC BGC BGC BGC BGC BGC BGC BGC 1 1
14 GAL GAL GAL 1 1
15 BGC GLC GLC GLC GLC GLC GLC 1 1
16 MT7 1 1
17 GLC BGC BGC 1 1
18 CEY 1 1
19 BMA BMA BMA 1 1
20 GLC BGC BGC BGC BGC BGC 1 1
21 MAN BMA BMA BMA BMA 1 1
22 GLC GLC BGC GLC GLC GLC GLC 1 1
23 B4G 1 1
24 BGC GLC GLC 1 1
25 GLC GLC BGC 1 1
26 GLC GLC GLC GLC GLC GLC GLC 1 1
27 DXI 1 1
28 GLC BGC BGC BGC BGC 1 1
29 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
30 GLC GLC GLC GLC GLC 1 1
31 CTT 1 1
32 BMA BMA BMA BMA BMA 1 1
33 BMA BMA BMA BMA BMA BMA 1 1
34 BGC GLC GLC GLC GLC 1 1
35 BMA MAN BMA 1 1
36 CE5 1 1
37 CTR 1 1
38 CE6 1 1
39 BGC BGC BGC BGC BGC BGC 1 1
40 GLC GLC GLC GLC GLC GLC GLC GLC GLC 1 1
41 BMA BMA BMA BMA BMA BMA MAN 0.916667 0.970588
42 MAN BMA BMA BMA BMA BMA 0.916667 0.970588
43 BGC BMA 0.909091 1
44 LBT 0.909091 1
45 LAT 0.909091 1
46 GLC BGC 0.909091 1
47 GAL GLC 0.909091 1
48 BGC GAL 0.909091 1
49 MAB 0.909091 1
50 GLA GLA 0.909091 1
51 BMA GAL 0.909091 1
52 B2G 0.909091 1
53 N9S 0.909091 1
54 BGC GLC 0.909091 1
55 CBK 0.909091 1
56 GLA GAL 0.909091 1
57 BMA BMA 0.909091 1
58 GLC GAL 0.909091 1
59 CBI 0.909091 1
60 GAL BGC 0.909091 1
61 MAL MAL 0.909091 0.970588
62 MAL 0.909091 1
63 BGC BGC BGC BGC 0.830189 1
64 BGC BGC BGC BGC BGC BGC BGC BGC 0.830189 1
65 LAT GLA 0.765957 1
66 BMA BMA GLA BMA BMA 0.758621 1
67 GLA GAL GAL 0.754717 1
68 GLA GAL BGC 0.754717 1
69 GLC GLC GLC BGC 0.741379 1
70 BGC BGC GLC 0.735849 1
71 GLC GLC GLC GLC GLC GLC 0.677966 1
72 DR5 0.653846 0.942857
73 MMA MAN 0.653846 0.942857
74 NGA GAL BGC 0.650794 0.733333
75 GLA EGA 0.648148 0.942857
76 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.647059 0.942857
77 BGC BGC BGC XYS BGC BGC 0.647059 0.942857
78 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.647059 0.942857
79 ABD 0.637681 0.75
80 GAL NGA GLA BGC GAL 0.628571 0.733333
81 GLC GLC XYP 0.622951 1
82 GLA GAL BGC 5VQ 0.62069 0.891892
83 GLC GLC BGC XYS BGC XYS 0.617647 0.942857
84 G2F BGC BGC BGC BGC BGC 0.616667 0.868421
85 BGC BGC XYS BGC 0.61194 0.942857
86 MAL EDO 0.607143 0.942857
87 U63 0.6 0.891892
88 BGC BGC BGC XYS GAL 0.6 0.942857
89 NGA GLA GAL BGC 0.591549 0.733333
90 GLA GAL GLC NBU 0.590164 0.846154
91 M3M 0.584906 1
92 MAN GLC 0.584906 1
93 LB2 0.584906 1
94 GLC GAL NAG GAL 0.577465 0.733333
95 BGC GLA GAL FUC 0.573529 0.970588
96 OXZ BGC BGC 0.571429 0.6875
97 GAL FUC 0.571429 0.941176
98 GAL NAG GAL BGC 0.571429 0.733333
99 G2I 0.571429 0.767442
100 BGC GAL FUC 0.571429 0.970588
101 BMA BMA MAN 0.571429 0.970588
102 GLC GLC G6D ACI GLC GLC GLC 0.571429 0.785714
103 GLC GAL FUC 0.571429 0.970588
104 G3I 0.571429 0.767442
105 FUC LAT 0.571429 0.970588
106 BGC GAL NAG GAL 0.571429 0.733333
107 LAT FUC 0.571429 0.970588
108 FUC GAL GLC 0.571429 0.970588
109 LAT NAG GAL 0.571429 0.733333
110 2M4 0.566038 1
111 MAN MAN 0.566038 1
