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Receptor
PDB id Resolution Class Description Source Keywords
3O0Q 1.8 Å EC: 1.17.4.1 THERMOTOGA MARITIMA RIBONUCLEOTIDE REDUCTASE, NRDJ, IN COMPL DTTP, GDP AND ADENOSINE THERMOTOGA MARITIMA 10 ALPHA/BETA BARREL ADENOSYLCOBALAMIN DEPENDENT RIBONUCLEREDUCTASE REDUCTION RIBONUCLEOTIDE 2-prime -OH POSITION EFFECTOSUBSTRATE GDP OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR ADENOSYLCOBALAMIN ACTIVATION I ADOCBL-DEPENDENT RIBONUCLEOTIDE REDUCTASES. ACS CHEM.BIOL. V. 5 933 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADN A:1004;
B:1004;
Valid;
Valid;
none;
none;
submit data
267.241 C10 H13 N5 O4 c1nc(...
CL A:1005;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GDP A:1003;
B:1003;
Valid;
Valid;
none;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
MG A:1002;
B:1002;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
TTP A:1001;
B:1001;
Valid;
Valid;
none;
none;
submit data
482.168 C10 H17 N2 O14 P3 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3O0Q 1.8 Å EC: 1.17.4.1 THERMOTOGA MARITIMA RIBONUCLEOTIDE REDUCTASE, NRDJ, IN COMPL DTTP, GDP AND ADENOSINE THERMOTOGA MARITIMA 10 ALPHA/BETA BARREL ADENOSYLCOBALAMIN DEPENDENT RIBONUCLEREDUCTASE REDUCTION RIBONUCLEOTIDE 2-prime -OH POSITION EFFECTOSUBSTRATE GDP OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR ADENOSYLCOBALAMIN ACTIVATION I ADOCBL-DEPENDENT RIBONUCLEOTIDE REDUCTASES. ACS CHEM.BIOL. V. 5 933 2010
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1XJG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1XJJ - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
3 1XJN - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
4 1XJM - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
5 1XJF - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
6 1XJE - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
7 3O0N - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
8 3O0Q - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 3O0O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 1XJK - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1XJG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1XJJ - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
3 1XJN - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
4 1XJM - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
5 1XJF - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
6 1XJE - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
7 3O0N - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
8 3O0Q - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 3O0O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 1XJK - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1XJG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1XJJ - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
