Receptor
PDB id Resolution Class Description Source Keywords
2C29 1.81 Å EC: 1.1.1.219 STRUCTURE OF DIHYDROFLAVONOL REDUCTASE FROM VITIS VINIFERA AT 1.8 A. VITIS VINIFERA FLAVONOIDS SHORT DEHYDROGENASE REDUCTASE NADPH DIHYDROQUERCETIN ROSSMANN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF GRAPE DIHYDROFLAVONOL 4-REDUCTASE, A KEY ENZYME IN FLAVONOID BIOSYNTHESIS. J.MOL.BIOL. V. 368 1345 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DQH D:1331;
F:1332;
Valid;
Valid;
none;
none;
submit data
304.252 C15 H12 O7 c1cc(...
NAP D:1330;
F:1331;
Valid;
Valid;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2C29 1.81 Å EC: 1.1.1.219 STRUCTURE OF DIHYDROFLAVONOL REDUCTASE FROM VITIS VINIFERA AT 1.8 A. VITIS VINIFERA FLAVONOIDS SHORT DEHYDROGENASE REDUCTASE NADPH DIHYDROQUERCETIN ROSSMANN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF GRAPE DIHYDROFLAVONOL 4-REDUCTASE, A KEY ENZYME IN FLAVONOID BIOSYNTHESIS. J.MOL.BIOL. V. 368 1345 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2C29 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 3C1T - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2C29 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 3C1T - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2C29 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 3C1T - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4R1S - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DQH; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 DQH 1 1
2 DH2 1 1
3 KXN 0.434783 0.875
4 28E 0.434783 0.875
Ligand no: 2; Ligand: NAP; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2C29; Ligand: NAP; Similar sites found: 362
This union binding pocket(no: 1) in the query (biounit: 2c29.bio1) has 44 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1LPD ADE 0.03135 0.4146 1.1811
2 1V6A TRE 0.00134 0.49882 1.20482
3 2B4R NAD 0.0006138 0.44136 1.48368
4 5GWE GWM 0.02304 0.42979 1.48368
5 2B4R AES 0.001513 0.42871 1.48368
6 1PR9 NAP 0.0000004456 0.48281 1.63934
7 3D3W NAP 0.000001087 0.47233 1.63934
8 2AWN ADP 0.01094 0.44654 1.78042
9 4RQU NAD 0.0008075 0.44244 1.78042
10 1GCK ASP PLP 0.02657 0.40517 1.78042
11 2IXB NAD 0.005351 0.40462 1.78042
12 5JAQ NAI 0.0008027 0.40195 1.78042
13 2Q2V NAD 0.000007624 0.44719 1.96078
14 1W8D NAP 0.0000002534 0.60594 1.98676
15 1W73 NAP 0.0000002615 0.60536 1.98676
16 1W6U NAP 0.0000001728 0.45558 1.98676
17 1WP4 NDP 0.002253 0.4272 2.07612
18 2CVZ NDP 0.00841 0.40616 2.07612
19 1LVL NAD 0.007929 0.42092 2.07715
20 4GKV NAD 0.001478 0.41895 2.07715
21 1F8G NAD 0.01728 0.40278 2.07715
22 1I0Z NAI 0.001123 0.43384 2.1021
23 2BGM NAJ 0.0000002224 0.46634 2.15827
24 1BDB NAD 0.000005751 0.51261 2.16606
25 4FC7 NAP 0.000003092 0.48522 2.16606
26 4FC7 COA 0.000003092 0.48522 2.16606
27 2PD4 DCN 0.0002805 0.40693 2.18182
28 2PD4 NAD 0.0003136 0.4061 2.18182
29 1E3W NAD 0.0000002658 0.57758 2.29885
30 1G6H ADP 0.03149 0.42019 2.33463
31 2PV7 NAD 0.001793 0.43126 2.34899
32 1XHL NDP 0.000003766 0.45276 2.3569
33 3H9E NAD 0.0006883 0.45145 2.37389
34 1BW9 NAD 0.003051 0.4365 2.37389
35 4R5M NAP 0.001706 0.42935 2.37389
36 2W8Q SIN 0.02629 0.42353 2.37389
37 1C1X NAD 0.004228 0.41862 2.37389
38 1D1T NAD 0.002163 0.41752 2.37389
39 4R5M 4NO 0.004724 0.40673 2.37389
40 3AXI GLC 0.03238 0.40098 2.37389
41 2B5W NAP 0.004034 0.40055 2.37389
42 3KB6 NAD 0.006629 0.40798 2.39521
43 2EWM NAD 0.000001811 0.5401 2.40964
44 1PZG A3D 0.0009929 0.41824 2.41692
45 2JAH NDP 0.000002299 0.4547 2.42915
46 1C3V NDP 0.001629 0.4248 2.44898
47 4TQG NDP 0.0000003399 0.47231 2.47678
48 3OA2 NAD 0.003092 0.41894 2.51572
49 1MXH DHF 0.0000006362 0.49389 2.53623
50 1MXH NAP 0.0000007473 0.49251 2.53623
51 1YJQ NAP 0.0008243 0.43098 2.64026
52 3B1J NAD 0.001617 0.42756 2.67062
53 4DPL NAP 0.002031 0.42364 2.67062
54 2I3G NAP 0.002773 0.41578 2.67062
55 4FN4 NAD 0.000000353 0.5727 2.75591
56 4OHU NAD 0.0001659 0.44205 2.76817
57 4OHU 2TK 0.0001659 0.44205 2.76817
58 2NU8 COA 0.003686 0.4211 2.77778
59 3O26 NDP 0.000001291 0.45955 2.89389
60 1MUU NAD 0.000686 0.4548 2.96736
61 3V1U NAD 0.0000006867 0.44773 2.96736
62 4EUE NAI 0.0001474 0.40677 2.96736
63 3GLC R5P 0.02615 0.41519 3.05085
64 5EPO NAP 0.000006022 0.44163 3.05344
65 1NFQ NAI 0.0000001645 0.49148 3.07692
66 1A27 NAP 0.0000272 0.42438 3.11419
67 4O1M NAD 0.0001072 0.40687 3.1746
68 3GGO ENO 0.0006255 0.40839 3.18471
69 3GGO NAI 0.0006255 0.40839 3.18471
70 3ORF NAD 0.000004624 0.43636 3.18725
71 4NBU NAI 0.0000005034 0.5618 3.2
72 1U1I NAD 0.0002744 0.44623 3.2641
73 3LJU IP9 0.02206 0.4381 3.2641
74 3JV7 NAD 0.002532 0.41984 3.2641
75 1NYT NAP 0.004985 0.41831 3.32103
