Receptor
PDB id Resolution Class Description Source Keywords
5E4R 1.94 Å EC: 1.1.1.86 CRYSTAL STRUCTURE OF DOMAIN-DUPLICATED SYNTHETIC CLASS II KE REDUCTOISOMERASE 2IA_KARI-DD IGNISPHAERA AGGREGANS (STRAIN DSM 172313409 / AQ1.S1) KETOL-ACID REDUCTIOSOMERASE PROTEIN KNOT PSUEDODIMER PROTENGINEERING CHIMERA PROTEIN OXIDOREDUCTASE
Ref.: ARTIFICIAL DOMAIN DUPLICATION REPLICATES EVOLUTIONA HISTORY OF KETOL-ACID REDUCTOISOMERASES. PROTEIN SCI. V. 25 1241 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:506;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
EDO A:505;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
40E A:504;
Valid;
none;
submit data
131.13 C5 H9 N O3 CC(C)...
MG A:502;
A:503;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
NAP A:501;
Valid;
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
5E4R 1.94 Å EC: 1.1.1.86 CRYSTAL STRUCTURE OF DOMAIN-DUPLICATED SYNTHETIC CLASS II KE REDUCTOISOMERASE 2IA_KARI-DD IGNISPHAERA AGGREGANS (STRAIN DSM 172313409 / AQ1.S1) KETOL-ACID REDUCTIOSOMERASE PROTEIN KNOT PSUEDODIMER PROTENGINEERING CHIMERA PROTEIN OXIDOREDUCTASE
Ref.: ARTIFICIAL DOMAIN DUPLICATION REPLICATES EVOLUTIONA HISTORY OF KETOL-ACID REDUCTOISOMERASES. PROTEIN SCI. V. 25 1241 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5E4R - 40E C5 H9 N O3 CC(C)NC(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5E4R - 40E C5 H9 N O3 CC(C)NC(=O....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4XDY - HIO C5 H9 N O4 CC(C)N(C(=....
2 5E4R - 40E C5 H9 N O3 CC(C)NC(=O....
3 4XDZ - 40E C5 H9 N O3 CC(C)NC(=O....
4 4KQX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 4KQW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 4TSK - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 40E; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 40E 1 1
2 NXA 0.4 0.642857
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 : 5E4R; Ligand: NAP; Similar sites found: 299
This union binding pocket(no: 1) in the query (biounit: 5e4r.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2B4R NAD 0.0004216 0.4388 1.15942
2 2B4R AES 0.001906 0.41222 1.15942
3 5MBX FAD 0.003984 0.423 1.22449
4 5MBX SP5 0.003984 0.423 1.22449
5 3UCL NAP 0.002712 0.43846 1.42857
6 3UCL FAD 0.003368 0.43249 1.42857
7 3UCL CYH 0.003368 0.43249 1.42857
8 3V1Y NAD 0.0003679 0.4446 1.48368
9 3CMC NAD 0.005157 0.42528 1.49701
10 4OPC FDA 0.02054 0.412 1.54525
11 4OPC PGT 0.02372 0.412 1.54525
12 5JCM FAD 0.003853 0.42935 1.55211
13 5JCM NAD 0.003994 0.42935 1.55211
14 5JCM ISD 0.003994 0.42935 1.55211
15 3GD4 NAD 0.002638 0.41981 1.63265
16 3E1T FAD 0.005718 0.40816 1.63265
17 2HQM FAD 0.0003916 0.45401 1.67015
18 3CIF NAD 0.0003644 0.43817 1.67131
19 3CIF G3H 0.002936 0.40895 1.67131
20 1BW9 NAD 0.0004352 0.45621 1.68539
21 1BXG NAD 0.0007791 0.41899 1.68539
22 1C1X NAD 0.0008677 0.42991 1.69014
