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Receptor
PDB id Resolution Class Description Source Keywords
6DIO 2.14 Å EC: 1.1.1.88 STRUCTURE OF CLASS II HMG-COA REDUCTASE FROM DELFTIA ACIDOVO NAD BOUND DELFTIA ACIDOVORANS MEVALONATE PATHWAY OXIDOREDUCTASE
Ref.: NEW CRYSTALLOGRAPHIC SNAPSHOTS OF LARGE DOMAIN MOVE BACTERIAL 3-HYDROXY-3-METHYLGLUTARYL COENZYME A RED BIOCHEMISTRY V. 57 5715 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:503;
C:503;
A:503;
B:505;
C:504;
B:507;
A:504;
B:506;
B:504;
B:508;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
EDO B:516;
C:506;
A:510;
B:519;
C:513;
C:514;
B:509;
C:509;
A:508;
A:506;
B:517;
C:505;
C:510;
A:511;
B:510;
A:505;
B:514;
B:511;
B:513;
A:509;
A:507;
B:518;
C:512;
B:515;
C:511;
C:508;
C:507;
B:512;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
CIT A:502;
C:502;
B:502;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
NAD B:501;
C:501;
A:501;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6DIO 2.14 Å EC: 1.1.1.88 STRUCTURE OF CLASS II HMG-COA REDUCTASE FROM DELFTIA ACIDOVO NAD BOUND DELFTIA ACIDOVORANS MEVALONATE PATHWAY OXIDOREDUCTASE
Ref.: NEW CRYSTALLOGRAPHIC SNAPSHOTS OF LARGE DOMAIN MOVE BACTERIAL 3-HYDROXY-3-METHYLGLUTARYL COENZYME A RED BIOCHEMISTRY V. 57 5715 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6EEV - MEV C6 H11 O4 C[C@@](CCO....
2 6DIO - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6EEV - MEV C6 H11 O4 C[C@@](CCO....
2 6DIO - CIT C6 H8 O7 C(C(=O)O)C....
3 1R31 - MEV C6 H11 O4 C[C@@](CCO....
4 4I4B - 1CV C27 H46 N7 O19 P3 S2 C[C@@](C[C....
5 4I6A - HMG C27 H39 N7 O20 P3 S C[C@](CC(=....
6 4I6W - 1CO C6 H12 O3 S C[C@@](CCS....
7 4I56 - 1CZ C27 H44 N7 O19 P3 S2 C[C@](CC(=....
8 4I6Y - MEV C6 H11 O4 C[C@@](CCO....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6EEV - MEV C6 H11 O4 C[C@@](CCO....
2 6DIO - CIT C6 H8 O7 C(C(=O)O)C....
3 1R31 - MEV C6 H11 O4 C[C@@](CCO....
4 4I4B - 1CV C27 H46 N7 O19 P3 S2 C[C@@](C[C....
5 4I6A - HMG C27 H39 N7 O20 P3 S C[C@](CC(=....
6 4I6W - 1CO C6 H12 O3 S C[C@@](CCS....
7 4I56 - 1CZ C27 H44 N7 O19 P3 S2 C[C@](CC(=....
8 4I6Y - MEV C6 H11 O4 C[C@@](CCO....
9 5WPJ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 5WPK - HMG C27 H39 N7 O20 P3 S C[C@](CC(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Ligand no: 2; Ligand: NAD; Similar ligands found: 230
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NHD 0.821429 0.972222
3 NAP 0.811966 0.986111
4 NFD 0.791304 0.946667
5 NXX 0.765766 0.972603
6 DND 0.765766 0.972603
7 AMP NAD 0.74359 0.972222
8 ZID 0.737705 0.986111
9 NAQ 0.729508 0.934211
10 NAE 0.721311 0.959459
11 NA0 0.712 0.972603
12 TAP 0.704 0.921053
13 NDE 0.689922 0.972603
14 NAJ 0.683333 0.972222
15 NDC 0.679389 0.934211
16 NDO 0.674603 0.958904
17 N01 0.656 0.972222
18 CNA 0.642276 0.972603
19 NBP 0.621212 0.922078
20 8ID 0.609756 0.922078
21 A2D 0.576923 0.958333
22 ADP 0.575472 0.931507
23 NGD 0.574803 0.922078
24 BA3 0.566038 0.958333
25 M33 0.564815 0.918919
26 ADP PO3 0.563636 0.957747
27 B4P 0.560748 0.958333
28 AP5 0.560748 0.958333
29 AN2 0.555556 0.918919
30 AT4 0.555556 0.894737
31 GAP 0.553571 0.932432