76 1VI2 NAD 0.01172 0.41034 3.33333
77 2HJR APR 0.0001528 0.49031 3.35366
78 1NPD NAD 0.01412 0.40154 3.47222
79 3OQJ 3CX 0.006815 0.44963 3.50195
80 2Q0L NAP 0.012 0.42532 3.53698
81 3V1Y NAD 0.0002343 0.47093 3.56083
82 1VKO NAD 0.001746 0.4211 3.56083
83 4B7X NAP 0.00446 0.40104 3.57143
84 4XB2 HSE 0.0001957 0.40187 3.58209
85 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.02519 0.42427 3.63289
86 5JE8 NAD 0.005197 0.41754 3.64238
87 2JAP NDP 0.0000005962 0.55893 3.64372
88 2JAP J01 0.01054 0.44401 3.64372
89 4HXY NDP 0.000000162 0.48555 3.65297
90 1EDO NAP 0.0000003808 0.48025 3.68852
91 1SNY NAP 0.00002362 0.41589 3.74532
92 1ORR NAD 0.00000004815 0.51139 3.7464
93 3B1F NAD 0.0009318 0.45948 3.7931
94 2BH9 NAP 0.0008602 0.48166 3.85757
95 3ABI NAD 0.00117 0.43314 3.85757
96 2V6G NAP 0.00001588 0.43079 3.85757
97 4KOA NDP 0.003683 0.44671 3.9039
98 3ZV6 NAD 0.000003731 0.49141 3.91459
99 3ZV6 4HB 0.000003857 0.48778 3.91459
100 3W5J GDP 0.01661 0.44242 3.92157
101 1LDM NAD 0.001976 0.42411 3.95137
102 1V35 NAI 0.0004841 0.42006 3.95137
103 2CVQ NDP 0.0007354 0.44408 3.97554
104 1GZ6 NAI 0.0000571 0.48161 4.07523
105 2XYQ SAH 0.01774 0.41065 4.09836
106 2GDZ NAD 0.0000006982 0.46487 4.11985
107 3GFB NAD 0.00273 0.42378 4.1543
108 3H4V DVP 0.000001219 0.49828 4.16667
109 3H4V NAP 0.00000207 0.48798 4.16667
110 1X14 NAD 0.007827 0.43091 4.2394
111 3WBF NAP 0.001368 0.43322 4.2623
112 3WBF API 0.001508 0.42105 4.2623
113 1FK8 NAD 0.000003139 0.55379 4.28016
114 4RW3 TDA 0.03244 0.43147 4.30464
115 3RJ5 NAD 0.000001194 0.51876 4.33071
116 2RH4 EMO 0.0000001042 0.52638 4.33213
117 1AE1 NAP 0.000004195 0.45642 4.3956
118 4YCA NDP 0.001715 0.43495 4.42177
119 2IZ1 ATR 0.00771 0.45357 4.45104
120 1GQ2 NAP 0.00886 0.40047 4.45104
121 4ITU NAI 0.000003375 0.52137 4.46097
122 4ITU 1HS 0.000001146 0.50534 4.46097
123 3BAZ NAP 0.001139 0.44547 4.5045
124 1HDG NAD 0.001601 0.43922 4.51807
125 2YVJ NAI 0.006963 0.42992 4.58716
126 5CG1 NAD BBN 0.0008091 0.42251 4.59016
127 5GZ6 NDP 0.01027 0.41579 4.60123
128 5GZ6 7C3 0.009489 0.41168 4.60123
129 1E6W NAD 0.0000002765 0.5769 4.61538
130 1XSE NDP 0.00000006067 0.53482 4.74576
131 1E3I CXF 0.001628 0.41278 4.74777
132 1F8F NAD 0.00692 0.41227 4.74777
133 1ZMD NAI 0.01057 0.40445 4.74777
134 5T9F TYR 0.0006293 0.40028 4.79705
135 3O03 NAP 0.000001285 0.44749 4.811
136 2GLX NDP 0.005477 0.41932 4.81928
137 4K28 NAD 0.00244 0.43146 4.83271
138 1ZBQ NAD 0.000008879 0.50926 4.89297
139 1G0N PHH 0.0000004481 0.51001 4.947
140 1G0N NDP 0.0000003935 0.50246 4.947
141 4D42 NAP 0.00003691 0.45927 4.96454
142 4D42 W0I 0.00003691 0.45927 4.96454
143 2ZAT NAP 0.000002964 0.45252 5
144 4U7W NDP 0.0000000002886 0.54389 5.04451
145 1O94 ADP 0.005721 0.4185 5.04451
146 1J78 VDY 0.04535 0.40956 5.04451
147 3OJF IMJ 0.0000846 0.43649 5.05837
148 3OJF NDP 0.0001935 0.41356 5.05837
149 2B4Q NAP 0.000007229 0.52072 5.07246
150 3ICC NAP 0.000001175 0.54301 5.09804
151 4IXW IXW 0.01868 0.43057 5.11811
152 9LDB NAD 0.001185 0.43021 5.12048
153 1HYH NAD 0.002242 0.41938 5.17799
154 3HB5 NAP 0.00000007378 0.5172 5.19878
155 3HB5 E2B 0.002496 0.43404 5.19878
156 1GEE NAD 0.0000002863 0.5763 5.36398
157 1QG6 NAD 0.000162 0.43136 5.36398
158 1QG6 TCL 0.000162 0.43136 5.36398
159 1UAY ADN 0.007381 0.43954 5.3719
160 3A28 NAD 0.0000006065 0.56338 5.42636
161 3AY6 NAI 0.000002598 0.51043 5.57621
162 3AY6 BGC 0.00001411 0.44525 5.57621
163 1VL8 NAP 0.000001771 0.53197 5.61798
164 5MSO NAP 0.00000000872 0.50328 5.63798
165 4PIV NDP 0.0000002037 0.48096 5.63798
166 2ZR9 DTP 0.03364 0.41296 5.63798
167 3TWO NDP 0.002501 0.40819 5.63798
168 1U8X NAD 0.008351 0.40628 5.63798
169 1HKU NAD 0.005324 0.4047 5.63798
170 1QMG APX 0.0126 0.40368 5.63798
171 1H5Q NAP 0.0000004497 0.56371 5.66038
172 2QZZ EMF 0.0003604 0.41008 5.66038
173 2QZZ NAP 0.0004216 0.40568 5.66038
174 4O0L NDP 0.0000002209 0.57576 5.81818
175 4NBW NAD 0.0000009588 0.45525 5.83658
176 3JQB NAP 0.0000001637 0.59661 5.90278
177 3JQG NAP 0.0000001704 0.5959 5.90278
178 3JQA NAP 0.0000001787 0.59505 5.90278
179 3JQF NAP 0.0000001198 0.5913 5.90278
180 3BMQ NAP 0.00000012 0.59128 5.90278
181 3BMO NAP 0.0000001922 0.58837 5.90278
182 4CMI NAP 0.0000001957 0.58806 5.90278
183 4CM8 NAP 0.000000223 0.58577 5.90278
184 4CM4 NAP 0.0000002453 0.5841 5.90278
185 5JCJ NAP 0.0000002519 0.58364 5.90278
186 3JQ7 NAP 0.0000005034 0.57664 5.90278
187 3BMN NAP 0.0000003148 0.57467 5.90278
188 5K6A NAP 0.0000002075 0.47947 5.90278
189 3JQ8 NAP 0.0000002114 0.47916 5.90278
190 4CM9 NAP 0.0000002135 0.47898 5.90278
191 4CME NAP 0.0000001565 0.47825 5.90278