23 3NJ4 AFX 0.001655 0.46747 1.83908
24 3NJ4 NAD 0.001655 0.46747 1.83908
25 4J4H 1J1 0.0001929 0.47073 1.9305
26 4J4H NAI 0.0001929 0.47073 1.9305
27 4JK3 NAD 0.0001646 0.45836 1.9305
28 4EMI NAD 0.003619 0.42843 1.95122
29 4EMI FAD 0.003875 0.40997 1.95122
30 1EBF NAD 0.000307 0.42504 1.95531
31 2DFV NAD 0.0007159 0.42382 2.01729
32 3JV7 NAD 0.000954 0.41791 2.02899
33 2WPF FAD 0.002273 0.45358 2.04082
34 2WPF WPF 0.002591 0.45251 2.04082
35 5UAO FAD 0.001997 0.42138 2.04082
36 5JWC FAD 0.0007444 0.40178 2.04082
37 2D2I NAP 0.001079 0.43596 2.10526
38 5J60 FAD 0.001529 0.42816 2.1875
39 1SC6 NAD 0.0008532 0.42842 2.22772
40 4K28 NAD 0.0003808 0.44747 2.23048
41 5LD5 NAD 0.0007399 0.44279 2.23464
42 1GET FAD 0.001823 0.44448 2.2449
43 1GET NAP 0.001959 0.44448 2.2449
44 4NOS H4B 0.04813 0.40031 2.2449
45 3AB4 LYS 0.02476 0.40228 2.24719
46 4TM3 FAD 0.01344 0.40874 2.25734
47 1GUZ NAD 0.002814 0.40436 2.25806
48 3VYW SAM 0.008136 0.40519 2.27273
49 2AHR NAP 0.0001704 0.44114 2.3166
50 2E5V FAD 0.007333 0.40557 2.33051
51 3B20 NAD 0.0004555 0.44788 2.35988
52 5F5N NAD 0.004577 0.40142 2.42215
53 4BV6 FAD 0.003563 0.41451 2.44898
54 1P4A PCP 0.0152 0.40235 2.45614
55 4CJX NAP 0.004212 0.40557 2.50784
56 1GQ2 NAP 0.003303 0.4017 2.52252
57 1US5 GLU 0.01603 0.41164 2.54777
58 1X7D NAD 0.001525 0.41449 2.57143
59 1X7D ORN 0.003006 0.41324 2.57143
60 3HAD NAD 0.0005162 0.45528 2.5974
61 2O4C NAD 0.0005636 0.43395 2.63158
62 1PN0 IPH 0.004112 0.4184 2.65306
63 1PN0 FAD 0.003919 0.4184 2.65306
64 4MIG G3F 0.006553 0.4101 2.65306
65 3A06 NDP 0.001255 0.42456 2.65957
66 3A06 FOM 0.001506 0.42392 2.65957
67 4E5N NAD 0.0004201 0.43886 2.72727
68 1YQZ FAD 0.006742 0.41637 2.73973
69 4RPL 3UC 0.01794 0.40277 2.75689
70 4RPL FAD 0.01802 0.40091 2.75689
71 1LUA NAP 0.001607 0.43569 2.78746
72 1OMO NAD 0.0004374 0.4486 2.79503
73 1FEC FAD 0.0008777 0.44397 2.85714
74 3QVP FAD 0.002802 0.42066 2.85714
75 3TWO NDP 0.0001638 0.46041 2.87356
76 4WCX ALA 0.01292 0.41593 2.91667
77 5T9F TYR 0.00003858 0.48785 2.95203
78 5T9F NAP 0.00004366 0.48432 2.95203
79 5T9E NAP 0.00002658 0.47327 2.95203
80 1Z82 NDP 0.0001859 0.45273 2.98507
81 4BVA NDP 0.002222 0.40014 2.98507
82 2PV7 NAD 0.00000678 0.50842 3.02013
83 5IN4 GDP 0.03318 0.41717 3.02198
84 5IN4 NAP 0.0345 0.41717 3.02198
85 5IN4 6CK 0.03525 0.41646 3.02198
86 5VKT NAP 0.0007063 0.42253 3.03867
87 4M52 FAD 0.001719 0.42822 3.06122
88 1PS9 FAD 0.002605 0.41996 3.06122
89 1Y8Q ATP 0.004453 0.40741 3.17919
90 1LLU NAD 0.0004407 0.44228 3.21637
91 5AYV KPL 0.000151 0.4618 3.23625
92 5AYV NAP 0.00002613 0.46019 3.23625
93 3OJO NAD 0.00007961 0.48306 3.24826
94 3ITJ FAD 0.004406 0.418 3.25444
95 1LJ8 NAD 0.001235 0.43701 3.26531
96 1M2W NAD 0.001584 0.42903 3.26531
97 1X87 NAD 0.001958 0.4252 3.26531
98 3AYI FAD 0.00431 0.42002 3.26531