32 OOB 0.551724 0.972222
33 CA0 0.550459 0.932432
34 9JJ 0.546053 0.898734
35 HEJ 0.545455 0.931507
36 ACP 0.545455 0.906667
37 ATP 0.545455 0.931507
38 DQV 0.544 0.972222
39 ADP ALF 0.54386 0.883117
40 ALF ADP 0.54386 0.883117
41 DAL AMP 0.543103 0.945205
42 APR 0.540541 0.931507
43 AQP 0.540541 0.931507
44 AR6 0.540541 0.931507
45 5FA 0.540541 0.931507
46 ADP VO4 0.53913 0.945205
47 VO4 ADP 0.53913 0.945205
48 AD9 0.535714 0.906667
49 SAP 0.535714 0.883117
50 AGS 0.535714 0.883117
51 WAQ 0.533333 0.896104
52 ABM 0.53271 0.905405
53 DLL 0.529412 0.972222
54 00A 0.529412 0.921053
55 ACQ 0.526316 0.906667
56 NJP 0.526316 0.959459
57 ANP 0.526316 0.906667
58 OAD 0.525 0.932432
59 ADX 0.522523 0.839506
60 5AL 0.521739 0.945205
61 A1R 0.521008 0.871795
62 9SN 0.520325 0.909091
63 A 0.518868 0.930556
64 AMP 0.518868 0.930556
65 50T 0.517857 0.893333
66 ATF 0.517241 0.894737
67 1ZZ 0.516393 0.851852
68 3OD 0.516393 0.932432
69 SON 0.513514 0.92
70 PRX 0.513274 0.881579
71 6YZ 0.512821 0.906667
72 SRP 0.512821 0.92
73 9X8 0.512397 0.883117
74 ADP BMA 0.512397 0.932432
75 3UK 0.512397 0.958904
76 MYR AMP 0.512195 0.851852
77 NAJ PZO 0.510949 0.909091
78 NMN 0.509434 0.875
79 A3R 0.508333 0.871795
80 B5V 0.508197 0.945946
81 AMP DBH 0.507937 0.906667
82 A22 0.504202 0.945205
83 ATP A A A 0.504 0.971831
84 B5M 0.504 0.933333
85 FA5 0.504 0.945946
86 8QN 0.5 0.945205
87 NAX 0.496183 0.886076
88 TYR AMP 0.496063 0.933333
89 PR8 0.495935 0.8625
90 AMO 0.495868 0.92
91 ADQ 0.495868 0.932432
92 4AD 0.495868 0.933333
93 PAJ 0.495868 0.873418
94 A12 0.495495 0.894737
95 AP2 0.495495 0.894737
96 AHZ 0.492308 0.851852
97 YAP 0.492063 0.933333
98 FYA 0.491935 0.918919
99 AHX 0.491803 0.884615
100 4UU 0.488372 0.933333
101 5SV 0.487603 0.8375
102 TAT 0.487179 0.894737
103 T99 0.487179 0.894737
104 APC 0.486957 0.894737
105 SRA 0.486239 0.881579
106 6V0 0.484848 0.909091
107 NAI 0.484848 0.921053
108 GTA 0.484615 0.898734
109 A A 0.483871 0.958333
110 LAD 0.483871 0.873418
111 AU1 0.482456 0.906667
112 F2R 0.481752 0.831325
113 OMR 0.481203 0.841463
114 TXE 0.481203 0.921053
115 AF3 ADP 3PG 0.481203 0.873418
116 LAQ 0.480916 0.851852
117 G3A 0.48062 0.909091
118 B5Y 0.480315 0.933333
119 NB8 0.48 0.884615
120 TXA 0.48 0.92
121 BIS 0.48 0.871795
122 ME8 0.48 0.851852
123 PTJ 0.48 0.884615
124 139 0.477941 0.886076
125 LPA AMP 0.477273 0.851852
126 AFH 0.476923 0.873418
127 AR6 AR6 0.476923 0.958333
128 G5P 0.476923 0.909091
129 ARG AMP 0.476923 0.841463
130 25L 0.47619 0.945205
131 NAJ PYZ 0.475524 0.864198
132 25A 0.47541 0.958333
133 9ZA 0.47541 0.896104
134 9ZD 0.47541 0.896104
135 DZD 0.47482 0.897436
136 TXD 0.473684 0.921053
137 4UV 0.472868 0.933333
138 TYM 0.470149 0.945946
139 RBY 0.470085 0.894737
140 ADV 0.470085 0.894737
141 4TA 0.467626 0.864198
142 48N 0.466165 0.884615
143 XAH 0.465116 0.851852
144 4UW 0.462687 0.897436
145 M24 0.461538 0.886076
146 80F 0.460993 0.853659
147 IOT 0.459854 0.821429
148 T5A 0.456522 0.853659
149 EAD 0.455782 0.886076
150 MAP 0.455285 0.883117
151 GA7 0.454545 0.894737
152 BT5 0.453901 0.821429
153 A4P 0.452555 0.833333
154 UP5 0.451852 0.933333
155 PAP 0.445378 0.917808