112 BGC BGC 0.566038 1
113 SGA BGC 0.559322 0.702128
114 GLC GLC XYS 0.553846 0.970588
115 BGC BGC BGC XYS BGC XYS GAL 0.545455 0.942857
116 GAL BGC BGC BGC XYS BGC XYS 0.545455 0.942857
117 SOR GLC GLC GLC 0.545455 0.970588
118 LAG 0.545455 0.6
119 ACR GLC GLC GLC 0.54321 0.733333
120 ARE 0.54321 0.733333
121 GLC GLC DAF BGC 0.54321 0.733333
122 GLC GLC ACI G6D GLC GLC 0.54321 0.733333
123 GLC GLC AGL HMC GLC 0.54321 0.733333
124 AAO 0.54321 0.733333
125 BGC BGC G2F SHG 0.542857 0.846154
126 BGC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
127 GLC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
128 BGC BGC XYS BGC XYS BGC XYS 0.541667 0.942857
129 NLC 0.540984 0.733333
130 5GO 0.540984 0.66
131 GAL NDG 0.540984 0.733333
132 NDG GAL 0.540984 0.733333
133 GLC GLC GLC G6D ADH GLC 0.536585 0.6875
134 GLC GLC FRU 0.536232 0.868421
135 GAL BGC BGC XYS 0.536232 0.942857
136 GLC BGC BGC BGC BGC BGC BGC 0.534483 1
137 GLC BGC BGC BGC 0.534483 1
138 DEL 0.534483 0.970588
139 BGC BGC BGC 0.534483 1
140 BGC BGC BGC BGC BGC 0.534483 1
141 BGC BGC BGC GLC BGC BGC 0.534483 1
142 BGC BGC BGC ASO BGC BGC ASO 0.534483 1
143 MVP 0.533333 0.733333
144 TRE 0.531915 1
145 GLC BGC BGC BGC XYS BGC XYS XYS 0.526316 0.916667
146 BMA MAN 0.526316 0.914286
147 BMA MAN MAN 0.52459 1
148 DMU 0.523077 0.785714
149 LMT 0.523077 0.785714
150 LMU 0.523077 0.785714
151 UMQ 0.523077 0.785714
152 NAG GAL BGC 0.521127 0.733333
153 GLC ACI GLD GLC 0.519481 0.785714
154 GLC G6D ACI GLC 0.519481 0.785714
155 GLC G6D ADH GLC 0.519481 0.785714
156 GLC ACI G6D BGC 0.519481 0.785714
157 GLC BGC BGC XYS BGC XYS XYS GAL 0.518519 0.942857
158 GAL BGC BGC BGC XYS XYS 0.518519 0.942857
159 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.518519 0.942857
160 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.518519 0.942857
161 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.518519 0.942857
162 FUC BGC GAL 0.515625 0.970588
163 SOR GLC GLC 0.515152 0.970588
164 RCB 0.514286 0.622642
165 GAL BGC NAG GAL 0.513889 0.733333
166 GAL GAL GLC EMB MEC 0.512195 0.622642
167 GLA MBG 0.509091 0.942857
168 6UZ 0.5 0.846154
169 GAC 0.5 0.767442
170 ACI GLD GLC GAL 0.5 0.785714
171 GLC AGL GLC HMC 0.5 0.717391
172 GAL GAL SO4 0.5 0.702128
173 GLO GLC GLC GLC 0.5 0.942857
174 DAF GLC GLC 0.5 0.785714
175 TXT 0.5 0.767442
176 MAN MAN BMA 0.5 1
177 DAF BGC GLC 0.5 0.785714
178 GLC GLC GLC PO4 SGC GLC 0.5 0.673469
179 GLC ACI GLD GAL 0.493827 0.733333
180 QV4 0.493827 0.733333
181 GLC ACI G6D GLC 0.493827 0.733333
182 NPJ 0.485714 0.622642
183 ACR 0.481013 0.733333
184 QPS 0.481013 0.733333
185 4MU BGC BGC BGC BGC 0.480519 0.767442
186 GAL NAG MAN 0.478873 0.733333
187 MAN NAG GAL 0.478873 0.733333
188 DOM 0.474576 0.942857
189 GLO GLC GLC 0.472222 0.942857
190 MAN BMA NAG 0.471429 0.733333
191 10M 0.471429 0.733333