3 1XJN - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
4 1XJM - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
5 1XJF - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
6 1XJE - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
7 3O0N - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
8 3O0Q - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 3O0O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 1XJK - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADN; Similar ligands found: 305
No: Ligand ECFP6 Tc MDL keys Tc
1 RAB 1 1
2 ADN 1 1
3 XYA 1 1
4 5N5 0.811321 0.967742
5 5CD 0.796296 0.920635
6 A4D 0.796296 0.967742
7 MTA 0.758621 0.878788
8 EP4 0.754386 0.852941
9 M2T 0.741379 0.828571
10 DTA 0.741379 0.865672
11 AMP 0.709677 0.842857
12 A 0.709677 0.842857
13 3DH 0.704918 0.878788
14 ZAS 0.68254 0.84058
15 LMS 0.68254 0.7375
16 5AD 0.672727 0.854839
17 SRA 0.671875 0.797297
18 6RE 0.671875 0.830986
19 DSH 0.661538 0.842857
20 AOC 0.661538 0.907692
21 7D7 0.660714 0.875
22 ABM 0.651515 0.819444
23 A2D 0.651515 0.84507
24 J7C 0.651515 0.842857
25 A3N 0.651515 0.923077
26 ADP 0.647059 0.84507
27 S4M 0.641791 0.766234
28 GJV 0.641791 0.819444
29 3AM 0.640625 0.828571
30 AN2 0.637681 0.833333
31 BA3 0.632353 0.84507
32 A12 0.632353 0.810811
33 AP2 0.632353 0.810811
34 MAO 0.632353 0.75641
35 Y3J 0.627119 0.828125
36 5AS 0.623188 0.714286
37 AP5 0.623188 0.84507
38 B4P 0.623188 0.84507
39 ATP 0.619718 0.84507
40 HEJ 0.619718 0.84507
41 5X8 0.619718 0.865672
42 AT4 0.614286 0.810811
43 A7D 0.614286 0.909091
44 SON 0.614286 0.786667
45 5FA 0.611111 0.84507
46 AQP 0.611111 0.84507
47 APC 0.611111 0.810811
48 26A 0.606557 0.893939
49 2FA 0.606557 0.924242
50 ADX 0.605634 0.759494
51 AU1 0.605634 0.821918
52 CA0 0.605634 0.821918
53 MHZ 0.605634 0.75641
54 M33 0.605634 0.833333
55 AGS 0.60274 0.8
56 AD9 0.60274 0.821918
57 SAP 0.60274 0.8
58 2AM 0.6 0.842857
59 ACP 0.597222 0.821918
60 SFG 0.597222 0.850746
61 50T 0.597222 0.833333
62 MTP 0.590164 0.852941
63 APR 0.589041 0.84507
64 PRX 0.589041 0.797297
65 AR6 0.589041 0.84507
66 A3G 0.588235 0.938462
67 ACQ 0.586667 0.821918
68 T99 0.586667 0.810811
69 TAT 0.586667 0.810811
70 A3P 0.585714 0.816901
71 SA8 0.581081 0.794521
72 RBY 0.581081 0.810811
73 A5D 0.581081 0.865672
74 ADP PO3 0.581081 0.842857
75 ADV 0.581081 0.810811
76 6MD 0.580645 0.952381
77 1DA 0.580645 1
78 ADQ 0.575 0.847222
79 OVE 0.573529 0.808219
80 SAH 0.573333 0.84058
81 G5A 0.573333 0.714286
82 SAI 0.573333 0.828571
83 A22 0.56962 0.833333
84 ANP 0.565789 0.821918
85 GAP 0.565789 0.821918
86 SAM 0.565789 0.773333
87 NEC 0.565217 0.876923
88 3AD 0.564516 0.951613
89 6YZ 0.564103 0.821918
90 25A 0.5625 0.819444
91 7D5 0.560606 0.780822
92 5AL 0.558442 0.808219
93 AAT 0.558442 0.819444
94 EEM 0.558442 0.773333