156 4TC 0.445255 0.909091
157 AP0 0.445255 0.884615
158 YLP 0.444444 0.831325
159 P1H 0.443709 0.864198
160 AOC 0.442478 0.810811
161 Z5A 0.439189 0.833333
162 LMS 0.4375 0.817073
163 2A5 0.436975 0.857143
164 A G 0.43662 0.921053
165 G A A A 0.43662 0.909091
166 COD 0.43662 0.802326
167 ADJ 0.435714 0.841463
168 YLB 0.434783 0.831325
169 YLC 0.434783 0.851852
170 U A G G 0.433566 0.921053
171 ATR 0.433333 0.90411
172 7MD 0.432836 0.851852
173 8X1 0.432 0.764045
174 G5A 0.429752 0.790698
175 PO4 PO4 A A A A PO4 0.429688 0.943662
176 TAD 0.42963 0.873418
177 5AS 0.42735 0.770115
178 BTX 0.426573 0.831325
179 YLA 0.425532 0.831325
180 DSZ 0.425197 0.790698
181 NCN 0.424779 0.805556
182 UPA 0.42446 0.921053
183 8PZ 0.424242 0.811765
184 VMS 0.424 0.8
185 54H 0.424 0.8
186 9K8 0.423077 0.744444
187 N0B 0.422819 0.853659
188 6AD 0.422764 0.85
189 AYB 0.422535 0.821429
190 7D3 0.422414 0.844156
191 YLY 0.421769 0.821429
192 TSB 0.420635 0.809524
193 ODP 0.41958 0.922078
194 AV2 0.419355 0.855263
195 FB0 0.419355 0.775281
196 A5A 0.419355 0.819277
197 NNR 0.419048 0.739726
198 A A A 0.418605 0.918919
199 U A 0.417808 0.946667
200 649 0.417266 0.775281
201 NMN AMP PO4 0.416667 0.933333
202 SSA 0.416 0.790698
203 P5A 0.415385 0.755556
204 LSS 0.414062 0.772727
205 A2R 0.412698 0.918919
206 52H 0.412698 0.790698
207 JB6 0.412214 0.896104
208 5N5 0.411215 0.783784
209 YSA 0.410448 0.811765
210 53H 0.409449 0.790698
211 5CA 0.409449 0.790698
212 ITT 0.408333 0.878378
213 7D4 0.408333 0.844156
214 NA7 0.407692 0.894737
215 LEU LMS 0.407692 0.784091
216 5CD 0.407407 0.794521
217 0WD 0.406897 0.909091
218 A3P 0.40678 0.930556
219 HFD 0.406504 0.883117
220 AVV 0.40625 0.860759
221 RAB 0.40566 0.808219
222 XYA 0.40566 0.808219
223 ADN 0.40566 0.808219
224 FDA 0.405063 0.823529
225 GSU 0.40458 0.790698
226 7MC 0.404255 0.831325
227 NSS 0.403101 0.811765
228 6FA 0.402516 0.853659
229 PPS 0.4 0.817073
230 NVA LMS 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6DIO; Ligand: CIT; Similar sites found with APoc: 404
This union binding pocket(no: 1) in the query (biounit: 6dio.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5APK 76E None
2 2GJ3 FAD None
3 5IXK 6EW None
4 4OAS 2SW None
5 4JGX PLM None
6 4HBM 0Y7 None
7 4S15 4D8 None
8 1OQC FAD None
9 1BWO LPC None
10 3R1V AZB None
11 4WPF 3SN 1.13636
12 4XPL ACO 1.22699
13 3MPI GRA 1.25945
14 6CB2 OLC 1.36519
15 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 1.36986
16 4JWF SAH 1.38249
17 3PF7 MLA 1.3986
18 1GQ2 NAP 1.3986
19 3ANP DCC 1.47059
20 6B21 C9V 1.47783
21 5Y24 GLY MET PRO ARG GLY ALA 1.51515
22 4JIQ FMN 1.59151
23 4JIQ 1L5 1.59151
24 3G5N PB2 1.6317
25 5YS9 FAD 1.6317
26 4GU5 FAD 1.6317
27 4RW3 TDA 1.65563
28 3ET3 ET1 1.71233
29 3WGT FAD 1.72911
30 6GL8 F3Q 1.74419
31 2HFP NSI 1.77305
32 4RC8 STE 1.8018
33 2P4Y C03 1.80505
34 3FUR Z12 1.83824
35 5TWO 7MV 1.83824
36 3G9E RO7 1.84502
37 2PRG BRL 1.84502
38 5TUX ECH 1.85759
39 3AHQ FAD 1.8648
40 4QWT ACD 1.8648
41 3DJL FAD 1.8648
42 3B99 U51 1.8648
43 3IL6 B83 1.86916
44 3GWL FAD 1.88679
45 3RWP ABQ 1.92926
46 1DMH LIO 1.92926
47 5WRE 7TL 1.93548
48 4UIB GWX 1.9544
49 5MWY YNU 1.96721
50 5L7G 6QE 1.96721