192 5JDI NAP 0.0000001606 0.4769 5.90278
193 3JQ9 NAP 0.0000003021 0.47534 5.90278
194 4CLR NAP 0.0000001912 0.47522 5.90278
195 5JDC NAP 0.0000002799 0.47132 5.90278
196 4CLO NAP 0.0000002037 0.47082 5.90278
197 3JQF AX2 0.04891 0.40394 5.90278
198 4CMI M4V 0.0436 0.40045 5.90278
199 1YXM ADE 0.001259 0.49958 5.94059
200 3QV1 NAD 0.004403 0.41789 6.09756
201 4MDB RLT 0.02949 0.42299 6.22222
202 3I6I NDP 0.0004427 0.42833 6.23145
203 2GZ3 NAP 0.001715 0.40236 6.23145
204 5XDR ADP 0.04926 0.40082 6.23145
205 1P77 ATR 0.00106 0.50362 6.25
206 2OOR NAD 0.01808 0.40189 6.32184
207 1CER NAD 0.0004494 0.45916 6.34441
208 3DTU DXC 0.007639 0.45922 6.52819
209 2BD0 NAP 0.0000007317 0.55091 6.55738
210 2BD0 BIO 0.01011 0.4445 6.55738
211 3OID NDP 0.0000008394 0.47342 6.58915
212 3VZS NAP 0.0000005083 0.50901 6.61479
213 3VZS CAA 0.000002427 0.42843 6.61479
214 3QWI CUE 0.00000156 0.49215 6.66667
215 3QWI NAP 0.0000009877 0.46867 6.66667
216 1E5Q NDP 0.0005048 0.45066 6.82493
217 1T9D PYD 0.02243 0.41864 6.82493
218 1VL0 NAI 0.00000009539 0.47384 6.84932
219 1U7T NAD 0.00000005742 0.61524 6.89655
220 1U7T TDT 0.000001108 0.50922 6.89655
221 1A5Z NAD 0.0003926 0.47623 6.89655
222 2AG5 NAD 0.000004715 0.44447 6.91057
223 4GGZ BTN 0.02248 0.4186 6.95652
224 4ZA2 NAD 0.00000679 0.43725 7.11462
225 4MDH NAD 0.0003393 0.46087 7.18563
226 2DTX BMA 0.0000002826 0.50973 7.19697
227 4OSP NAP 0.000001135 0.45533 7.22433
228 3B12 FAH 0.01232 0.45231 7.23684
229 1D7O NAD 0.0002114 0.44223 7.40741
230 1LTH NAD 0.0009066 0.45298 7.52351
231 2DT5 NAD 0.003522 0.41665 7.58294
232 5GT9 NAP 0.00000263 0.45265 7.60456
233 1WMA NDP 0.00000386 0.48469 7.6087
234 1WMA AB3 0.00000386 0.48469 7.6087
235 1NVM NAD 0.002232 0.41947 7.71513
236 1OBB NAD 0.01075 0.40667 7.71513
237 3VPH NAD 0.0002429 0.45108 7.74194
238 3VPH OXM 0.001055 0.42198 7.74194
239 1Z6Z NAP 0.00001969 0.426 7.80142
240 3SJ7 NDP 0.0000002042 0.47497 7.93651
241 4KWI 1TJ 0.0000003641 0.52554 7.98479
242 4KWI NAP 0.0000004904 0.52481 7.98479
243 4J7U YTZ 0.000005151 0.47815 8.01187
244 4J7U NAP 0.000005151 0.47815 8.01187
245 3MJE NDP 0.0000002613 0.47441 8.01187
246 3RKR NAP 0.005599 0.45412 8.01527
247 2FR1 NDP 0.0000001797 0.57435 8.02469
248 3AFN NAP 0.000008327 0.44745 8.13953
249 3EB9 FLC 0.04561 0.40258 8.27068
250 1IGW PYR 0.03108 0.4204 8.30861
251 2X6T NAP 0.0000004392 0.56894 8.40336
252 1JAY NAP 0.0004899 0.47194 8.49057
253 3SJU NDP 0.0000006383 0.55777 8.60215
254 1KEW TYD 0.00000005413 0.55449 8.60534
255 1KEW NAD 0.00000009425 0.54774 8.60534
256 5DOZ NDP 0.003594 0.40675 8.60534
257 2BKA NDP 0.000003525 0.43925 8.67769
258 1J5P NAD 0.0007683 0.44634 8.69565
259 5H81 NAP 0.000812 0.46215 8.90208
260 1EQ2 NAP 0.000000317 0.57455 9.03226
261 1HDO NAP 0.0000001791 0.56502 9.2233
262 2FKA BEF 0.01452 0.42593 9.30233
263 1TB4 PEJ 0.003366 0.41493 9.49555
264 4A0S NAP 0.003776 0.41054 9.49555
265 5L4S 6KX 0.000003451 0.47055 9.74843
266 5L4S NAP 0.000003451 0.47055 9.74843
267 2WSB NAD 0.0000001725 0.52054 9.84252
268 4NBT NAD 0.0000006184 0.56793 10
269 1N7G GDR 0.0000001466 0.54634 10.089
270 1N7G NDP 0.000002283 0.51749 10.089
271 1OC2 TDX 0.0000001287 0.48472 10.089
272 1OC2 NAD 0.0000001287 0.48472 10.089
273 1ZK4 NAP 0.000001872 0.47545 10.3586
274 1RPN NDP 0.00000004512 0.57784 10.3858
275 5IN4 NAP 0.000005176 0.5461 10.3858
276 5IN4 GDP 0.000004893 0.54577 10.3858
277 5IN4 6CK 0.000006153 0.54272 10.3858
278 1XG5 NAP 0.000002595 0.53401 10.7527
279 1GEG NAD 0.000001294 0.55033 10.9375
280 1Z45 NAD 0.0000001886 0.58349 10.9792
281 1H2B NAJ 0.002007 0.41634 10.9792
282 1Z45 UPG 0.02847 0.40084 10.9792
283 1IY8 NAD 0.0000003022 0.57044 11.236
284 3NUG NAD 0.000000193 0.48565 11.336
285 2AE2 PTO 0.0000004685 0.50645 11.5385
286 2AE2 NAP 0.0000004685 0.50645 11.5385
287 2DKN NAI 0.000000368 0.57701 11.7647
288 4YAG NAI 0.000001459 0.49604 11.7647
289 1I2B NAD 0.0000001047 0.55009 11.8694
290 1I2B USQ 0.00206 0.4338 11.8694
291 1I2B UPG 0.00206 0.4338 11.8694
292 5THQ NDP 0.0000007699 0.46625 12.1324
293 4IAW LIZ 0.04573 0.40584 12.234
294 2Q46 NAP 0.000002472 0.5437 12.253
295 1OAA OAA 0.000001495 0.49823 12.3552
296 3DRA GRG 0.03695 0.40108 12.4183
297 3TN7 NJP 0.000001886 0.4598 12.4514
298 3AI3 SOL 0.0003347 0.53118 12.5475
299 2VZ0 NAP 0.000002603 0.52062 12.6866
300 2VZ0 D64 0.000002603 0.52062 12.6866
301 2CFC NAD 0.0000000824 0.60319 12.8
302 2CFC KPC 0.000436 0.52882 12.8
303 1EZ4 NAD 0.0006281 0.45311 12.8931
304 5T2U NAP 0.0000003437 0.48775 13.3065
305 4QED NAP 0.0000004912 0.4691 13.3065
306 1BXK NAD 0.00000001671 0.50346 13.3531
307 3GEG NAD 0.00001203 0.42355 13.3603