192 GLA GAL NAG 0.471429 0.733333
193 NAG GAL GAL 0.471429 0.733333
194 8VZ 0.46875 0.673469
195 ACR GLC 0.468354 0.733333
196 ACR GLC GLC GLC GLC 0.468354 0.733333
197 FMO 0.467742 0.868421
198 4MU BGC BGC 0.467532 0.767442
199 MGL SGC GLC GLC 0.465753 0.868421
200 CM5 0.465753 0.891892
201 BGC BGC SGC MGL 0.465753 0.868421
202 NAG GAL GAL NAG GAL 0.460526 0.6875
203 CGC 0.460317 0.941176
204 MA4 0.459459 0.891892
205 5QP 0.459016 0.885714
206 BGC GLC AC1 GLC GLC GLC AC1 0.457831 0.75
207 ACI G6D GLC ACI G6D BGC 0.457831 0.75
208 ACI GLD GLC ACI G6D BGC 0.457831 0.75
209 AC1 GLC AC1 BGC 0.457831 0.75
210 DAF GLC DAF GLC GLC 0.457831 0.75
211 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.457831 0.75
212 GAL MBG 0.457627 0.942857
213 RZM 0.457627 0.688889
214 M13 0.457627 0.942857
215 MDM 0.457627 0.942857
216 LSE 0.457143 0.6875
217 GLA GAL NAG FUC GAL GLC 0.454545 0.717391
218 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.453488 0.680851
219 MAN MNM 0.451613 0.75
220 GTM BGC BGC 0.450704 0.868421
221 MAN MAN MAN MAN 0.449275 1
222 MAN MAN BMA MAN 0.449275 1
223 ACG 0.448276 0.695652
224 GLC GLC GLC GLC 0.447761 1
225 NAG BMA 0.447761 0.653061
226 FUC GAL NAG GAL BGC 0.447059 0.717391
227 GAL A2G 0.446154 0.733333
228 GAL NGA 0.446154 0.733333
229 A2G GAL 0.446154 0.733333
230 NOJ GLC 0.444444 0.727273
231 MAN BMA MAN MAN MAN 0.442857 1
232 M5S 0.442857 1
233 GAL NAG GAL NAG GAL NAG 0.441558 0.673469
234 NAG GAL GAL NAG 0.441558 0.6875
235 MAN MAN MAN GLC 0.441176 1
236 GLA GLC 0.440678 1
237 LAK 0.440678 1
238 MLB 0.440678 1
239 BMA GLA 0.440678 1
240 GLA BMA 0.440678 1
241 BGC GLA 0.440678 1
242 MAN BMA 0.440678 1
243 GLA BGC 0.440678 1
244 GAL GAL 0.440678 1
245 BGC SGC BGC SGC BGC SGC BGC SGC 0.438356 0.916667
246 TM6 0.438356 0.916667
247 ABL 0.4375 0.702128
248 BMA FRU 0.435484 0.842105
249 FRU GAL 0.435484 0.842105
250 NOY BGC 0.435484 0.75
251 DAF GLC 0.434211 0.785714
252 DAF BGC 0.434211 0.785714
253 FUC GAL GLA 0.432836 0.970588
254 FUC GLA GLA 0.432836 0.970588
255 GAL GAL FUC 0.432836 0.970588
256 GLA GLA FUC 0.432836 0.970588
257 GLA GAL FUC 0.432836 0.970588
258 A2G GAL BGC FUC 0.428571 0.717391
259 BGC OXZ 0.428571 0.666667
260 ISX 0.428571 0.761905
261 BMA IFM 0.428571 0.744186
262 IFM BGC 0.428571 0.744186
263 VAM 0.428571 0.868421
264 9MR 0.428571 0.744186
265 IFM BMA 0.428571 0.744186
266 GLF B8D 0.428571 0.775
267 GLC GAL NAG GAL FUC FUC 0.426966 0.702128
268 7SA 0.426966 0.702128
269 BGC GAL NAG GAL FUC FUC 0.426966 0.702128
270 MAN MAN MAN BMA MAN 0.426667 1
271 GLC GLC GLC 0.42623 1
272 GLC GLC GLC GLC BGC 0.42623 1
273 GLC GLC GLC GLC GLC BGC 0.42623 1
274 MAN MAN MAN 0.42623 1
275 GLC GLC XYS XYS 0.422535 0.914286
276 GLC DMJ 0.421875 0.727273
277 BMA BMA BMA BMA GLA BMA GLA 0.420455 0.846154
278 GCS GCS 0.419355 0.804878