51 4TMC FMN 1.98511
52 4TMC HBA 1.98511
53 1YMT DR9 2.03252
54 4QJR PIZ 2.04082
55 2Z7I 742 2.05882
56 5XQL C2E 2.06186
57 1ZDT PEF 2.07469
58 5OSW AE4 2.0979
59 4COL DTP 2.0979
60 6C1R EFD 2.1327
61 3MBG FAD 2.15827
62 4UDB CV7 2.20588
63 1N83 CLR 2.22222
64 5LPA 71R 2.22222
65 5LPA ATP 2.22222
66 6BR9 6OU 2.22841
67 4RNX FMN 2.25
68 4C3Y ANB 2.26415
69 4C3Y FAD 2.26415
70 4DE3 DN8 2.28137
71 1YKI FMN 2.30415
72 1YKI NFZ 2.30415
73 5BYK OAQ 2.3166
74 5BYK A3P 2.3166
75 4LY9 1YY 2.331
76 4LY9 S6P 2.331
77 4ZBR NPS 2.331
78 1DNP FAD 2.331
79 1VKO NAD 2.331
80 5HCV 60R 2.33463
81 5NTW 98N 2.33463
82 2A3I C0R 2.37154
83 3RY9 1CA 2.4
84 3O55 FAD 2.4
85 5B4B LP5 2.41935
86 4PGK Y69 2.45902
87 5NTP 98E 2.52101
88 2WZV FMN 2.55319
89 6D28 NEC 2.5641
90 3T58 FAD 2.5641
91 4PFC 2QX 2.5641
92 6FX0 E9T 2.5641
93 1XON PIL 2.5788
94 3GZ9 D32 2.60223
95 5B25 4QJ 2.66272
96 3FPF MTA 2.68456
97 3FPF TNA 2.68456
98 3LDW ZOL 2.77778
99 4QO5 NAG 2.7972
100 5KOR GDP 2.7972
101 3G5D 1N1 2.7972
102 5O7E 9NB 2.79898
103 3PFD FDA 2.79898
104 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 2.83688
105 3HR1 PF9 2.89474
106 3ATY FMN 2.90237
107 1LEK GLU GLN TYR LYS PHE TYR SER VAL 2.91971
108 5F1R 42O 2.95359
109 2GFD RDA 2.9661
110 5NM7 GLY 3.00752
111 1U3D FAD 3.0303
112 5LOF 70R 3.0303
113 2HKJ RDC 3.0303
114 2PR5 FMN 3.0303
115 5Y9D FAD 3.0303
116 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.06122
117 4L1F COS 3.13316
118 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 3.15789
119 5LX9 OLB 3.16901
120 2VHW NAI 3.18302
121 1HG4 LPP 3.22581
122 4RNV FMN 3.25
123 1OYB HBA 3.25
124 1OYB FMN 3.25
125 3D9F FAD 3.2634
126 3D9F N6C 3.2634
127 4KVL PLM 3.2634
128 5OHJ 9VE 3.2634
129 3MKH FAD 3.2634
130 2ZPA ACO 3.2634
131 3GYT DL4 3.27869
132 4XU6 TDA 3.33333
133 4XOQ F42 3.38164
134 4WUJ FMN 3.40136
135 5NJI 8Z2 3.41615
136 5AEI LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 3.4965
137 1UA4 BGC 3.4965
138 1UA4 GLC 3.4965
139 6GBV FMN 3.4965
140 3IPQ 965 3.53357
141 3KFC 61X 3.55731
142 5J6D 6H5 3.58306
143 4GCZ FMN 3.63636
144 4DK7 0KS 3.64372
145 3EE4 MYR 3.71517
146 1NP7 FAD 3.7296
147 2O1V ADP 3.7296
148 5K0S 0OU 3.7296
149 1YYE 196 3.73134
150 6ESN BWE 3.74532
151 1YC4 43P 3.78788
152 1K7L 544 3.81944
153 4JWH SAH 3.83387
154 3SP6 IL2 3.85965
155 1SR7 MOF 3.861
156 4OAR 2S0 3.87597
157 2I0G I0G 3.89105
158 3T50 FMN 3.90625
159 3L0E G58 3.95257
160 5XJ8 NKO 3.9801
161 3AJH BL3 4.03226
162 1UDY FAD 4.0404
163 5DEY 59T 4.0404
164 2LBD REA 4.11985
165 4DM8 REA 4.11985
166 3KMZ EQO 4.13534
167 3KMR EQN 4.13534
168 3P0K FAD 4.13534
169 1U3R 338 4.14938
170 3OLL EST 4.16667
171 2YJD YJD 4.16667
172 4J26 EST 4.16667
173 6B5Q PPI CZS 2KY MLY 1XY 4.1958
174 4AQL TXC 4.1958
175 2VL8 CTS 4.1958
176 1N46 PFA 4.26357
177 5HGR 45D 4.30769
178 4PJT 2YQ 4.32432
179 4B7P 9UN 4.34783
180 3WYJ H78 4.34783
181 6CHP F0Y 4.34783
182 2YI0 YI0 4.36681
183 5SVV FMN 4.37956
184 4Y9J UCC 4.4289
185 3QCP FAD 4.4289
186 5IM3 DTP 4.4289
187 4Y9J FAD 4.4289
188 1BUC CAA 4.43864
189 1BGQ RDC 4.44444
190 1V0C ACO 4.45545
191 1V0C KNC 4.45545
192 5UC4 83S 4.54545
193 4V24 GYR 4.58221