308 2WD7 NAP 0.0000001946 0.4749 13.4328
309 1X1T NAD 0.000005118 0.51453 13.4615
310 1N5D NDP 0.000002459 0.53492 13.5417
311 2F1K NAP 0.001744 0.43465 14.6953
312 3WXB NDP 0.0000009878 0.55037 15.0538
313 4Z28 BTN 0.02669 0.41832 15.6716
314 1LLU NAD 0.001745 0.41626 15.727
315 4J1Q NDP 0.0000001897 0.47166 16.0237
316 5L4L 7OX 0.000002379 0.4749 16.1184
317 5L4L NAP 0.0000001971 0.45526 16.1184
318 1E7S NAP 0.0000000427 0.50761 16.1994
319 2C5A GDC 0.0000002775 0.48316 16.6172
320 2C5A NAD 0.0000002775 0.48316 16.6172
321 1XKQ NDP 0.000002572 0.46063 16.7857
322 1RKX NAD 0.00000002697 0.6114 16.9139
323 1UDB NAD 0.0000002923 0.49084 16.9139
324 1WVG APR 0.000001833 0.43547 16.9139
325 1SB8 UD2 0.0000001425 0.543 17.2107
326 1SB8 NAD 0.0000005134 0.51905 17.2107
327 3A4V NAD 0.00000004924 0.57646 17.6656
328 3A4V PYR 0.00000004924 0.57646 17.6656
329 2YY7 NAD 0.0000002771 0.48067 18.2692
330 1GY8 NAD 0.000000398 0.56578 18.3976
331 5F5N NAD 0.00003519 0.4106 19.0311
332 1Q7B NAP 0.000001511 0.54767 19.2623
333 3RFV NAI 0.00000007213 0.61118 20.5993
334 3RFV 15L 0.00000128 0.56508 20.5993
335 3CH6 NAP 0.0000001974 0.54769 20.6294
336 3CH6 311 0.0000001974 0.54769 20.6294
337 1EK6 NAI 0.0000002593 0.53545 21.6617
338 1EK6 UPG 0.0000004147 0.53092 21.6617
339 1ZEM NAD 0.00000027 0.46267 22.1374
340 3LU1 NAD 0.0000001163 0.5918 22.2552
341 1PZ4 PLM 0.03747 0.40077 22.4138
342 4CQM NAP 0.00000007844 0.59859 22.9508
343 1JA9 NDP 0.000001657 0.46254 23.7226
344 4K26 NDP 0.000001178 0.54738 24.6377
345 4K26 SFF 0.0000007804 0.52154 24.6377
346 5ITV NAI 0.000000912 0.46861 25.098
347 2EXX NAP 0.0002464 0.40515 25.1634
348 1R6D DAU 0.0000001826 0.53935 25.816
349 1R6D NAD 0.0000002845 0.53408 25.816
350 3KO8 NAD 0.00000004761 0.59652 26.2821
351 3U4C NDP 0.00002547 0.41763 28.4698
352 2PK3 A2R 0.0000004859 0.42429 30.8605
353 4GLL NAD 0.0000000918 0.49728 32.9377
354 2PZM NAD 0.000005061 0.48083 35.1515
355 2PZM UDP 0.000005061 0.48083 35.1515
356 3WMX NAD 0.0000001696 0.60159 35.6083
357 2Q1W NAD 0.0000005086 0.55699 38.4384
358 2Q1S NAI 0.000001056 0.50319 40.0593
359 1Y1P NMN AMP PO4 0.000000003175 0.50264 41.2463
360 4PVD NDP 0.0000000005143 0.53578 42.1365
361 4ZRN NAD 0.00000005732 0.58347 44.2308
362 4ZRN UPG 0.0000003526 0.49524 44.2308
Pocket No.: 2; Query (leader) PDB : 2C29; Ligand: DQH; Similar sites found: 318
This union binding pocket(no: 2) in the query (biounit: 2c29.bio1) has 44 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1LPD ADE 0.02385 0.42092 1.1811
2 1V6A TRE 0.00134 0.49882 1.20482
3 2B4R AES 0.001568 0.4281 1.48368
4 2B4R NAD 0.002231 0.41947 1.48368
5 5GWE GWM 0.03508 0.41568 1.48368
6 1PR9 NAP 0.000001516 0.46699 1.63934
7 3D3W NAP 0.000003609 0.45746 1.63934
8 2AWN ADP 0.01015 0.44199 1.78042
9 4RQU NAD 0.003701 0.41579 1.78042
10 5JAQ NAI 0.0007882 0.40083 1.78042
11 2Q2V NAD 0.0000165 0.43674 1.96078
12 1W8D NAP 0.0000008615 0.58307 1.98676
13 1W73 NAP 0.0000009021 0.58221 1.98676
14 1W6U NAP 0.0000006407 0.44036 1.98676
15 1WP4 NDP 0.01005 0.40055 2.07612
16 1LVL NAD 0.008064 0.42058 2.07715
17 1F8G NAD 0.01728 0.40278 2.07715
18 1I0Z NAI 0.004964 0.40823 2.1021
19 2BGM NAJ 0.00000109 0.4482 2.15827
20 1BDB NAD 0.00001638 0.49541 2.16606
21 4FC7 NAP 0.000002766 0.48679 2.16606
22 4FC7 COA 0.000002766 0.48679 2.16606
23 2PD4 DCN 0.0002131 0.41018 2.18182
24 2PD4 NAD 0.0002288 0.40899 2.18182
25 1E3W NAD 0.0000008386 0.5578 2.29885
26 1G6H ADP 0.03149 0.42019 2.33463
27 2PV7 NAD 0.005649 0.41083 2.34899
28 1XHL NDP 0.00001281 0.43685 2.3569
29 3H9E NAD 0.0007125 0.45083 2.37389
30 3TY3 GGG 0.02487 0.42918 2.37389
31 4R5M NAP 0.005763 0.40802 2.37389
32 1BW9 NAD 0.01383 0.40713 2.37389
33 2EWM NAD 0.000006085 0.51956 2.40964
34 2JAH NDP 0.000006202 0.4426 2.42915
35 4TQG NDP 0.0000007653 0.46149 2.47678
36 3OA2 NAD 0.002806 0.42063 2.51572
37 1MXH NAP 0.000001521 0.48333 2.53623
38 1MXH DHF 0.000001502 0.48327 2.53623
39 1YJQ NAP 0.003746 0.40607 2.64026
40 3B1J NAD 0.005851 0.40539 2.67062
41 4DPL NAP 0.006241 0.40428 2.67062
42 4FN4 NAD 0.000001368 0.54938 2.75591
43 4OHU 2TK 0.0002525 0.43583 2.76817
44 4OHU NAD 0.0002525 0.43583 2.76817
45 1KPG 16A 0.03149 0.40158 2.78746
46 3O26 NDP 0.000004965 0.44359 2.89389
47 3V1U NAD 0.000003135 0.43042 2.96736
48 3CV2 OXL 0.02147 0.42783 2.96736
49 1MUU NAD 0.003139 0.42682 2.96736
50 3GLC R5P 0.02513 0.41608 3.05085
51 5EPO NAP 0.000017 0.42809 3.05344
52 1NFQ NAI 0.0000006239 0.47468 3.07692
53 1A27 NAP 0.00002878 0.42364 3.11419
54 3ORF NAD 0.000004624 0.43636 3.18725
55 4NBU NAI 0.000001973 0.53865 3.2
56 1U1I NAD 0.0002779 0.44603 3.2641
57 3LJU IP9 0.02206 0.4381 3.2641