279 PA1 GCS 0.419355 0.804878
280 3SA 0.417722 0.733333
281 HMC AGL GLC 0.417722 0.717391
282 BGC 0.416667 0.848485
283 GLC 0.416667 0.848485
284 GLA 0.416667 0.848485
285 XZZ BGC BGC 0.416667 0.702128
286 6SA 0.416667 0.733333
287 GIV 0.416667 0.848485
288 GXL 0.416667 0.848485
289 BMA 0.416667 0.848485
290 ALL 0.416667 0.848485
291 WOO 0.416667 0.848485
292 MAN 0.416667 0.848485
293 GAL 0.416667 0.848485
294 HSD G6D GLC HSD G6D GLC BGC 0.41573 0.702128
295 ACI G6D GLC ACI G6D GLC GLC 0.41573 0.702128
296 HSD G6D GLC HSD G6D GLC GLC 0.41573 0.702128
297 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.41573 0.702128
298 GAL NAG GAL 0.415584 0.702128
299 GCS GCS GCS GCS GCS GCS 0.415385 0.804878
300 GCS GCS GCS 0.415385 0.804878
301 GCS GCS GCS GCS GCS 0.415385 0.804878
302 P3M 0.414286 0.767442
303 MAN DGO 0.412698 0.914286
304 NAG NDG BMA 0.410256 0.634615
305 NAG NAG BMA 0.410256 0.634615
306 T6P 0.409836 0.767442
307 NAG MAN GAL MAN MAN NAG GAL 0.409091 0.6875
308 FUC BGC GAL NAG GAL 0.409091 0.717391
309 AMG 0.403846 0.857143
310 MBG 0.403846 0.857143
311 GYP 0.403846 0.857143
312 MMA 0.403846 0.857143
313 MAN 7D1 0.403226 0.888889
314 GAL MGC 0.402985 0.702128
315 GAL NGA A2G 0.402778 0.673469
316 MGL SGC BGC BGC 0.402299 0.622642
317 AGL GLC HMC AGL GLC BGC 0.402174 0.680851
318 FUC NDG GAL 0.4 0.717391
319 BGC BGC XYS BGC XYS GAL 0.4 0.916667
320 A2G GAL NAG FUC GAL GLC 0.4 0.673469
321 MBG A2G 0.4 0.702128
322 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.4 0.916667
323 GLC GAL NAG GAL FUC A2G 0.4 0.673469
324 AHR 0.4 0.742857
325 FUB 0.4 0.742857
326 A2G MBG 0.4 0.702128
327 RIB 0.4 0.742857
328 GAL NAG FUC 0.4 0.717391
329 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.4 0.916667
330 GAL NDG FUC 0.4 0.717391
331 32O 0.4 0.742857
332 FUC NAG GAL 0.4 0.717391
333 Z6J 0.4 0.742857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5A04; Ligand: BGC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5a04.bio1) has 59 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5A04; Ligand: BGC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5a04.bio1) has 62 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5A04; Ligand: NDP; Similar sites found: 121
This union binding pocket(no: 3) in the query (biounit: 5a04.bio1) has 61 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5UDS ATP 0.04539 0.4139 1.3986
2 5VN0 NAI 0.001563 0.44641 1.47493
3 1RYO OXL 0.03547 0.40404 1.52905
4 1L1E SAH 0.02589 0.40561 1.74216
5 1LJ8 NAD 0.0002963 0.49239 1.76991
6 1M2W NAD 0.0004271 0.48126 1.76991
7 4YCA NDP 0.0001244 0.49357 2.04082
8 5GZ6 NDP 0.00006349 0.52777 2.14724
9 5GZ6 7C3 0.00007251 0.51599 2.14724
10 2AHR NAP 0.001355 0.4378 2.3166
11 5TS5 FAD 0.002225 0.40727 2.35988
12 1CER NAD 0.0005521 0.46581 2.41692
13 1KYQ NAD 0.00001339 0.57656 2.55474