194 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 4.60526
195 1FCH TYR GLN SER LYS LEU 4.61957
196 1FX8 BOG 4.62633
197 1FCZ 156 4.68085
198 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 4.70085
199 5A4W QCT 4.71698
200 1M13 HYF 4.74684
201 4ELG 52I 4.81928
202 4ELG 52J 4.81928
203 2HHP FLC 4.8951
204 3FAL LO2 4.95868
205 3FAL REA 4.95868
206 1RDT L79 4.95868
207 1RDT 570 4.95868
208 1YRX FMN 4.95868
209 3LLI FAD 4.98084
210 3WDM ADN 4.98084
211 1FM9 9CR 5.04202
212 1FM9 570 5.04202
213 3E85 BSU 5.06329
214 2AX9 BHM 5.07812
215 4MGD 27N 5.09804
216 4MGB XDH 5.09804
217 4R57 ACO 5.11364
218 2WPF WPF 5.12821
219 1JR8 FAD 5.12821
220 1DKF BMS 5.15021
221 5AAV GW5 5.15873
222 3UUA 0CZ 5.17928
223 4POJ 2VP 5.19481
224 4M8E 29V 5.19481
225 2HFN FMN 5.22876
226 1UHK CZN 5.2356
227 2QE4 JJ3 5.24194
228 2Q4V ACO 5.29412
229 1RQJ RIS 5.35117
230 4V3I ASP LEU THR ARG PRO 5.44747
231 4QC6 30N 5.58659
232 3V49 PK0 5.6391
233 3QLM PLM 5.64516
234 1S8G DAO 5.78512
235 2Q6B HR2 5.82751
236 5HWO HMG 5.82751
237 3TGE TGE 5.82822
238 5XDT ZI7 5.84416
239 1TV5 N8E 5.86907
240 4URL XAM 5.91133
241 4G86 BNT 5.98592
242 2Q1H AS4 6
243 1NHZ 486 6.07143
244 5G5W R8C 6.07143
245 5K53 STE 6.10687
246 5WGD EST 6.13027
247 5DXE EST 6.13027
248 5WGQ EST 6.13027
249 5DXG EST 6.13027
250 3GWN FAD 6.14035
251 6BMS PLM 6.15836
252 2QZO KN1 6.20155
253 5HYR EST 6.20155
254 2QA8 GEN 6.20155
255 4LSJ LSJ 6.20155
256 4MG7 27H 6.27451
257 4TUZ 36J 6.27451
258 4MG8 27J 6.27451
259 4MGA 27L 6.27451
260 4NSQ COA 6.31579
261 3ZLR X0B 6.32911
262 5AZC PGT 6.33333
263 2BJ4 OHT 6.34921
264 3UUD EST 6.3745
265 4TV1 36M 6.3745
266 2HJ3 FAD 6.4
267 5N2I NAP 6.46552
268 6GD6 EVB 6.48148
269 5BQI GSH 6.49351
270 5BQI 4UL 6.49351
271 5DX3 EST 6.51341
272 2E2R 2OH 6.55738
273 2BYC FMN 6.56934
274 1M2Z DEX 6.61479
275 1M2Z BOG 6.61479
276 3BQD DAY 6.66667
277 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 6.69456
278 3ABA FLI 6.69975
279 3BEJ MUF 6.72269
280 2RH1 CLR 6.75991
281 1EWF PC1 6.75991
282 5X1M DHB 6.75991
283 4E2J MOF 6.8
284 3DCT 064 6.80851
285 3GN8 DEX 6.82731
286 2O4J VD4 6.84932
287 5UFS 1TA 6.85484
288 3OKI OKI 6.86695
289 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 6.89655
290 1DB1 VDX 6.94981
291 1JQI CAA 6.95876
292 4IBF 1D5 6.97674
293 3RUU 37G 6.9869
294 5ICK FEZ 6.9869
295 6A5Y 9R0 7.01754
296 6A5Y 9CR 7.01754
297 5A89 ADP 7.05128
298 5A89 FMN 7.05128
299 1YUC EPH 7.05882
300 4OIV XX9 7.07965
301 2Q2Y ADP 7.08447
302 2Q2Y MKR 7.08447
303 4IGH FMN 7.25806
304 4IGH ORO 7.25806
305 4IGH 1EA 7.25806
306 2BCG GER 7.28155
307 4IAE 1DX 7.40741
308 5URV NER 7.43243
309 1TMX HGX 7.50853
310 4ZVV NAD 7.53012
311 4ZVV GN0 7.53012
312 2JJK R15 7.69231
313 3G08 FEE 7.7193
314 3U3U EAH 7.72532
315 3IS2 FAD 7.79221
316 1GNI OLA 7.92541
317 4B5P ACO 8
318 2XSU PIE 8.01282
319 3D72 FAD 8.05369
320 4UUJ XA7 8.10811
321 3RDE OYP 8.15851
322 1QNF FAD 8.15851
323 3L9R L9R 8.16327
324 3L9R L9Q 8.16327
325 1H9G COA MYR 8.23045
326 5IH1 6BQ 8.27815
327 5IH1 GDP 8.27815
328 4R38 RBF 8.57143
329 5AE2 FYC 8.62471
330 5AE2 FAD 8.62471
331 3SCM LGN 8.69565
332 1DTL BEP 8.69565
333 4Q0A 4OA 8.9404
334 5LGA 6VH 9
335 5E7V M7E 9
336 2VBQ BSJ 9.09091