58 1NYT NAP 0.01115 0.40347 3.32103
59 2HJR APR 0.0006995 0.46137 3.35366
60 3V1Y NAD 0.001119 0.44267 3.56083
61 1VKO NAD 0.00181 0.42049 3.56083
62 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.02519 0.42427 3.63289
63 2JAP NDP 0.000001669 0.54148 3.64372
64 2JAP J01 0.008922 0.4479 3.64372
65 4HXY NDP 0.0000006603 0.46865 3.65297
66 1EDO NAP 0.000001192 0.46562 3.68852
67 1SNY NAP 0.00002558 0.41471 3.74532
68 1ORR NAD 0.0000001594 0.49562 3.7464
69 3B1F NAD 0.003415 0.43431 3.7931
70 2BH9 NAP 0.0008602 0.48166 3.85757
71 2V6G NAP 0.00001697 0.4289 3.85757
72 3ABI NAD 0.004215 0.41105 3.85757
73 2VQO TFG 0.04458 0.40997 3.85757
74 4KOA NDP 0.002679 0.45338 3.9039
75 3ZV6 NAD 0.00001018 0.47669 3.91459
76 3ZV6 4HB 0.00001133 0.4722 3.91459
77 1V35 NAI 0.0007147 0.41435 3.95137
78 2CVQ NDP 0.001491 0.43171 3.97554
79 1GZ6 NAI 0.000051 0.48353 4.07523
80 2XYQ SAH 0.02053 0.40763 4.09836
81 2GDZ NAD 0.000002844 0.44749 4.11985
82 3H4V DVP 0.000003224 0.48458 4.16667
83 3H4V NAP 0.00000523 0.475 4.16667
84 3IX9 MTX 0.04531 0.40273 4.21053
85 1X14 NAD 0.007827 0.43091 4.2394
86 3WBF NAP 0.00507 0.41027 4.2623
87 3WBF API 0.004988 0.40136 4.2623
88 1FK8 NAD 0.000003533 0.55162 4.28016
89 4RW3 TDA 0.03244 0.43147 4.30464
90 3RJ5 NAD 0.000003716 0.5014 4.33071
91 2RH4 EMO 0.0000002241 0.5159 4.33213
92 1AE1 NAP 0.00001365 0.44076 4.3956
93 4YCA NDP 0.007113 0.4092 4.42177
94 2IZ1 ATR 0.00771 0.45357 4.45104
95 4ITU NAI 0.00001081 0.50224 4.46097
96 4ITU 1HS 0.000003368 0.48974 4.46097
97 2WMC MGP 0.02956 0.40767 4.49438
98 3BAZ NAP 0.005305 0.41717 4.5045
99 1HDG NAD 0.001655 0.4386 4.51807
100 5CG1 NAD BBN 0.00119 0.41669 4.59016
101 5GZ6 NDP 0.009353 0.41764 4.60123
102 5GZ6 7C3 0.00977 0.41112 4.60123
103 1E6W NAD 0.0000008353 0.55787 4.61538
104 1XSE NDP 0.0000001707 0.52019 4.74576
105 1F8F NAD 0.00704 0.41195 4.74777
106 3O03 NAP 0.000003141 0.43589 4.811
107 2GLX NDP 0.005739 0.41845 4.81928
108 4K28 NAD 0.01287 0.40081 4.83271
109 1ZBQ NAD 0.00003694 0.48546 4.89297
110 1G0N PHH 0.000001158 0.49644 4.947
111 1G0N NDP 0.000001045 0.48897 4.947
112 4D42 NAP 0.00004548 0.45622 4.96454
113 4D42 W0I 0.00004548 0.45622 4.96454
114 4K6B GLU 0.04647 0.41275 4.96894
115 2ZAT NAP 0.000008213 0.43891 5
116 4U7W NDP 0.000000001252 0.52662 5.04451
117 1J78 VDY 0.04535 0.40956 5.04451
118 3OJF IMJ 0.0001064 0.43344 5.05837
119 3OJF NDP 0.0002504 0.40988 5.05837
120 2B4Q NAP 0.000009272 0.51643 5.07246
121 3ICC NAP 0.000003829 0.52329 5.09804
122 4IXW IXW 0.01868 0.43057 5.11811
123 9LDB NAD 0.005292 0.40481 5.12048
124 3HB5 NAP 0.0000001723 0.50611 5.19878
125 3HB5 E2B 0.00174 0.44079 5.19878
126 4ZVF GAV 0.04361 0.4036 5.23256
127 1GEE NAD 0.0000007984 0.55865 5.36398
128 1QG6 NAD 0.0001979 0.4285 5.36398
129 1QG6 TCL 0.0001979 0.4285 5.36398
130 1UAY ADN 0.008033 0.43769 5.3719
131 3A28 NAD 0.000002235 0.54092 5.42636
132 3AY6 NAI 0.000007533 0.49393 5.57621
133 3AY6 BGC 0.00003632 0.43279 5.57621
134 1VL8 NAP 0.000004207 0.51775 5.61798
135 5MSO NAP 0.00000004169 0.48521 5.63798
136 4PIV NDP 0.0000006102 0.46677 5.63798
137 2ZR9 DTP 0.03364 0.41296 5.63798
138 1U8X NAD 0.008081 0.40688 5.63798
139 1H5Q NAP 0.000001201 0.54706 5.66038
140 4O0L NDP 0.0000007564 0.5549 5.81818
141 4NBW NAD 0.0000009498 0.4554 5.83658
142 3JQG NAP 0.0000004631 0.57813 5.90278
143 3JQB NAP 0.0000005029 0.57666 5.90278
144 3JQ7 NAP 0.0000005034 0.57664 5.90278
145 3JQA NAP 0.0000005684 0.57449 5.90278
146 3BMO NAP 0.000000559 0.5697 5.90278
147 4CMI NAP 0.0000005625 0.56959 5.90278
148 3JQF NAP 0.0000004271 0.56942 5.90278
149 3BMQ NAP 0.0000004279 0.56938 5.90278
150 4CM8 NAP 0.0000006419 0.56728 5.90278
151 4CM4 NAP 0.0000007104 0.56551 5.90278
152 5JCJ NAP 0.0000007723 0.56405 5.90278
153 3BMN NAP 0.000001034 0.5542 5.90278
154 4CM9 NAP 0.0000006449 0.46492 5.90278
155 5K6A NAP 0.0000007269 0.4638 5.90278
156 3JQ8 NAP 0.0000007517 0.4633 5.90278
157 4CME NAP 0.000000527 0.4632 5.90278
158 5JDI NAP 0.000000508 0.46296 5.90278
159 4CLR NAP 0.0000005556 0.46214 5.90278
160 3JQ9 NAP 0.0000008479 0.46203 5.90278
161 5JDC NAP 0.0000008625 0.45768 5.90278
162 4CLO NAP 0.0000006236 0.45739 5.90278
163 4CMI M4V 0.0436 0.40045 5.90278
164 4M5P MLA 0.01643 0.40369 5.93472
165 1YXM ADE 0.001259 0.49958 5.94059
166 3QV1 NAD 0.004091 0.41922 6.09756
167 3I6I NDP 0.001218 0.41285 6.23145
168 5XDR ADP 0.04926 0.40082 6.23145
169 1P77 ATR 0.00106 0.50362 6.25
170 2OOR NAD 0.01753 0.40249 6.32184
171 1CER NAD 0.002098 0.4313 6.34441
172 3DTU DXC 0.007639 0.45922 6.52819
173 2BD0 NAP 0.000002171 0.53276 6.55738
174 2BD0 BIO 0.004189 0.45897 6.55738