99 3AYI HCI 0.004502 0.42002 3.26531
100 4YNU FAD 0.004797 0.41216 3.26531
101 4YNU LGC 0.007613 0.40743 3.26531
102 3WQQ NDP 0.00547 0.40704 3.27869
103 3WQQ IB3 0.00547 0.40704 3.27869
104 1RPN NDP 0.001133 0.40804 3.28358
105 4DPL NAP 0.0005068 0.42852 3.34262
106 3G5S FAD 0.0007225 0.43767 3.386
107 3GFB NAD 0.002213 0.41105 3.42857
108 2YVJ FAD 0.004559 0.4061 3.43137
109 1WP4 NDP 0.00008746 0.45797 3.46021
110 2WET FAD 0.001147 0.43422 3.46939
111 1NVM NAD 0.002264 0.41072 3.52564
112 5G3U FDA 0.00144 0.427 3.5461
113 5G3U ITW 0.002575 0.4231 3.5461
114 3VPH NAD 0.003004 0.40856 3.54839
115 3VPH OXM 0.0049 0.40264 3.54839
116 1E5Q NDP 0.0003191 0.44036 3.55556
117 5H81 NAP 0.00008156 0.48704 3.59897
118 3WV8 ATP 0.0002676 0.40802 3.66972
119 1PJS NAD 0.0001726 0.41081 3.67347
120 4DS0 A2G GAL NAG FUC 0.02639 0.41739 3.68098
121 1E1M NAP 0.008575 0.40841 3.69565
122 1E1M FAD 0.008575 0.40841 3.69565
123 1VQW FAD 0.002216 0.41369 3.71991
124 5FJN BE2 0.003239 0.41999 3.72807
125 5FJN FAD 0.002754 0.41999 3.72807
126 4KP7 1UQ 0.004978 0.41059 3.74707
127 4KP7 NAP 0.006094 0.41056 3.74707
128 2QZZ NAP 0.0002772 0.45408 3.77358
129 2QZZ EMF 0.0002982 0.45408 3.77358
130 5BUK FAD 0.002906 0.42097 3.77778
131 2GVC FAD 0.002259 0.41337 3.80313
132 2C29 NAP 0.002951 0.40357 3.85757
133 5MQ6 NDP 0.004507 0.41011 3.87755
134 1MUU NAD 0.000152 0.46347 3.89908
135 1W6F ISZ 0.04102 0.40146 3.95683
136 1YJQ NAP 0.0001182 0.46308 3.9604
137 3C1O NAP 0.0001138 0.44152 4.04984
138 4JBI NDP 0.0007204 0.43636 4.05405
139 1NYT NAP 0.0004083 0.44625 4.05904
140 1F06 NDP 0.0002681 0.45068 4.0625
141 1F06 2NP 0.0002681 0.45068 4.0625
142 4YCA NDP 0.00004115 0.48208 4.08163
143 3OA2 NAD 0.002062 0.40951 4.08805
144 4ZGS NAD 0.000529 0.41675 4.14508
145 1YKF NAP 0.000888 0.41883 4.26136
146 1ZMD NAI 0.002559 0.41426 4.28571
147 4EDF UPG 0.00671 0.40885 4.28571
148 4J36 1HR 0.004302 0.41315 4.33735
149 4J36 FAD 0.002338 0.41279 4.33735
150 4CNK FAD 0.006163 0.40197 4.34783
151 3CGD FAD 0.006506 0.42683 4.375
152 3CGD COA 0.006506 0.42683 4.375
153 3CGD NAD 0.006506 0.42683 4.375
154 2VVM FAD 0.00259 0.41903 4.4898
155 3JUC PCA 0.008291 0.43791 4.57516
156 3ICT ADP 0.0002549 0.50003 4.69388
157 3ICS FAD 0.004839 0.40614 4.69388
158 4L8V NAP 0.001716 0.41397 4.74777
159 5CAE COA 0.0005456 0.44468 4.79233
160 5CAE SIN 0.00123 0.40066 4.79233
161 3NEM ATP 0.02023 0.41037 4.79452
162 4RDH AMP 0.0009446 0.46239 4.86111
163 5JCA FAD 0.003197 0.41738 4.89796
164 5JCA NDP 0.007288 0.41631 4.89796
165 4HNN LYS 0.01742 0.42399 4.91329
166 4OOE NDP 0.0009183 0.42894 4.9505
167 1LSS NAD 0.001231 0.44069 5
168 5L95 AMP 0.0004625 0.46323 5.01792
169 3KIV ACA 0.006207 0.40967 5.06329
170 3LRE ADP 0.0474 0.40458 5.07042
171 3KB6 NAD 0.001032 0.42389 5.08982
172 3GGO ENO 0.00003161 0.49663 5.09554
173 3GGO NAI 0.00003161 0.49663 5.09554