337 1RX0 2MC 9.16031
338 1RX0 FAD 9.16031
339 5LWY OLB 9.34579
340 4X6F 3XU 9.52381
341 3LEO GSH 9.67742
342 3EWK FAD 9.69163
343 5K52 OCD 9.81132
344 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 10
345 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 10
346 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 10
347 2WOR 2AN 10
348 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 10
349 5T70 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 10.101
350 5U98 1KX 10.101
351 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 10.101
352 3DBX PLM 10.101
353 4D7M TDC 10.1382
354 6BJ3 ILE PRO LEU THR GLU GLU ALA GLU LEU 10.2941
355 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 10.5
356 5J6A P46 10.5
357 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 10.5
358 4URN NOV 10.6667
359 3R5W F42 10.7143
360 3VRV YSD 11.0701
361 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 11.2971
362 3SFI 3SF 11.4407
363 1ELR ACE MET GLU GLU VAL ASP 11.4504
364 5NI5 8YB 11.4583
365 4LWU 20U 11.7647
366 3NJQ NJQ 11.9171
367 4P3H 25G 11.9171
368 4FR3 0V4 11.9658
369 5ZBL AMP 12.3153
370 1NF8 BOG 13.0435
371 4U63 FAD 13.2867
372 4P6X HCY 13.3333
373 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 13.3739
374 3JZB 4HY 13.4831
375 4P6W MOF 13.4921
376 4OGQ 7PH 13.5135
377 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 14.218
378 4YSX E23 14.3617
379 5UC1 486 14.8649
380 5F2T PLM 15.5844
381 6FS0 E4W 15.7233
382 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 17.3469
383 2R40 20E 17.8707
384 6F6E PLM 18.038
385 4TMK T5A 18.7793
386 5BNS 4VM 18.9274
387 1XVB 3BR 20.5882
388 1XVB BHL 20.5882
389 3QUZ QUV 21.5768
390 5ZCO PGV 22.0183
391 5Z84 PGV 22.0183
392 2DYR PGV 22.0183
393 5Z84 PEK 22.0183
394 2DYR PEK 22.0183
395 5ZCO PEK 22.0183
396 4NB5 2JT 22.807
397 4XB4 45D 23.0263
398 5MT9 ARG 23.3333
399 5MT9 SRO 23.3333
400 4I67 G G G RPC 24.1379
401 1UO4 PIH 26.4706
402 5N8V KZZ 33.3333
403 5X8Q 82R 36.3636
404 4J24 EST 47.3684
Pocket No.: 2; Query (leader) PDB : 6DIO; Ligand: CIT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6dio.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6DIO; Ligand: NAD; Similar sites found with APoc: 116
This union binding pocket(no: 3) in the query (biounit: 6dio.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPE TM3 None
2 5U32 GDP None
3 1SQ5 ADP 0.649351
4 1GOJ ADP 1.40845
5 1BG2 ADP 1.53846
6 2AWN ADP 1.5748
7 3COB ADP 1.62602
8 4IEE AGS 1.6317
9 2ZR9 DTP 2.00573
10 2J5V PCA 2.17984
11 1OBD AMP 2.28758
12 1NE7 16G 2.42215
13 2KIN ADP 2.52101
14 2CE7 ADP 2.5641
15 4FRZ ADP 2.59067
16 2PZE ATP 2.62009
17 1U0J ADP 2.62172
18 4YDS ATP 2.63158
19 1RRC ADP 2.65781
20 4V03 ADP 2.72374
21 2Y65 ADP 2.73973
22 2ACV UDP 2.7972
23 5Z69 AGS 2.7972
24 4YJ1 ADP 2.7972
25 1OXV ANP 2.83286
26 4FCW ADP 2.89389
27 6BYF CIT 2.94118
28 3H4S ADP 2.96296
29 6D3U 83Y BDP 83Y GCD 2.9703
30 2BQP GLC 2.99145
31 5NM7 GLY 3.00752
32 6A20 ADP 3.0303
33 2ZL4 ALA ALA ALA ALA 3.06122
34 2YFB SIN 3.10078
35 1P6O HPY 3.10559
36 2XT3 ADP 3.19767
37 2WHX ADP 3.2634
38 1MID LAP 3.2967
39 3LRE ADP 3.38028
40 1P4V GLY 3.38983
41 4WZ6 ATP 3.44828