95 ADP ALF 0.551282 0.776316
96 ATF 0.551282 0.810811
97 A5A 0.551282 0.719512
98 ALF ADP 0.551282 0.776316
99 CC5 0.55 0.935484
100 A3S 0.547945 0.953125
101 SSA 0.544304 0.73494
102 S7M 0.544304 0.773333
103 ADP VO4 0.544304 0.808219
104 VO4 ADP 0.544304 0.808219
105 SRP 0.544304 0.810811
106 SMM 0.544304 0.74359
107 QQX 0.544118 0.756757
108 S8M 0.54321 0.805556
109 ADP BMA 0.542169 0.847222
110 A2P 0.541667 0.802817
111 3L1 0.539683 0.907692
112 3D1 0.539683 0.907692
113 PAP 0.539474 0.830986
114 VMS 0.5375 0.702381
115 52H 0.5375 0.694118
116 54H 0.5375 0.702381
117 LSS 0.536585 0.678161
118 QQY 0.536232 0.767123
119 ACK 0.536232 0.811594
120 A3T 0.533333 0.968254
121 53H 0.530864 0.694118
122 5CA 0.530864 0.73494
123 TSB 0.530864 0.731707
124 8X1 0.530864 0.689655
125 MAP 0.530864 0.8
126 DAL AMP 0.530864 0.808219
127 OOB 0.52439 0.808219
128 9ZA 0.52439 0.766234
129 8QN 0.52439 0.808219
130 5SV 0.52439 0.75641
131 9ZD 0.52439 0.766234
132 GEK 0.52439 0.805556
133 OAD 0.52381 0.821918
134 9X8 0.52381 0.8
135 25L 0.523256 0.833333
136 PPS 0.518987 0.7375
137 DSZ 0.518072 0.714286
138 AMO 0.518072 0.810811
139 A1R 0.518072 0.813333
140 A3R 0.518072 0.813333
141 0UM 0.518072 0.808219
142 4AD 0.518072 0.8
143 PAJ 0.518072 0.792208
144 NSS 0.518072 0.714286
145 A A 0.517647 0.819444
146 6CR 0.515152 0.910448
147 SP1 0.514286 0.77027
148 RP1 0.514286 0.77027
149 2VA 0.513158 0.938462
150 DLL 0.511905 0.808219
151 AHX 0.511905 0.802632
152 00A 0.511905 0.766234
153 62X 0.511905 0.74359
154 NVA LMS 0.511905 0.670455
155 3OD 0.511628 0.821918
156 PTJ 0.511628 0.75641
157 ME8 0.511628 0.728395
158 7D3 0.506849 0.783784
159 V3L 0.506329 0.819444
160 A6D 0.505882 0.763158
161 LEU LMS 0.505882 0.670455
162 K15 0.505882 0.763158
163 3UK 0.505882 0.797297
164 GSU 0.5 0.694118
165 B5V 0.5 0.786667
166 P5A 0.5 0.681818
167 KAA 0.5 0.689655
168 NVA 2AD 0.5 0.884058
169 PR8 0.5 0.759494
170 CMP 0.5 0.826087
171 LAD 0.5 0.769231
172 ATR 0.5 0.816901
173 5F1 0.5 0.80597
174 2BA 0.5 0.814286
175 WAQ 0.5 0.766234
176 AD3 0.5 1
177 ATP A A A 0.494382 0.830986
178 9K8 0.494253 0.670455
179 JB6 0.494253 0.766234
180 1ZZ 0.494253 0.728395
181 FYA 0.494253 0.808219
182 SXZ 0.494253 0.773333
183 TXA 0.494253 0.810811
184 BIS 0.494253 0.789474
185 NB8 0.494253 0.779221
186 SO8 0.493671 0.924242
187 VRT 0.493671 0.897059
188 IVH 0.493333 0.835616
189 KB1 0.488636 0.783784
190 MYR AMP 0.488636 0.728395
191 2A5 0.487179 0.797297
192 NOC 0.484375 0.903226
193 4UV 0.483516 0.776316
194 9SN 0.483146 0.75641
195 A2R 0.481928 0.833333
196 7D4 0.480519 0.783784
197 FA5 0.477778 0.786667
198 YAP 0.477778 0.776316
199 B5Y 0.477778 0.776316
200 B5M 0.477778 0.776316
201 8PZ 0.477778 0.714286
202 D3Y 0.47619 0.924242
203 AR6 AR6 0.473118 0.819444
204 AFH 0.473118 0.792208
205 YSA 0.472527 0.694118