14 1U3U NAD 0.0009992 0.41742 2.65487
15 1U3U BNF 0.0009992 0.41742 2.65487
16 3QJ4 FAD 0.002444 0.41173 2.65487
17 1F8G NAD 0.02175 0.40658 2.65487
18 1Z82 NDP 0.003017 0.43142 2.68657
19 2CVZ NDP 0.00009812 0.49799 2.76817
20 3ORF NAD 0.003506 0.42607 2.78884
21 1OMO NAD 0.00003552 0.52544 2.79503
22 4XDY NAI 0.001509 0.44707 2.95858
23 2Q46 NAP 0.004061 0.42341 3.16206
24 5H81 NAP 0.00001608 0.55044 3.24484
25 4GKV NAD 0.001107 0.43362 3.24484
26 2IVD FAD 0.00221 0.41756 3.24484
27 2C29 NAP 0.008412 0.41023 3.2641
28 1NPD NAD 0.003091 0.43944 3.47222
29 1X14 NAD 0.004074 0.45385 3.53982
30 4XQC 13D 0.002195 0.40193 3.53982
31 4XQC NAD 0.002555 0.40148 3.53982
32 1EQ2 NAP 0.007098 0.41099 3.54839
33 3V1Y NAD 0.0003617 0.47369 3.56083
34 2F1K NAP 0.000001429 0.40182 3.58423
35 2Q1W NAD 0.005364 0.40925 3.6036
36 1NYT NAP 0.001322 0.45262 3.69004
37 2I3G NAP 0.001555 0.43538 3.83481
38 3IHG FAD 0.004948 0.41984 3.83481
39 1OBB NAD 0.01279 0.41201 3.83481
40 1U8X NAD 0.01303 0.4068 3.83481
41 5JWC FAD 0.005301 0.40528 3.83481
42 4XYB NDP 0.001961 0.42403 3.83632
43 2OOR NAD 0.01814 0.41024 4.02299
44 3LU1 NAD 0.007571 0.40984 4.12088
45 3DXY SAM 0.003384 0.47032 4.12844
46 3OJO NAD 0.00007247 0.516 4.12979
47 4CMI NAP 0.00935 0.40831 4.16667
48 3JQG NAP 0.01139 0.40699 4.16667
49 4CM8 NAP 0.0105 0.40621 4.16667
50 3JQB NAP 0.01272 0.40495 4.16667
51 5JCJ NAP 0.01172 0.40421 4.16667
52 3JQ8 NAP 0.0116 0.40223 4.16667
53 3BMN NAP 0.0117 0.40208 4.16667
54 4CM4 NAP 0.01355 0.40158 4.16667
55 2Q0L NAP 0.001094 0.48651 4.18006
56 3KB6 NAD 0.0007417 0.45716 4.19162
57 1HYH NAD 0.0001581 0.47541 4.20712
58 1DJN ADP 0.0007797 0.46947 4.42478
59 1Y8Q ATP 0.001575 0.45243 4.42478
60 1P31 EPU 0.01132 0.4286 4.42478
61 2FKA BEF 0.009038 0.45165 4.65116
62 4RL4 PPV 0.04386 0.42552 4.71698
63 4DPL NAP 0.001925 0.43423 4.71976
64 4G74 FAD 0.004619 0.40553 4.71976
65 4RDH AMP 0.000208 0.52285 4.86111
66 3GFB NAD 0.0002216 0.47932 5.01475
67 1QMG APX 0.001151 0.46185 5.01475
68 2HNK SAH 0.01907 0.41188 5.02092
69 5JE8 NAD 0.000105 0.50058 5.29801
70 5CAE COA 0.0001033 0.50489 5.30973
71 1CDO NAD 0.0004071 0.47148 5.30973
72 5CAE SIN 0.0004857 0.45012 5.30973
73 4K28 NAD 0.00001632 0.53583 5.57621
74 2PV7 NAD 0.00003308 0.51419 5.7047
75 3WMX NAD 0.001728 0.44454 5.8997
76 1W73 NAP 0.01157 0.41395 5.96026
77 2XG5 EC5 0.009403 0.46221 5.9633
78 2XG5 EC2 0.009403 0.46221 5.9633
79 4ZRN NAD 0.003369 0.41495 6.08974
80 1D1T NAD 0.0002082 0.46751 6.19469
81 3L4S NAD 0.002217 0.42669 6.25
82 3L4S 3PG 0.002676 0.42109 6.25
83 3OA2 NAD 0.00000001889 0.64505 6.28931
84 5MDH NAD 0.002129 0.43782 6.30631
85 1E3I CXF 0.0004727 0.44269 6.48968
86 2DT5 NAD 0.00001006 0.53175 6.63507
87 5N53 8NB 0.02538 0.43584 6.66667
88 2CVQ NDP 0.001632 0.43989 6.72783
89 2VYN NAD 0.0003357 0.46844 6.94864
90 1XHC FAD 0.004865 0.40468 7.08447
