Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DIO C:1344;
E:1343;
A:1342;
C:1343;
F:1343;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
88.105 C4 H8 O2 C1COC...
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(...
BGC A:1341;
C:1342;
D:1341;
F:1342;
C:1341;
E:1342;
E:1341;
B:1341;
F:1341;
Valid;
Valid;
Valid;
Valid;
Valid;
Invalid;
Valid;
Valid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
SO4 E:1344;
B:1342;
C:1345;
D:1342;
F:1344;
A:1343;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
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: BGC; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
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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