206 XAH 0.472527 0.75
207 EKK 0.469697 0.923077
208 TBN 0.46875 0.983607
209 3BH 0.46875 0.953125
210 AMP DBH 0.467391 0.821918
211 TYR AMP 0.467391 0.776316
212 101 0.465753 0.780822
213 LAQ 0.463158 0.728395
214 TO1 0.462687 0.952381
215 G3A 0.462366 0.779221
216 7C5 0.462366 0.819444
217 UPA 0.459184 0.813333
218 LPA AMP 0.458333 0.728395
219 G5P 0.457447 0.779221
220 7MD 0.457447 0.772152
221 ARG AMP 0.457447 0.740741
222 4UU 0.457447 0.776316
223 GA7 0.457447 0.835616
224 A A A 0.454545 0.808219
225 EKH 0.454545 0.923077
226 5ID 0.454545 0.923077
227 TAD 0.452632 0.769231
228 4YB 0.452632 0.678161
229 GTA 0.452632 0.75
230 KH3 0.452632 0.776316
231 DQV 0.452632 0.833333
232 3NZ 0.449438 0.884058
233 WSA 0.44898 0.702381
234 OMR 0.44898 0.740741
235 TYM 0.44898 0.786667
236 AHZ 0.447917 0.728395
237 FTU 0.447761 0.923077
238 139 0.445545 0.782051
239 YLP 0.443299 0.731707
240 48N 0.443299 0.779221
241 AFX 0.441176 0.768116
242 ARJ 0.441176 0.857143
243 AV2 0.440476 0.77027
244 DA 0.44 0.756757
245 D5M 0.44 0.756757
246 5J9 0.43956 0.773333
247 UP5 0.438776 0.8
248 NAI 0.438776 0.789474
249 NXX 0.438776 0.810811
250 NAX 0.438776 0.759494
251 6V0 0.438776 0.779221
252 4UW 0.438776 0.746835
253 TXD 0.438776 0.789474
254 DND 0.438776 0.810811
255 NA7 0.438202 0.810811
256 PO4 PO4 A A A A PO4 0.438202 0.802817
257 MZR 0.4375 0.859375
258 V1N 0.43617 0.819444
259 HO4 0.434783 0.952381
260 TXE 0.434343 0.789474
261 649 0.434343 0.662921
262 AF3 ADP 3PG 0.434343 0.746835
263 IMO 0.434211 0.777778
264 3AT 0.433735 0.819444
265 G A A A 0.432692 0.779221
266 8Q2 0.43 0.689655
267 F0P 0.43 0.794521
268 AP0 0.43 0.779221
269 7MC 0.43 0.753086
270 YLC 0.43 0.75
271 YLB 0.43 0.731707
272 4TC 0.43 0.779221
273 SGV 0.428571 0.967742
274 BS5 0.427184 0.674157
275 A4P 0.425743 0.73494
276 IOT 0.421569 0.722892
277 DAT 0.419753 0.76
278 COD 0.419048 0.72619
279 T5A 0.417476 0.731707
280 ADJ 0.417476 0.740741
281 YLA 0.417476 0.731707
282 AS 0.415584 0.717949
283 J1D 0.415094 0.625
284 0XU 0.414634 0.823529
285 CNA 0.413462 0.810811
286 AYB 0.413462 0.722892
287 103 0.413333 0.716216
288 A U 0.411765 0.8
289 80F 0.411215 0.731707
290 GMP 0.410959 0.882353
291 EO7 0.410256 0.702381
292 F2R 0.409524 0.753086
293 GGZ 0.409091 0.7125
294 U A 0.407407 0.766234
295 ITT 0.407407 0.791667
296 A G 0.40566 0.766234
297 BTX 0.40566 0.710843
298 4TA 0.40566 0.719512
299 NAD 0.40566 0.808219
300 AMP NAD 0.40566 0.808219
301 SFB 0.401961 0.709302
302 DZD 0.401869 0.769231
303 U A G G 0.401869 0.766234
304 BT5 0.401869 0.702381
305 DTP 0.4 0.76
Ligand no: 2; Ligand: GDP; Similar ligands found: 161
No: Ligand ECFP6 Tc MDL keys Tc
1 GDP 1 1
2 GTP 0.909091 1
3 GP3 0.881579 0.973684
4 GNH 0.858974 0.986667
5 9GM 0.839506 0.973684
6 GNP 0.839506 0.973684
7 G 0.828947 0.986486
8 5GP 0.828947 0.986486