175 3OID NDP 0.000002619 0.45792 6.58915
176 3VZS NAP 0.00000129 0.49598 6.61479
177 3VZS CAA 0.000005059 0.42076 6.61479
178 3QWI CUE 0.000004776 0.47643 6.66667
179 3QWI NAP 0.000003527 0.45321 6.66667
180 1E5Q NDP 0.0005513 0.44912 6.82493
181 1T9D PYD 0.02243 0.41864 6.82493
182 1VL0 NAI 0.00000009539 0.47384 6.84932
183 1U7T NAD 0.0000001871 0.59423 6.89655
184 1U7T TDT 0.000003104 0.49411 6.89655
185 1A5Z NAD 0.002289 0.44207 6.89655
186 2AG5 NAD 0.000004677 0.44459 6.91057
187 4GGZ BTN 0.02381 0.41729 6.95652
188 4ZA2 NAD 0.000008059 0.43554 7.11462
189 4MDH NAD 0.000347 0.46047 7.18563
190 2DTX BMA 0.0000007173 0.49711 7.19697
191 4OSP NAP 0.000003852 0.44097 7.22433
192 3B12 FAH 0.0078 0.46233 7.23684
193 1D7O NAD 0.0003186 0.43587 7.40741
194 1LTH NAD 0.005004 0.42101 7.52351
195 5GT9 NAP 0.0000109 0.43544 7.60456
196 1WMA NDP 0.00001069 0.47015 7.6087
197 1WMA AB3 0.00001069 0.47015 7.6087
198 1NVM NAD 0.002305 0.41892 7.71513
199 1OBB NAD 0.0111 0.40606 7.71513
200 3VPH NAD 0.000897 0.42959 7.74194
201 3VPH OXM 0.00348 0.40291 7.74194
202 1Z6Z NAP 0.00002215 0.42431 7.80142
203 3SJ7 NDP 0.0000005805 0.46195 7.93651
204 4KWI 1TJ 0.0000009067 0.51216 7.98479
205 4KWI NAP 0.000001445 0.50874 7.98479
206 4J7U NAP 0.00001563 0.46243 8.01187
207 4J7U YTZ 0.00001563 0.46243 8.01187
208 3MJE NDP 0.0000009949 0.45782 8.01187
209 3RKR NAP 0.005599 0.45412 8.01527
210 2FR1 NDP 0.0000005959 0.55434 8.02469
211 3AFN NAP 0.00002273 0.43483 8.13953
212 1IGW PYR 0.03108 0.4204 8.30861
213 2X6T NAP 0.000001689 0.54574 8.40336
214 1JAY NAP 0.001803 0.44669 8.49057
215 3SJU NDP 0.000001617 0.54202 8.60215
216 1KEW TYD 0.0000001316 0.54152 8.60534
217 1KEW NAD 0.0000002296 0.53471 8.60534
218 2BKA NDP 0.000004206 0.43698 8.67769
219 1J5P NAD 0.0025 0.42535 8.69565
220 5H81 NAP 0.004936 0.42716 8.90208
221 1EQ2 NAP 0.000001237 0.55111 9.03226
222 1HDO NAP 0.0000003347 0.5549 9.2233
223 2FKA BEF 0.01452 0.42593 9.30233
224 5L4S 6KX 0.00001036 0.45616 9.74843
225 5L4S NAP 0.00001036 0.45616 9.74843
226 2WSB NAD 0.0000002851 0.5135 9.84252
227 4NBT NAD 0.000002456 0.54381 10
228 1N7G GDR 0.000000423 0.53062 10.089
229 1N7G NDP 0.000006565 0.50131 10.089
230 1OC2 TDX 0.0000002405 0.47729 10.089
231 1OC2 NAD 0.0000002405 0.47729 10.089
232 1ZK4 NAP 0.000004627 0.46373 10.3586
233 1RPN NDP 0.0000001513 0.55881 10.3858
234 5IN4 NAP 0.00001294 0.53044 10.3858
235 5IN4 GDP 0.00001313 0.52894 10.3858
236 5IN4 6CK 0.000016 0.5264 10.3858
237 1XG5 NAP 0.000007849 0.51525 10.7527
238 1GEG NAD 0.000003719 0.53216 10.9375
239 1Z45 NAD 0.000000581 0.56412 10.9792
240 1Z45 UPG 0.02847 0.40084 10.9792
241 1IY8 NAD 0.00000108 0.54886 11.236
242 3NUG NAD 0.0000005754 0.47167 11.336
243 2AE2 NAP 0.000001042 0.49548 11.5385
244 2AE2 PTO 0.000001042 0.49548 11.5385
245 2DKN NAI 0.000001197 0.55638 11.7647
246 4YAG NAI 0.000003751 0.48265 11.7647
247 1I2B NAD 0.0000003369 0.53281 11.8694
248 1I2B UPG 0.006385 0.41508 11.8694
249 1I2B USQ 0.006385 0.41508 11.8694
250 5THQ NDP 0.000002233 0.45158 12.1324
251 4IAW LIZ 0.04896 0.40424 12.234
252 2Q46 NAP 0.000002769 0.54171 12.253
253 1OAA OAA 0.000004298 0.48316 12.3552
254 3DRA GRG 0.03695 0.40108 12.4183
255 3TN7 NJP 0.000004965 0.44738 12.4514
256 3AI3 SOL 0.0003207 0.5322 12.5475
257 2VZ0 NAP 0.000005261 0.50968 12.6866
258 2VZ0 D64 0.000005261 0.50968 12.6866
259 2CFC NAD 0.000000323 0.57929 12.8
260 2CFC KPC 0.000436 0.52882 12.8
261 1EZ4 NAD 0.002535 0.42788 12.8931
262 5T2U NAP 0.000001063 0.4741 13.3065
263 4QED NAP 0.000002069 0.45228 13.3065
264 1BXK NAD 0.00000006517 0.48686 13.3531
265 3GEG NAD 0.00001203 0.42355 13.3603
266 2WD7 NAP 0.0000005593 0.46193 13.4328
267 1X1T NAD 0.00001571 0.49609 13.4615
268 1N5D NDP 0.000008886 0.51314 13.5417
269 2F1K NAP 0.007567 0.40807 14.6953
270 3WXB NDP 0.000003199 0.53046 15.0538
271 4Z28 BTN 0.02817 0.41707 15.6716
272 4J1Q NDP 0.0000006381 0.4567 16.0237
273 5L4L 7OX 0.00000117 0.48412 16.1184
274 5L4L NAP 0.0000008927 0.43895 16.1184
275 1E7S NAP 0.0000001413 0.49344 16.1994
276 2OMN IPH 0.02321 0.42643 16.5899
277 2C5A NAD 0.0000005274 0.47513 16.6172
278 2C5A GDC 0.0000005274 0.47513 16.6172
279 1XKQ NDP 0.000008977 0.4436 16.7857
280 1RKX NAD 0.0000001084 0.58782 16.9139
281 1UDB NAD 0.000000898 0.47653 16.9139
282 1WVG APR 0.000007471 0.41826 16.9139
283 1SB8 UD2 0.0000004909 0.52482 17.2107
284 1SB8 NAD 0.000001645 0.50218 17.2107
285 3A4V NAD 0.0000001495 0.55899 17.6656
286 3A4V PYR 0.0000001495 0.55899 17.6656
287 2YY7 NAD 0.0000009661 0.46446 18.2692
288 1GY8 NAD 0.000001232 0.54663 18.3976
289 1Q7B NAP 0.000001836 0.54431 19.2623
290 3RFV NAI 0.0000002666 0.58794 20.5993