91 3EGI ADP 0.0309 0.4308 7.28155
92 1E5Q NDP 0.0001046 0.48949 7.37463
93 2D2I NAP 0.001082 0.46306 7.37463
94 2GV8 NDP 0.001101 0.45933 7.37463
95 2GV8 FAD 0.006957 0.40277 7.37463
96 3GD4 NAD 0.007 0.42644 7.66962
97 4IAW LIZ 0.01878 0.43481 7.97872
98 3OFK SAH 0.02549 0.41427 8.33333
99 2BOS GLA GAL GLC 0.03022 0.43295 8.82353
100 2BOS GLA GAL GLC NBU 0.03604 0.42792 8.82353
101 3GDH SAH 0.01972 0.40361 9.12863
102 5MQ6 NDP 0.000545 0.47649 9.14454
103 1P77 ATR 0.00006341 0.5825 9.92647
104 1FWV SGA MAG FUC 0.004813 0.48532 10.4478
105 4II2 ATP 0.00264 0.45215 10.8434
106 5FI3 NAP 0.001217 0.44239 11.2045
107 1J49 NAD 0.0002681 0.4725 11.4114
108 3EGV SAH 0.01366 0.42779 11.5646
109 1RPN NDP 0.007768 0.40502 12.8358
110 1MV8 NAD 0.0001188 0.49442 12.9794
111 1MUU NAD 0.0002462 0.48444 12.9794
112 2D5A COA 0.001677 0.45446 13.1944
113 2FR1 NDP 0.001751 0.43077 13.8643
114 3O9Z NAD 0.0000002016 0.53457 19.2308
115 3O9Z AKG 0.000001091 0.51332 19.2308
116 1LSS NAD 0.0001719 0.50758 23.5714
117 4L8V NAP 0.000001491 0.42062 28.7834
118 2GLX NDP 0.00000002862 0.43504 41.8675
119 3RC1 NAP 0.00000003527 0.59285 43.0678
120 3RC1 TLO 0.0000001457 0.58333 43.0678
121 1ZH8 NAP 0.000000008211 0.45766 45.1327
Pocket No.: 4; Query (leader) PDB : 5A04; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5a04.bio1) has 57 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5A04; Ligand: BGC; Similar sites found: 119
This union binding pocket(no: 5) in the query (biounit: 5a04.bio1) has 66 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5VN0 NAI 0.001914 0.44641 1.47493
2 1RYO OXL 0.03952 0.40404 1.52905
3 1L1E SAH 0.0302 0.40561 1.74216
4 1LJ8 NAD 0.0003904 0.49101 1.76991
5 1M2W NAD 0.0005253 0.48126 1.76991
6 4YCA NDP 0.0001568 0.49357 2.04082
7 5GZ6 NDP 0.00007912 0.52777 2.14724
8 5GZ6 7C3 0.00009094 0.51599 2.14724
9 2AHR NAP 0.001683 0.4378 2.3166
10 5TS5 FAD 0.002834 0.40727 2.35988
11 1CER NAD 0.0006841 0.46581 2.41692
12 1KYQ NAD 0.00001675 0.57656 2.55474
13 1U3U NAD 0.001291 0.41742 2.65487
14 1U3U BNF 0.001291 0.41742 2.65487
15 3QJ4 FAD 0.003079 0.41173 2.65487
16 1F8G NAD 0.0255 0.40658 2.65487
17 1Z82 NDP 0.003677 0.43142 2.68657
18 2CVZ NDP 0.000124 0.49799 2.76817
19 3ORF NAD 0.004277 0.42607 2.78884
20 1OMO NAD 0.00004508 0.52544 2.79503
21 4XDY NAI 0.001848 0.44707 2.95858
22 2Q46 NAP 0.004945 0.42341 3.16206
23 5H81 NAP 0.00002042 0.55044 3.24484
24 4GKV NAD 0.001392 0.43362 3.24484
25 2IVD FAD 0.002771 0.41756 3.24484
26 2C29 NAP 0.01015 0.41023 3.2641
27 1NPD NAD 0.003731 0.43944 3.47222
28 1X14 NAD 0.00481 0.45385 3.53982
29 4XQC 13D 0.002788 0.40211 3.53982
30 4XQC NAD 0.003394 0.40091 3.53982
31 1EQ2 NAP 0.008609 0.41099 3.54839
32 3V1Y NAD 0.0004504 0.47369 3.56083
33 2Q1W NAD 0.006587 0.40925 3.6036
34 1NYT NAP 0.001616 0.45262 3.69004