9 G1R 0.82716 0.986667
10 GCP 0.82716 0.973684
11 GSP 0.817073 0.948718
12 GAV 0.797619 0.961039
13 GMV 0.792683 0.973684
14 G2P 0.77381 0.961039
15 G2R 0.770115 0.961039
16 GP2 0.756098 0.961039
17 GDC 0.747253 0.961039
18 GKE 0.747253 0.961039
19 GDD 0.747253 0.961039
20 GPG 0.741573 0.961039
21 G3D 0.732558 0.986486
22 ALF 5GP 0.729412 0.888889
23 Y9Z 0.728261 0.902439
24 G5P 0.723404 0.973684
25 GFB 0.72043 0.961039
26 GTG 0.72043 0.936709
27 GDR 0.72043 0.961039
28 G4P 0.715909 0.986486
29 G3A 0.712766 0.973684
30 6CK 0.712766 0.936709
31 GDP AF3 0.7 0.888889
32 ALF GDP 0.7 0.888889
33 GDP ALF 0.7 0.888889
34 YGP 0.698925 0.901235
35 GKD 0.697917 0.961039
36 JB2 0.697917 0.961039
37 GDX 0.690722 0.973684
38 GPD 0.690722 0.925
39 GMP 0.684211 0.88
40 0O2 0.666667 0.986486
41 JB3 0.656863 0.948718
42 NGD 0.650485 0.961039
43 DGI 0.636364 0.923077
44 GDP 7MG 0.636364 0.911392
45 U2G 0.634615 0.936709
46 GPX 0.634409 0.946667
47 G G 0.632653 0.948052
48 IDP 0.632184 0.972973
49 2MD 0.632075 0.891566
50 CAG 0.62963 0.880952
51 CG2 0.622642 0.936709
52 FEG 0.619048 0.879518
53 MGD 0.614679 0.891566
54 ZGP 0.613208 0.869048
55 GH3 0.612903 0.973333
56 3GP 0.611765 0.946667
57 MD1 0.607143 0.891566
58 PGD 0.59292 0.925
59 DGT 0.591398 0.923077
60 BGO 0.588785 0.924051
61 TPG 0.582609 0.840909
62 DBG 0.582609 0.948718
63 2GP 0.574713 0.96
64 FE9 0.570175 0.776596
65 GCP G 0.56 0.921053
66 A G 0.553571 0.935065
67 G A A A 0.553571 0.923077
68 MGP 0.553191 0.961039
69 U A G G 0.548673 0.935065
70 G4M 0.548387 0.880952
71 6G0 0.547368 0.961039
72 G1R G1R 0.542373 0.924051
73 P2G 0.527473 0.883117
74 PGD O 0.525 0.850575
75 ADP 0.522222 0.92
76 R5I 0.520833 0.946667
77 R7I 0.520833 0.946667
78 GGM 0.517544 0.901235
79 DGP 0.516484 0.910256
80 DG 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G U 0.513274 0.9
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 AKW 0.504425 0.890244
86 G C 0.504348 0.9
87 GPC 0.491525 0.879518
88 G7M 0.483871 0.948052
89 6AD 0.479592 0.841463
90 ATP 0.473684 0.92
91 HEJ 0.473684 0.92
92 G2Q 0.471154 0.961039
93 5FA 0.46875 0.92
94 AQP 0.46875 0.92
95 GTA 0.468468 0.936709
96 7DD 0.468085 0.906667
97 G G G RPC 0.466102 0.875
98 SGP 0.463158 0.82716
99 01G 0.462963 0.902439
100 HFD 0.459184 0.873418
101 B4P 0.457447 0.894737
102 AP5 0.457447 0.894737
103 A2D 0.456522 0.894737
104 6YZ 0.455446 0.896104
105 G G G C 0.455285 0.9125
106 5GP 5GP 0.454545 0.883117
107 ANP 0.454545 0.896104
108 ACQ 0.454545 0.896104
109 AT4 0.452632 0.884615
110 A G C C 0.451613 0.911392
111 APC G U 0.45082 0.886076
112 PRT 0.449541 0.959459
113 G U34 0.449153 0.888889
114 DG DG 0.448598 0.865854
115 ITT 0.447917 0.868421
116 BA3 0.446809 0.894737
117 C2E 0.444444 0.921053
118 PCG 0.444444 0.933333
119 35G 0.444444 0.933333
120 MGO 0.441176 0.864198
121 AN2 0.4375 0.907895