291 3RFV 15L 0.000004826 0.54109 20.5993
292 3CH6 311 0.0000004474 0.53538 20.6294
293 3CH6 NAP 0.0000004474 0.53538 20.6294
294 1EK6 NAI 0.0000006698 0.52146 21.6617
295 1EK6 UPG 0.000001021 0.51755 21.6617
296 1ZEM NAD 0.000001225 0.4454 22.1374
297 3LU1 NAD 0.0000005256 0.56584 22.2552
298 1PZ4 PLM 0.03429 0.40269 22.4138
299 4CQM NAP 0.0000002254 0.58042 22.9508
300 1JA9 NDP 0.000005649 0.44684 23.7226
301 4K26 NDP 0.000001338 0.54523 24.6377
302 4K26 SFF 0.0000008502 0.52024 24.6377
303 5ITV NAI 0.00000303 0.45292 25.098
304 1R6D DAU 0.0000004413 0.52639 25.816
305 1R6D NAD 0.0000006724 0.5214 25.816
306 3KO8 NAD 0.0000001596 0.57633 26.2821
307 3U4C NDP 0.00002978 0.41535 28.4698
308 2PK3 A2R 0.000001886 0.40924 30.8605
309 4GLL NAD 0.000000364 0.48014 32.9377
310 2PZM UDP 0.00001343 0.4669 35.1515
311 2PZM NAD 0.00001343 0.4669 35.1515
312 3WMX NAD 0.0000004862 0.58257 35.6083
313 2Q1W NAD 0.00000166 0.53724 38.4384
314 2Q1S NAI 0.000003287 0.48699 40.0593
315 1Y1P NMN AMP PO4 0.000000005883 0.49471 41.2463
316 4PVD NDP 0.0000000005143 0.53578 42.1365
317 4ZRN NAD 0.0000002057 0.56278 44.2308
318 4ZRN UPG 0.000001168 0.47955 44.2308
Pocket No.: 3; Query (leader) PDB : 2C29; Ligand: DQH; Similar sites found: 14
This union binding pocket(no: 3) in the query (biounit: 2c29.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EPO TUD 0.0007327 0.44901 3.05344
2 1HDC CBO 0.007517 0.40769 3.14961
3 1REO FAD 0.01742 0.41372 3.56083
4 5HSA FAS 0.03121 0.40305 3.85757
5 3W5J GDP 0.0152 0.40862 3.92157
6 3CNL GNP 0.009625 0.41313 4.96183
7 4PIV 2W4 0.008124 0.40237 5.63798
8 2HZL PYR 0.01684 0.4089 6.23145
9 1QM5 PLP 0.03903 0.40069 7.12166
10 1QM5 GLC GLC GLC PO4 SGC GLC 0.02585 0.40039 7.12166
11 4OSP 2V4 0.0006245 0.41614 7.22433
12 4JP3 CIT 0.0007131 0.43741 8.3682
13 1U6R IOM 0.005554 0.42137 11.5727
14 1JA9 PYQ 0.0001248 0.45019 23.7226
Pocket No.: 4; Query (leader) PDB : 2C29; Ligand: NAP; Similar sites found: 191
This union binding pocket(no: 4) in the query (biounit: 2c29.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2NAD NAD 0.003215 0.40981 1.18694
2 4J36 1HR 0.004049 0.41421 1.48368
3 4J36 FAD 0.002339 0.41278 1.48368
4 1YKJ FAD 0.01103 0.40934 1.48368
5 1YKJ PHB 0.01103 0.40934 1.48368
6 5X20 NAD 0.001872 0.40181 1.60256
7 1GV0 NAD 0.0002017 0.44955 1.6129
8 2FZW NAD 0.002341 0.42381 1.78042
9 1I8T FAD 0.006518 0.40202 1.78042
10 1J0X NAD 0.000345 0.45732 1.80723
11 2A92 NAI 0.0001313 0.45982 1.86916
12 4D3F NAP 0.0009556 0.4027 1.93548
13 2DFV NAD 0.0006337 0.42575 2.07715
14 1H9A NAP 0.001901 0.41753 2.07715
15 2BRY FAD 0.002071 0.41483 2.07715
16 4RPL 3UC 0.01311 0.40861 2.07715
17 4RPL FAD 0.016 0.40311 2.07715
18 5UAO FAD 0.005813 0.40298 2.07715
19 3CMC NAD 0.001854 0.44416 2.09581
20 4E13 NAD 0.0001847 0.42045 2.12014
21 1SOW NAD 0.0001066 0.46332 2.13415
22 1SAY PYR 0.0004208 0.44306 2.37389
23 3TY3 GGG 0.01449 0.42832 2.37389
24 1PL6 572 0.0008595 0.4283 2.37389
25 4MP8 NAD 0.00154 0.42471 2.37389
26 1KOL NAD 0.00168 0.42205 2.37389
27 1YB5 NAP 0.003045 0.40955 2.37389
28 3OND ADN 0.00646 0.40953 2.37389
29 5U8U FAD 0.01305 0.40749 2.37389
30 1PL6 NAD 0.0006122 0.40557 2.37389
31 1BXG NAD 0.001906 0.4039 2.37389
32 4PLG NAI 0.0002729 0.45435 2.39521
33 5KKA 6V0 0.0003253 0.4446 2.5641
34 3R7F CP 0.02425 0.41489 2.63158
35 3B20 NAD 0.0007585 0.41201 2.67062
36 5LD5 NAD 0.0007679 0.40914 2.67062
37 1V59 FAD 0.006319 0.4082 2.67062
38 2C7G FAD 0.01252 0.40301 2.67062
39 2D2I NAP 0.001382 0.40264 2.67062
40 2C7G ODP 0.01277 0.40194 2.67062
41 4IDC NDP 0.001889 0.41638 2.71084
42 4IDC 1XX 0.001889 0.41638 2.71084
43 2G5C NAD 0.0009921 0.42308 2.84698
44 5T9E NAP 0.0007039 0.42111 2.95203
45 2VHW NAI 0.0002363 0.45552 2.96736
46 4XQC NAD 0.0006979 0.44499 2.96736
47 1MV8 NAD 0.0001888 0.44096 2.96736
48 4XQC 13D 0.001044 0.43895 2.96736
49 2JHF NAD 0.01165 0.43328 2.96736
50 4TXI FAD 0.001704 0.41682 2.96736
51 2WPF WPF 0.02057 0.41239 2.96736
52 1EBF NAD 0.000873 0.41105 2.96736
53 2WPF FAD 0.02104 0.41069 2.96736
54 1H6C SIN 0.004054 0.41024 2.96736
55 1H6C NDP 0.004451 0.40651 2.96736
56 4D04 NAP 0.01412 0.4048 2.96736
57 4D04 FAD 0.01412 0.4048 2.96736
58 4J4H 1J1 0.003572 0.41916 3.0888
59 4J4H NAI 0.003572 0.41916 3.0888
60 4JK3 NAD 0.001052 0.41384 3.0888
61 1T26 NAI 0.0005306 0.44872 3.2641
62 5A04 BGC 0.01015 0.41023 3.2641
63 5A04 NDP 0.008412 0.41023 3.2641
64 2GVC FAD 0.004024 0.40362 3.2641
65 3UOY NAP 0.01881 0.40189 3.2641
66 3UOY FAD 0.01881 0.40189 3.2641
67 3L4S NAD 0.002506 0.41034 3.27381
68 3L4S 3PG 0.002703 0.41034 3.27381
69 5L53 NAP 0.000006434 0.4771 3.39506