42 1F9V ADP 3.45821
43 1R0X ATP 3.4965
44 4F97 GDP 3.4965
45 5E5U MLI 3.51759
46 1XX6 ADP 3.66492
47 2VVG ADP 3.71429
48 1JJ7 ADP 3.84615
49 5YV5 ADP 3.9627
50 1YQT ADP 3.9627
51 5ME4 HP4 4.0146
52 6FLZ MMA 4.16667
53 2OG2 MLI 4.17827
54 5ZXD ATP 4.4289
55 1XMV ADP 4.49438
56 3B5J 12D 4.52675
57 4BQS ADP 4.54545
58 4PU6 ASP 4.58015
59 5URY PAM 4.79452
60 6MVU K4V 4.8951
61 2QZ4 ADP 4.96183
62 3B9Q MLI 4.96689
63 2NCD ADP 5
64 1T3D CYS 5.19031
65 1XP8 AGS 5.19126
66 1T9D P22 5.36131
67 1JI0 ATP 5.41667
68 1G6H ADP 5.44747
69 3NHB ADP 5.55556
70 1XPJ TLA 5.55556
71 4PPF FLC 5.71429
72 2VOH CIT 5.73248
73 1OYF MHN 5.78512
74 2Q6B HR2 5.82751
75 4XFR CIT 5.8548
76 3FXU TSU 5.90164
77 1T5C ADP 6.01719
78 4U00 ADP 6.14754
79 5ENZ UDP 6.23377
80 4O48 ASP 6.3253
81 3VPD BUA 6.40569
82 3VPD CIT 6.40569
83 4HXY ACA 6.52681
84 1R6B ADP 6.52681
85 3BRE C2E 6.75991
86 3ZUY TCH 6.81115
87 6C0B PAM 7.05128
88 2D2F ADP 7.2
89 2W58 ADP 7.42574
90 3NBC LAT 7.43243
91 6F5W KG1 7.85908
92 1APZ ASP 8.51064
93 5N53 8NB 8.71795
94 2V7Q ADP 9.09091
95 5J32 IPM 9.42928
96 1G8S MET 9.56522
97 1B0U ATP 9.92366
98 5C9J DAO 10.101
99 1SJD NPG 10.3261
100 2F7A BEZ 10.3448
101 3DC4 ADP 10.7558
102 4USI AKG 11.039
103 6MFL OPV 11.039
104 1B4B ARG 11.2676
105 4L50 D8X 11.6541
106 4YMU ATP 11.6667
107 3HY2 ATP 11.8182
108 3W5J GDP 14.2157
109 5H67 ATP 15
110 2CBZ ATP 16.0338
111 3ZIA ADP 17.3913
112 1LNX URI 22.2222
113 4O4Z N2O 22.7273
114 2D5X L35 23.2877
115 1WUW TSU 24.4444
116 3KIF GDL 29.2453
Pocket No.: 4; Query (leader) PDB : 6DIO; Ligand: NAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 6dio.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6DIO; Ligand: CIT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 6dio.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6DIO; Ligand: NAD; Similar sites found with APoc: 39
This union binding pocket(no: 6) in the query (biounit: 6dio.bio3) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 3N75 G4P 1.1655
2 6CB2 OLC 1.36519
3 5OES ADP 1.3986
4 5YFT RI2 1.85185
5 4TQK NAG 2.46305
6 1FDJ 13P 2.47934
7 4K10 NI9 2.48619
8 4PVR ASP 2.90323
9 1F20 NAP 3.0303
10 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.06122
11 5LX9 OLB 3.16901
12 1Q19 SSC 3.7296
13 1YYE 196 3.73134
14 5D63 FUC GLA GLA 3.75427
15 3P2H NOO 3.9801
16 4X1B MLI 4.1958
17 3HCH RSM 4.79452
18 2Q0L NAP 4.82315
19 2HHP FLC 4.8951
20 3FAL REA 4.95868
21 6H8S FSZ 5.31561
22 3MBC NAP 5.36131
23 4V3I ASP LEU THR ARG PRO 5.44747
24 1TV5 N8E 5.86907
25 4G86 BNT 5.98592
26 4TV1 36M 6.3745
27 4UP4 GAL NAG 6.48379
28 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 6.69456
29 1DTL BEP 8.69565
30 2GUC MAN 11.4754
31 2GUD MAN 11.4754
32 2NU5 NAG 11.4754
33 3DFR MTX 11.7284
34 1NF8 BOG 13.0435
35 4OGQ 7PH 13.5135
36 2DVZ GLU 14.6497
37 4OWK NGA 18.8406
38 1XVB 3BR 20.5882
39 1UO4 PIH 26.4706
Pocket No.: 7; Query (leader) PDB : 6DIO; Ligand: NAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 6dio.bio3) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 6DIO; Ligand: CIT; Similar sites found with APoc: 10
This union binding pocket(no: 8) in the query (biounit: 6dio.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2OKK ABU 1.3986