174 2VT3 ATP 0.0001986 0.50535 5.11628
175 1J0X NAD 0.0004969 0.45094 5.12048
176 1WPQ NAD 0.000266 0.42653 5.15759
177 4D3F NAP 0.00007893 0.44035 5.16129
178 2CUL FAD 0.00152 0.42256 5.17241
179 1VI2 NAD 0.0002574 0.42242 5.33333
180 1PL6 572 0.002146 0.41294 5.33708
181 5BSH PRO 0.00005334 0.47493 5.41516
182 1XHC FAD 0.0006085 0.40227 5.44959
183 3ABI NAD 0.0000768 0.45849 5.47945
184 4J56 FAD 0.001569 0.43181 5.5102
185 4GKV NAD 0.0002356 0.42239 5.65476
186 2G5C NAD 0.00003549 0.47132 5.69395
187 2Z3Y F2N 0.0009956 0.43877 5.71429
188 3KLJ FAD 0.0009176 0.42855 5.71429
189 4UP3 FAD 0.002479 0.41979 5.73248
190 1YQD NAP 0.0003651 0.4192 5.7377
191 3WGT FAD 0.004406 0.41632 5.76369
192 3WGT QSC 0.004622 0.41632 5.76369
193 5DN9 NAD 0.001267 0.40048 5.76923
194 1RYO OXL 0.006814 0.43227 5.8104
195 3L9W AMP 0.001299 0.40812 5.81114
196 3AB1 FAD 0.003961 0.41167 5.83333
197 2BOS GLA GAL GLC 0.0339 0.40308 5.88235
198 2BOS GLA GAL GLC NBU 0.03579 0.40104 5.88235
199 1D1T NAD 0.0005084 0.41893 5.89812
200 5UAV TFB 0.00002224 0.49583 5.90062
201 5UAV NDP 0.00002224 0.49583 5.90062
202 1D4D FAD 0.004411 0.41271 5.91837
203 1FWV SGA MAG FUC 0.02003 0.42546 5.97015
204 1JNR FAD 0.01064 0.41595 6
205 5U8U FAD 0.002174 0.44055 6.02911
206 2WDQ TEO 0.02166 0.41703 6.08696
207 4II2 ATP 0.00203 0.43131 6.13497
208 2Q7V FAD 0.0002724 0.45921 6.15385
209 3BY9 SIN 0.03376 0.40815 6.15385
210 5FI3 NAP 0.0007648 0.42132 6.16247
211 1P0F NAP 0.0008172 0.42915 6.16622
212 2FZW NAD 0.002375 0.42355 6.16622
213 2CDU FAD 0.003218 0.41095 6.19469
214 2CDU ADP 0.0001245 0.40959 6.19469
215 2CVZ NDP 0.000139 0.46126 6.22837
216 4XB2 NDP 0.0002616 0.42377 6.26866
217 4XB2 HSE 0.001158 0.42329 6.26866
218 2Y6Q FAD 0.003777 0.40345 6.28141
219 2Y6Q I7T 0.008676 0.40345 6.28141
220 3OND NAD 0.0002484 0.46728 6.35246
221 3OND ADN 0.0002484 0.46728 6.35246
222 2NAD NAD 0.002114 0.41695 6.36132
223 1WDK NAD 0.00002912 0.50123 6.41026
224 5GVR LMR 0.006666 0.43894 6.41026
225 5U5G NAP 0.0001284 0.45542 6.44068
226 2VYN NAD 0.000314 0.44063 6.58683
227 1MV8 NAD 0.000118 0.46405 6.65138
228 4RQU NAD 0.0007077 0.42719 6.66667
229 5M67 3D1 0.000253 0.46795 6.68058
230 5M67 NAD 0.0002807 0.46611 6.68058
231 5M67 ADE 0.000402 0.45973 6.68058
232 5KKA 6V0 0.004304 0.40125 6.73077
233 1DJN ADP 0.002023 0.42461 6.73469
234 4TR9 ASP TRP ASN 0.02324 0.40019 6.73469
235 1HYH NAD 0.001829 0.40264 6.79612
236 1CF2 NAP 0.000003707 0.50307 6.82493
237 1DSS NAD 0.009579 0.40715 6.90691
238 2R4J 13P 0.004227 0.42037 6.93878
239 2R4J FAD 0.004227 0.42037 6.93878
240 1CDO NAD 0.002619 0.41099 6.95187
241 2GBB CIT 0.01526 0.4207 7.05128
242 2DT5 NAD 0.00008628 0.46199 7.109
243 5OFW 9TW 0.04107 0.40229 7.17489
244 1CER NAD 0.0003863 0.44376 7.25076
245 1LDN NAD 0.001413 0.4186 7.27848
246 5JE8 NAD 0.0001866 0.4599 7.28477