70 5UAV NDP 0.001799 0.42088 3.41615
71 5UAV TFB 0.001799 0.42088 3.41615
72 1HYE NAP 0.00063 0.40956 3.51438
73 1U3U NAD 0.00264 0.42073 3.56083
74 1U3U BNF 0.00264 0.42073 3.56083
75 3WLE NAD 0.001842 0.42048 3.56083
76 5JY6 NAD 0.004854 0.41628 3.56083
77 5EZ7 FAD 0.007185 0.40034 3.56083
78 4XB2 NDP 0.00004377 0.45138 3.58209
79 3VWX GSH 0.03588 0.40528 3.6036
80 2VYN NAD 0.0003232 0.44015 3.62538
81 1GAD NAD 0.0005111 0.42581 3.63636
82 1B8U OAA 0.0007002 0.43174 3.64742
83 1B8U NAD 0.00009224 0.42757 3.64742
84 4Q9N NAI 0.00009954 0.4629 3.69128
85 1F06 NDP 0.00412 0.40072 3.75
86 2EV9 SKM 0.00196 0.41447 3.80228
87 2EV9 NAP 0.00196 0.41447 3.80228
88 2QRK AMP 0.001347 0.42814 3.85757
89 1PN0 IPH 0.008602 0.40525 3.85757
90 1PN0 FAD 0.008216 0.40525 3.85757
91 5E4R NAP 0.002951 0.40357 3.85757
92 5KMS NAD 0.01455 0.40165 3.85757
93 4RSL FAD 0.003334 0.41035 4.04494
94 4W6Z 8ID 0.0005953 0.43976 4.1543
95 1P0F NAP 0.001584 0.41804 4.1543
96 1X87 NAD 0.0009831 0.40505 4.1543
97 2E5V FAD 0.008016 0.40223 4.1543
98 1UXG NAD 0.0003054 0.45367 4.20712
99 2WYV NAD 0.00008378 0.46415 4.21456
100 1LSS NAD 0.0003877 0.40861 4.28571
101 3JUC PCA 0.04613 0.40646 4.57516
102 5U5G NAP 0.0007891 0.42539 4.74576
103 1TDF NAP 0.01381 0.40938 4.74684
104 4JBI NDP 0.0008104 0.41387 4.74777
105 5T9F NAP 0.0003776 0.44752 4.79705
106 1DSS NAD 0.0001001 0.44736 4.8048
107 4K6B GLU 0.02245 0.41619 4.96894
108 5FI3 NAP 0.001567 0.41548 5.04451
109 4XDY NAI 0.00119 0.41229 5.04451
110 4ZGS NAD 0.001059 0.40639 5.04451
111 4X9M FAD 0.006697 0.40255 5.04451
112 2HK9 NAP 0.001013 0.4151 5.09091
113 9LDT NAD 0.0003909 0.44006 5.12048
114 1RYO OXL 0.0238 0.40475 5.19878
115 1NVT NAP 0.001478 0.40185 5.22648
116 1E1M FAD 0.003592 0.42409 5.34125
117 1V8B NAD 0.002311 0.41661 5.34125
118 3OJO NAD 0.0007883 0.40597 5.34125
119 1E6E FAD 0.004506 0.4052 5.34125
120 1FEC FAD 0.008335 0.40416 5.34125
121 1O6Z NAD 0.00009716 0.44273 5.61056
122 2CDC XYP 0.003984 0.42939 5.63798
123 2CDC XYS 0.005659 0.42292 5.63798
124 2CDC NAP 0.005659 0.42292 5.63798
125 3OIG NAD 0.00006001 0.46488 5.6391
126 1DXY NAD 0.001313 0.40999 5.70571
127 1GUZ NAD 0.0002092 0.44735 5.80645
128 3JQA DX4 0.0191 0.41441 5.90278
129 3JQB DX6 0.04007 0.4027 5.90278
130 3T31 FAD 0.008957 0.40837 5.93472
131 3T31 DCQ 0.01027 0.40731 5.93472
132 4BVA NDP 0.003461 0.40363 5.97015
133 2GAG NAD 0.004076 0.40802 6.06061
134 3AD8 NAD 0.003874 0.40547 6.06061
135 2F5Z FAD 0.006678 0.40544 6.25
136 1LUA NAP 0.0004594 0.40863 6.27178
137 3CIF NAD 0.0001398 0.45402 6.52819
138 3CIF G3H 0.000877 0.4319 6.52819
139 1GR0 NAD 0.001977 0.41687 6.52819
140 5DN9 NAD 0.002071 0.41483 6.52819
141 1WUW TSU 0.02258 0.40565 6.66667
142 3S5W FAD 0.002206 0.41116 6.82493
143 4YRY FAD 0.008476 0.40034 6.82493
144 3P7G MAN 0.04776 0.41018 6.84932
145 2DBZ NAP 0.001234 0.418 6.88623
146 3CTY FAD 0.007414 0.4045 6.89655
147 5CAE SIN 0.002318 0.41293 7.12166
148 5CAE COA 0.0008297 0.40882 7.12166
149 2RAB NAD 0.01475 0.40582 7.12166
150 2DKH FAD 0.004805 0.40063 7.12166
151 5MDH NAD 0.0001102 0.45352 7.20721
152 5M67 NAD 0.006574 0.41004 7.4184
153 5M67 ADE 0.006626 0.40991 7.4184
154 5M67 3D1 0.006696 0.40972 7.4184
155 1UWK NAD 0.002864 0.42216 7.71513
156 1BZL FAD 0.02281 0.40954 7.71513
157 1JNR FAD 0.01766 0.4064 8
158 1RM4 NDP 0.001025 0.41771 8.01187
159 1D8C GLV 0.03038 0.40716 8.01187
160 2O4C NAD 0.003781 0.40215 8.01187
161 2UVO NDG 0.01314 0.43011 8.18713
162 2UVO NAG 0.01431 0.4288 8.18713
163 3NJ4 AFX 0.0133 0.42643 8.30861
164 3NJ4 NAD 0.01484 0.42426 8.30861
165 2Y6Q I7T 0.005863 0.4104 8.60534
166 2Y6Q FAD 0.00284 0.40824 8.60534
167 3A06 FOM 0.003313 0.41045 9.19881
168 3A06 NDP 0.002939 0.41015 9.19881
169 1SC6 NAD 0.001897 0.41502 9.79228
170 1ZK4 AC0 0.04204 0.41609 10.3586
171 1MO9 FAD 0.0199 0.40621 10.6825
172 1MO9 KPC 0.02728 0.40068 10.6825
173 5N2I NAP 0.0002404 0.416 10.7759
174 3SQP FAD 0.03672 0.41615 10.9792
175 4UYF 73B 0.02346 0.41431 11.039
176 1WDK NAD 0.001244 0.40189 11.276
177 3C1O NAP 0.0001992 0.43424 11.838
178 1R37 NAD 0.000871 0.43075 12.1662
179 3CGD NAD 0.02553 0.40097 12.1662
180 3CGD COA 0.02553 0.40097 12.1662
181 3CGD FAD 0.02553 0.40097 12.1662
182 2JL1 NAP 0.000004814 0.47658 12.892
183 2DC1 NAD 0.0008002 0.42175 13.5593
184 1LDN NAD 0.0003316 0.44281 13.6076
185 5MZI FAD 0.01016 0.40889 13.6499
186 5MZI FYK 0.01054 0.40889 13.6499
187 1X7D ORN 0.002412 0.41702 13.9466
188 1X7D NAD 0.001511 0.41465 13.9466
189 4L8V NAP 0.00341 0.40255 13.9466
190 1O5I NAD 0.00009451 0.43073 14.8594
191 2XVE FAD 0.01677 0.40036 15.1335
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