2 3QDK QDK 1.6317
3 3RS8 ALA TRP LEU PHE GLU ALA 1.6317
4 3NB0 G6P 2.0979
5 5IUY BOG 2.5641
6 1Q7E MET 3.27103
7 5X3R 7Y3 6.82927
8 1ONI BEZ 10.1449
9 4V1F BQ1 11.6279
10 1UO5 PIH 23.5294
Pocket No.: 9; Query (leader) PDB : 6DIO; Ligand: CIT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 6dio.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 6DIO; Ligand: NAD; Similar sites found with APoc: 42
This union binding pocket(no: 10) in the query (biounit: 6dio.bio3) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 5BU2 AMP 1.6317
2 3ITJ CIT 1.77515
3 5XQL C2E 2.06186
4 3NB0 G6P 2.0979
5 5Y79 3PG 2.43161
6 6D28 NEC 2.5641
7 5VZ0 2BA 2.7972
8 3X01 AMP 2.79898
9 2OFW ADX 3.36538
10 3OIG IMJ 3.38346
11 4WGF HX2 3.41463
12 1YC4 43P 3.78788
13 4UBS DIF 3.81679
14 4TR9 38D 4.33604
15 1GXU 2HP 4.3956
16 5UC4 83S 4.54545
17 3GJ3 GDP 4.97738
18 3GJ5 GDP 4.97738
19 5BXQ GDP 5.09259
20 2JHP GUN 5.12821
21 1JAC AMG 5.26316
22 1TOQ AMG 5.26316
23 1M26 GAL A2G 5.26316
24 4URS C2E 5.31915
25 1C3M MAN MAN 6.12245
26 3GJ7 GDP 6.12245
27 4TUZ 36J 6.27451
28 1M2Z BOG 6.61479
29 5X3R 7Y3 6.82927
30 2BCG GER 7.28155
31 5H1W LER 7.93103
32 5CXI 5TW 8.37438
33 4Q0A 4OA 8.9404
34 5LWY OLB 9.34579
35 4R3U 5AD 10.7595
36 2HYR BGC GLC 11.4754
37 2NUO BGC 11.4754
38 2HYQ MAN MAN 11.4754
39 4V1F BQ1 11.6279
40 1H0A I3P 15.8228
41 3GJ4 GDP 21.2121
42 1UO5 PIH 23.5294
Pocket No.: 11; Query (leader) PDB : 6DIO; Ligand: NAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 6dio.bio3) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 6DIO; Ligand: CIT; Similar sites found with APoc: 13
This union binding pocket(no: 12) in the query (biounit: 6dio.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4WT2 3UD None
2 5IBE 69M 1.51515
3 3FEI CTM 1.87266
4 4RNV HBA 3.25
5 2VPR TDC 3.38164
6 2JC9 ADN 3.4965
7 4YV5 SVR 4.91803
8 4ORM 2V6 6.23441
9 4ORM ORO 6.23441
10 4ORM FMN 6.23441
11 3M31 FAD 6.95876
12 1YOK P6L 7.03125
13 1DJL NAP 8.21256
Pocket No.: 13; Query (leader) PDB : 6DIO; Ligand: CIT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 6dio.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 6DIO; Ligand: NAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 6dio.bio3) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 6DIO; Ligand: NAD; Similar sites found with APoc: 1
This union binding pocket(no: 15) in the query (biounit: 6dio.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 3BEO UDP 4.53333
Pocket No.: 16; Query (leader) PDB : 6DIO; Ligand: CIT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 6dio.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 6DIO; Ligand: NAD; Similar sites found with APoc: 2
This union binding pocket(no: 17) in the query (biounit: 6dio.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 1XQP 8HG 2.34375
2 3HQP OXL 3.0303
Pocket No.: 18; Query (leader) PDB : 6DIO; Ligand: CIT; Similar sites found with APoc: 3
This union binding pocket(no: 18) in the query (biounit: 6dio.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3KDU NKS 1.80505
2 1A8R GTP 2.5641
3 3HGM ATP 8.16327
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