35 2I3G NAP 0.001928 0.43538 3.83481
36 3IHG FAD 0.006011 0.41984 3.83481
37 1OBB NAD 0.01518 0.41201 3.83481
38 1U8X NAD 0.01555 0.4068 3.83481
39 5JWC FAD 0.006549 0.40528 3.83481
40 4XYB NDP 0.002447 0.42403 3.83632
41 2OOR NAD 0.02131 0.41024 4.02299
42 3LU1 NAD 0.009175 0.40984 4.12088
43 3DXY SAM 0.003963 0.47032 4.12844
44 3OJO NAD 0.00009088 0.516 4.12979
45 4CMI NAP 0.01127 0.40831 4.16667
46 3JQG NAP 0.01365 0.40699 4.16667
47 4CM8 NAP 0.01263 0.40621 4.16667
48 3JQB NAP 0.01523 0.40495 4.16667
49 5JCJ NAP 0.01409 0.40421 4.16667
50 3JQ8 NAP 0.01397 0.40223 4.16667
51 3BMN NAP 0.01409 0.40208 4.16667
52 4CM4 NAP 0.01625 0.40158 4.16667
53 2Q0L NAP 0.001305 0.48651 4.18006
54 3KB6 NAD 0.000919 0.45716 4.19162
55 1HYH NAD 0.0002017 0.47541 4.20712
56 1DJN ADP 0.0009527 0.46947 4.42478
57 1Y8Q ATP 0.001916 0.45243 4.42478
58 1P31 EPU 0.01326 0.4286 4.42478
59 2FKA BEF 0.01019 0.45165 4.65116
60 4RL4 PPV 0.04894 0.42552 4.71698
61 4DPL NAP 0.002373 0.43423 4.71976
62 4G74 FAD 0.005734 0.40553 4.71976
63 4RDH AMP 0.0002522 0.52285 4.86111
64 3GFB NAD 0.0002785 0.47932 5.01475
65 1QMG APX 0.0014 0.46185 5.01475
66 2HNK SAH 0.02233 0.41188 5.02092
67 5JE8 NAD 0.0001322 0.50058 5.29801
68 5CAE COA 0.0001296 0.50489 5.30973
69 1CDO NAD 0.0005062 0.47148 5.30973
70 5CAE SIN 0.000612 0.45021 5.30973
71 4K28 NAD 0.00002097 0.53583 5.57621
72 2PV7 NAD 0.00004251 0.51419 5.7047
73 3WMX NAD 0.002113 0.44454 5.8997
74 1W73 NAP 0.01375 0.41395 5.96026
75 2XG5 EC2 0.01064 0.46221 5.9633
76 2XG5 EC5 0.01064 0.46221 5.9633
77 4ZRN NAD 0.004175 0.41495 6.08974
78 1D1T NAD 0.0002656 0.46751 6.19469
79 3L4S NAD 0.002746 0.42669 6.25
80 3L4S 3PG 0.003317 0.42109 6.25
81 3OA2 NAD 0.00000002664 0.64505 6.28931
82 5MDH NAD 0.002605 0.43782 6.30631
83 1E3I CXF 0.0006051 0.44269 6.48968
84 2DT5 NAD 0.00001316 0.53175 6.63507
85 5N53 8NB 0.02876 0.43584 6.66667
86 2CVQ NDP 0.002009 0.43989 6.72783
87 2VYN NAD 0.0004213 0.46844 6.94864
88 1XHC FAD 0.006442 0.40361 7.08447
89 3EGI ADP 0.03505 0.4308 7.28155
90 1E5Q NDP 0.0001331 0.48949 7.37463
91 2D2I NAP 0.001317 0.46306 7.37463
92 2GV8 NDP 0.001245 0.46083 7.37463
93 2GV8 FAD 0.008539 0.40277 7.37463
94 3GD4 NAD 0.008343 0.42644 7.66962
95 4IAW LIZ 0.02155 0.43481 7.97872
96 3OFK SAH 0.0295 0.41427 8.33333
97 2BOS GLA GAL GLC 0.03396 0.43295 8.82353
98 2BOS GLA GAL GLC NBU 0.04043 0.42792 8.82353
99 3GDH SAH 0.02327 0.40361 9.12863
100 5MQ6 NDP 0.0006685 0.47649 9.14454
101 1P77 ATR 0.00007614 0.5825 9.92647
102 1FWV SGA MAG FUC 0.0055 0.48532 10.4478
103 4II2 ATP 0.003162 0.45215 10.8434
104 5FI3 NAP 0.001508 0.44239 11.2045
105 1J49 NAD 0.0003374 0.4725 11.4114
106 3EGV SAH 0.01592 0.42779 11.5646
107 1RPN NDP 0.009465 0.40502 12.8358
108 1MV8 NAD 0.0001499 0.49442 12.9794
109 1MUU NAD 0.0003069 0.48444 12.9794
110 2D5A COA 0.002032 0.45446 13.1944