122 G C C C 0.4375 0.924051
123 M33 0.43299 0.883117
124 UCG 0.429688 0.911392
125 A G U 0.42963 0.888889
126 ACP 0.428571 0.896104
127 MGQ 0.424528 0.935897
128 AR6 0.424242 0.894737
129 7DT 0.424242 0.906667
130 APR 0.424242 0.894737
131 93A 0.42268 0.833333
132 A4P 0.420168 0.869048
133 G8D 0.42 0.875
134 AD9 0.42 0.896104
135 SAP 0.42 0.873418
136 AGS 0.42 0.873418
137 CA0 0.418367 0.896104
138 ATF 0.417476 0.884615
139 AGO 0.414634 0.888889
140 A G U U 0.414286 0.888889
141 NIA 0.413043 0.82716
142 MGV 0.412844 0.890244
143 TAT 0.411765 0.884615
144 T99 0.411765 0.884615
145 ADQ 0.411215 0.871795
146 A1R 0.411215 0.839506
147 RGT 0.410714 0.909091
148 CGP 0.409836 0.86747
149 C1Z 0.409091 0.986486
150 A 0.408602 0.893333
151 AMP 0.408602 0.893333
152 UP5 0.40678 0.873418
153 AMZ 0.406593 0.918919
154 C2R 0.406593 0.906667
155 JBT 0.405882 0.778947
156 A22 0.40566 0.907895
157 25L 0.405405 0.907895
158 ADX 0.40404 0.809524
159 8OD 0.401961 0.946667
160 50T 0.4 0.883117
161 4TC 0.4 0.851852
Ligand no: 3; Ligand: TTP; Similar ligands found: 79
No: Ligand ECFP6 Tc MDL keys Tc
1 TTP 1 1
2 TYD 0.884058 1
3 TMP 0.760563 0.985714
4 TLO 0.722892 0.945205
5 DAU 0.701149 0.932432
6 TDX 0.689655 0.945205
7 18T 0.689655 0.932432
8 TRH 0.689655 0.932432
9 3R2 0.689655 0.92
10 1JB 0.689655 0.932432
11 3YN 0.674157 0.932432
12 T3Q 0.674157 0.907895
13 DWN 0.674157 0.907895
14 T3F 0.674157 0.907895
15 0N2 0.666667 0.896104
16 T46 0.666667 0.932432
17 0FX 0.659341 0.907895
18 MMF 0.659341 0.907895
19 QDM 0.645161 0.896104
20 AKM 0.638298 0.886076
21 1YF 0.638298 0.92
22 JHZ 0.638298 0.884615
23 FNF 0.638298 0.92
24 4TG 0.631579 0.92
25 TBD 0.62963 0.958904
26 DUT 0.62963 0.957143
27 D3T 0.62963 0.971831
28 T5A 0.61165 0.841463
29 THM 0.605634 0.873239
30 LLT 0.605634 0.873239
31 ATY 0.6 0.945205
32 FUH 0.588235 0.907895
33 QUH 0.588235 0.907895
34 AZD 0.586207 0.907895
35 DT DT DT 0.571429 0.917808
36 UFP 0.56962 0.905405
37 0DN 0.567568 0.833333
38 DCP 0.55814 0.891892
39 5HU 0.54321 0.971831
40 BRU 0.54321 0.905405
41 DUD 0.542169 0.957143
42 DT DT DT DT DT 0.541667 0.945205
43 NYM 0.536585 0.958333
44 FDM 0.536585 0.918919
45 5IU 0.536585 0.905405
46 ABT 0.531915 0.884615
47 T3P 0.531646 0.943662
48 DT DT PST 0.530612 0.87013
49 THP 0.53012 0.971429
50 D4T 0.528736 0.928571
51 6U4 0.521277 0.848101
52 ATM 0.517241 0.894737
53 7SG 0.512605 0.864198
54 TQP 0.512605 0.864198
55 TXS 0.512195 0.789474
56 TPE 0.510204 0.894737
57 T5K 0.508333 0.853659
58 T4K 0.508333 0.853659
59 BVP 0.5 0.944444
60 T3S 0.5 0.789474
61 8DG 0.489583 0.829268
62 YYY 0.477273 0.891892
63 2DT 0.47561 0.957747
64 4TA 0.469565 0.807229
65 DT ME6 DT 0.468468 0.87013
66 D4D 0.449438 0.928571
67 AZZ 0.447059 0.779221
68 DU 0.447059 0.942857
69 UMP 0.447059 0.942857
70 DUP 0.430108 0.930556
71 ADS THS THS THS 0.429752 0.758621