247 2GZ3 NAP 0.00307 0.4236 7.37705
248 2F1K NAP 0.000005594 0.51623 7.52688
249 2I3G NAP 0.0005417 0.42289 7.67045
250 1VL1 CIT 0.02848 0.41157 7.75862
251 5KVS NAP 0.002981 0.41454 7.79221
252 1EZ4 NAD 0.001547 0.42 7.86164
253 1YS4 NAP 0.0001478 0.43103 7.9096
254 2YYY NAP 0.0001259 0.45574 8.16327
255 2CDC XYP 0.002194 0.44038 8.19672
256 2CDC NAP 0.003129 0.43385 8.19672
257 2CDC XYS 0.003129 0.43385 8.19672
258 5N53 8NB 0.03637 0.406 8.20513
259 1NPD NAD 0.0003542 0.45234 8.33333
260 2PK3 A2R 0.005761 0.41491 8.72274
261 1UWK NAD 0.002924 0.42179 8.77551
262 1UWK URO 0.002924 0.42179 8.77551
263 2HJR APR 0.001183 0.43431 8.84146
264 2V3B FAD 0.0064 0.40027 9.09091
265 1QO8 FAD 0.006357 0.40537 9.38776
266 1KYQ NAD 0.00002162 0.53322 9.48905
267 1KEV NDP 0.0009285 0.42966 9.68661
268 1ZH8 NAP 0.001343 0.41946 9.70588
269 5VN0 NAI 0.002333 0.41297 9.79592
270 1V8B NAD 0.00009752 0.47062 10.0209
271 2Q0L NAP 0.003035 0.43859 10.6109
272 1E6E FAD 0.002307 0.41663 10.9375
273 1M0S CIT 0.02921 0.40604 10.9589
274 1NVT NAP 0.0007034 0.44017 11.1498
275 4D79 ATP 0.000849 0.45571 11.2319
276 1J49 NAD 0.001316 0.41693 11.4114
277 2HK9 ATR 0.00006415 0.5361 11.6364
278 2HK9 NAP 0.0003867 0.44374 11.6364
279 1P77 ATR 0.0002666 0.51812 11.7647
280 3S5W NAP 0.003779 0.43412 11.879
281 5GZ6 NDP 0.0008305 0.44808 11.9632
282 5GZ6 7C3 0.001427 0.43091 11.9632
283 2XVE FAD 0.003441 0.42935 12.069
284 1JAY NAP 0.000001997 0.49546 12.2642
285 2DBZ NAP 0.000976 0.42188 12.8743
286 5HWK BEZ 0.02085 0.41627 14.1667
287 5X20 NAD 0.0001369 0.44305 14.4231
288 1O8B ABF 0.02878 0.40637 15.9817
289 4JJF FE9 0.0007188 0.42359 16.5698
290 4JJF N2I 0.0009624 0.42359 16.5698
291 4HA6 FAD 0.0044 0.41276 16.9291
292 2F5Z FAD 0.00112 0.43671 17.1875
293 2DC1 NAD 0.002335 0.41015 18.2203
294 4GUT FAD 0.000601 0.45066 18.5484
295 4HSU FAD 0.001123 0.43767 18.5484
296 5N2I NAP 0.0000531 0.44278 20.2586
297 1I36 NAP 0.00001688 0.51603 20.4545
298 3QV1 NAD 0.0008644 0.41331 21.9512
299 2VOH CIT 0.01341 0.43082 23.0769
Pocket No.: 2; Query (leader) PDB : 5E4R; Ligand: 40E; Similar sites found: 16
This union binding pocket(no: 2) in the query (biounit: 5e4r.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5IGI ZIT 0.03651 0.41052 1.99336
2 5IGI GMP 0.03515 0.41052 1.99336
3 4M0R 644 0.04734 0.40388 2.37467
4 2OFW ADX 0.01612 0.40465 2.40385
5 3UIE ADX 0.01304 0.40521 3
6 2CFC NAD 0.03028 0.41289 3.2
7 2R75 01G 0.02951 0.40594 3.25444
8 5G09 6DF 0.02033 0.4151 3.51967
9 1MJH ATP 0.01199 0.41864 4.32099
10 4OAG ADP 0.01155 0.40899 4.77612
11 3MJY IJZ 0.0466 0.40351 4.91329
12 3MJY FMN 0.0466 0.40351 4.91329
13 1L6O SER LEU LYS LEU MET THR THR VAL 0.02887 0.41275 5.26316
14 4JB0 FER 0.01241 0.41601 5.67568
15 3LOO B4P 0.03702 0.40594 6.57534
16 3N26 ARG 0.00607 0.42536 8.53659
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