111 2FR1 NDP 0.002175 0.43077 13.8643
112 3O9Z NAD 0.0000002986 0.53457 19.2308
113 3O9Z AKG 0.000001569 0.51332 19.2308
114 1LSS NAD 0.000212 0.50758 23.5714
115 4L8V NAP 0.000002005 0.40406 28.7834
116 2GLX NDP 0.00000003934 0.41669 41.8675
117 3RC1 NAP 0.00000005033 0.59321 43.0678
118 3RC1 TLO 0.0000002054 0.58333 43.0678
119 1ZH8 NAP 0.00000001163 0.43732 45.1327
Pocket No.: 6; Query (leader) PDB : 5A04; Ligand: BGC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5a04.bio3) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5A04; Ligand: BGC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 5a04.bio3) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5A04; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5a04.bio3) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5A04; Ligand: BGC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 5a04.bio3) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 5A04; Ligand: BGC; Similar sites found: 8
This union binding pocket(no: 10) in the query (biounit: 5a04.bio3) has 59 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5UDS ATP 0.03831 0.41662 1.3986
2 3GGO ENO 0.0001366 0.40469 2.2293
3 3GGO NAI 0.0001366 0.40469 2.2293
4 1VL8 NAP 0.008316 0.40031 3.37079
5 2F1K NAP 0.000001046 0.41068 3.58423
6 2YN4 39J 0.03387 0.42867 6.35593
7 2YIP YIO 0.04879 0.41825 7.97101
8 3Q2K HP7 0.04261 0.41074 43.3628
Pocket No.: 11; Query (leader) PDB : 5A04; Ligand: NDP; Similar sites found: 7
This union binding pocket(no: 11) in the query (biounit: 5a04.bio3) has 57 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GGO NAI 0.0001489 0.40841 2.2293
2 3GGO ENO 0.0001489 0.40841 2.2293
3 2JHF NAD 0.008868 0.40232 2.94985
4 1VL8 NAP 0.007597 0.40031 3.37079
5 2YN4 39J 0.0321 0.42867 6.35593
6 2YIP YIO 0.04647 0.41825 7.97101
7 3Q2K HP7 0.04379 0.40874 43.3628
Pocket No.: 12; Query (leader) PDB : 5A04; Ligand: BGC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 5a04.bio2) has 58 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 5A04; Ligand: BGC; Similar sites found: 3
This union binding pocket(no: 13) in the query (biounit: 5a04.bio2) has 60 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5T46 MGP 0.03039 0.42688 5
2 5BXV MGP 0.02679 0.42527 5.72917
3 3GD4 FAD 0.005413 0.401 7.66962
Pocket No.: 14; Query (leader) PDB : 5A04; Ligand: NDP; Similar sites found: 3
This union binding pocket(no: 14) in the query (biounit: 5a04.bio2) has 60 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5T46 MGP 0.03039 0.42688 5
2 5BXV MGP 0.02679 0.42527 5.72917
3 3GD4 FAD 0.005413 0.401 7.66962
Pocket No.: 15; Query (leader) PDB : 5A04; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 5a04.bio2) has 56 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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