72 UTP 0.428571 0.875
73 8DD 0.424242 0.8125
74 WMJ 0.42 0.761905
75 DDN 0.418605 0.942857
76 8GD 0.418367 0.829268
77 DGT 0.415842 0.759036
78 UC5 0.406593 0.943662
79 ID2 0.402439 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3O0Q; Ligand: ADN; Similar sites found with APoc: 58
This union binding pocket(no: 1) in the query (biounit: 3o0q.bio1) has 61 residues
No: Leader PDB Ligand Sequence Similarity
1 4IP7 FLC 1.10497
2 3RGZ BLD 1.86335
3 1V6A TRE 2.10843
4 2PLK P3D 2.14797
5 3HQP OXL 2.20441
6 2G30 ALA ALA PHE 2.32558
7 3I7S PYR 2.39726
8 4UCF GLA 2.48447
9 4X1B MLI 2.63975
10 5IKI A9H 2.68293
11 1NXJ GLV 2.73224
12 4KCT PYR 3.40681
13 2WME NAP 3.46939
14 4CP8 MLI 3.49076
15 4G9N NGA 3.4965
16 4GYS MLI 3.54267
17 3MMH SME 3.59281
18 3PDB OAA 3.74065
19 5WS9 OXL 3.78947
20 5OCQ CIT 3.85965
21 5L2R MLA 4.13907
22 4NYT PC 4.14747
23 5C1P ADP 4.24837
24 2F7A BEZ 4.31034
25 1IZC PYR 4.42478
26 1OPB RET 4.47761
27 6DAM PQQ 4.53809
28 4JX1 CAM 4.57831
29 5ETJ IM5 4.62963
30 2G50 PYR 4.71698
31 3LN9 FLC 5.03597
32 1I0B PEL 5.42169
33 2A8Y MTA 5.55556
34 1UYY BGC BGC 6.10687
35 1MAI I3P 6.10687
36 5AOA PPI 6.29371
37 1K4M CIT 6.57277
38 3IWJ NAD 6.95825
39 3W9K MYR 7.19424
40 3FDZ DG2 7.393
41 5F1V 3VN 7.40741
42 1UPF URF 7.58929
43 4YLZ LAT NAG GAL 7.84314
44 4TYO 39X 8.13008
45 4GNC ASO 8.3612
46 1MFI FHC 8.77193
47 3T0W DIW 8.94309
48 1Y7P RIP 8.96861
49 1QAW TRP 9.45946
50 2ZX2 RAM 9.74359
51 3ZZL TRP 10
52 3ZZS TRP 10.7692
53 3ZZQ TRP 10.7692
54 1JE1 GMP 11.0169
55 2JC9 ADN 11.1712
56 3IWD M2T 16.1765
57 2V2G BEZ 18.8841
58 5LY3 ADP 31.25
Pocket No.: 2; Query (leader) PDB : 3O0Q; Ligand: ADN; Similar sites found with APoc: 29
This union binding pocket(no: 2) in the query (biounit: 3o0q.bio1) has 57 residues
No: Leader PDB Ligand Sequence Similarity
1 4CVC PQQ 1.22378
2 1ELU PDA 1.79487
3 3UG4 AHR 1.98413
4 3N2O AG2 2.17391
5 1W73 NAP 2.31788
6 1VMK GUN 2.52708
7 2XWL CTP 2.69058
8 3WXL ADP 3.10559
9 5W75 SUC 3.31633
10 4DFU QUE 3.41615
11 5KO1 6UY 3.53357
12 1RYD GLC 4.13437
13 5BU2 ADP 4.18502
14 4JX1 CAH 4.57831
15 1VBJ CIT 4.98221
16 1XTT U5P 5.55556
17 2IRY DGT 5.61056
18 2VQ5 HBA 7.46269
19 2YVE MBT 7.56757
20 1C3M MAN MAN 8.16327
21 4JGP PYR 8.29493
22 4QAR ADE 8.45771
23 4CT7 TRP 9.25926
24 3UCJ AZM 9.69163
25 2NW9 FT6 9.80392
26 5CIC 51R 10.1852
27 5GZZ GSH 10.5505
28 2XYA 7L4 10.989
29 4WUJ FMN 14.2857
Pocket No.: 3; Query (leader) PDB : 3O0Q; Ligand: TTP; Similar sites found with APoc: 61
This union binding pocket(no: 3) in the query (biounit: 3o0q.bio1) has 60 residues
No: Leader PDB Ligand Sequence Similarity
1 4IP7 FLC 1.10497
2 3RGZ BLD 1.86335
3 1V6A TRE 2.10843
4 2PLK P3D 2.14797
5 3N2O AG2 2.17391
6 3HQP OXL 2.20441
7 2G30 ALA ALA PHE 2.32558
8 3I7S PYR 2.39726
9 4UCF GLA 2.48447
10 4X1B MLI 2.63975
11 1XX4 BAM 2.68199
12 5IKI A9H 2.68293
13 1NXJ GLV 2.73224
14 4KCT PYR 3.40681
15 2WME NAP 3.46939
16 4CP8 MLI 3.49076
17 4G9N NGA 3.4965
18 4GYS MLI 3.54267
19 3MMH SME 3.59281
20 3PDB OAA 3.74065
21 5WS9 OXL 3.78947
22 5OCQ CIT 3.85965
23 5L2R MLA 4.13907
24 4NYT PC 4.14747
25 5C1P ADP 4.24837
26 2F7A BEZ 4.31034
27 1IZC PYR 4.42478
28 1OPB RET 4.47761
29 4JX1 CAM 4.57831
30 5ETJ IM5 4.62963
31 2G50 PYR 4.71698
32 3LN9 FLC 5.03597
33 4XCP PLM 5.29412
34 1I0B PEL 5.42169
35 2A8Y MTA 5.55556
36 1UYY BGC BGC 6.10687
37 1MAI I3P 6.10687
38 5AOA PPI 6.29371
39 1K4M CIT 6.57277
40 3IWJ NAD 6.95825
41 3W9K MYR 7.19424
42 3FDZ DG2 7.393
43 5F1V 3VN 7.40741
44 1UPF URF 7.58929
45 4YLZ LAT NAG GAL 7.84314
46 4TYO 39X 8.13008
47 4GNC ASO 8.3612
48 1MFI FHC 8.77193
49 2HXW FLC 8.86076
50 3T0W DIW 8.94309
51 1Y7P RIP 8.96861
52 1QAW TRP 9.45946
53 2ZX2 RAM 9.74359
54 3ZZL TRP 10
55 3ZZS TRP 10.7692
56 3ZZQ TRP 10.7692
57 1JE1 GMP 11.0169
58 2JC9 ADN 11.1712
59 3IWD M2T 16.1765
60 2V2G BEZ 18.8841
61 5LY3 ADP 31.25
Pocket No.: 4; Query (leader) PDB : 3O0Q; Ligand: TTP; Similar sites found with APoc: 26
This union binding pocket(no: 4) in the query (biounit: 3o0q.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 5H4S RAM 1.40845
2 3G5N PB2 1.68067
3 3TFC PEP 1.81818
4 6F5W KG1 2.16802
5 1QH5 GBP 2.30769
6 1OFZ FUL 2.5641
7 1OFZ FUC 2.5641
8 5C9P FUC 3.14961
9 4TVD BGC 3.41615
10 1QO0 BMD 4.15584
11 5BU2 ADP 4.18502
12 2WET TRP 4.30528
13 1L5J TRA 4.34783
14 1YBH P22 4.34783
15 5UN9 NHT 5.15873
16 5TZO 7V7 5.85106
17 4CNK MEU 6.39386
18 5LOL GSH 7.44186
19 3WCS MAN NAG GAL 7.48031
20 1C3M MAN MAN 8.16327
21 4CT7 TRP 9.25926
22 5GZZ GSH 10.5505
23 1KJ1 MAN 11.0092
24 2IYF UDP 11.3253
25 6FTB M0E 11.9048
26 5EZ1 ICB 13.3574
Pocket No.: 5; Query (leader) PDB : 3O0Q; Ligand: GDP; Similar sites found with APoc: 58
This union binding pocket(no: 5) in the query (biounit: 3o0q.bio1) has 61 residues
No: Leader PDB Ligand Sequence Similarity
1 4IP7 FLC 1.10497
2 3RGZ BLD 1.86335
3 1V6A TRE 2.10843
4 2PLK P3D 2.14797
5 3HQP OXL 2.20441
6 2G30 ALA ALA PHE 2.32558
7 3I7S PYR 2.39726
8 4UCF GLA 2.48447
9 4X1B MLI 2.63975
10 5IKI A9H 2.68293
11 1NXJ GLV 2.73224
12 4KCT PYR 3.40681
13 2WME NAP 3.46939
14 4CP8 MLI 3.49076
15 4G9N NGA 3.4965
16 4GYS MLI 3.54267
17 3MMH SME 3.59281
18 3PDB OAA 3.74065
19 5WS9 OXL 3.78947
20 5OCQ CIT 3.85965
21 5L2R MLA 4.13907
22 4NYT PC 4.14747
23 5C1P ADP 4.24837
24 2F7A BEZ 4.31034
25 1IZC PYR 4.42478
26 1OPB RET 4.47761
27 6DAM PQQ 4.53809
28 4JX1 CAM 4.57831
29 5ETJ IM5 4.62963
30 2G50 PYR 4.71698
31 3LN9 FLC 5.03597
32 1I0B PEL 5.42169
33 2A8Y MTA 5.55556
34 1UYY BGC BGC 6.10687
35 1MAI I3P 6.10687
36 5AOA PPI 6.29371
37 1K4M CIT 6.57277
38 3IWJ NAD 6.95825
39 3W9K MYR 7.19424
40 3FDZ DG2 7.393
41 5F1V 3VN 7.40741
42 1UPF URF 7.58929
43 4YLZ LAT NAG GAL 7.84314
44 4TYO 39X 8.13008
45 4GNC ASO 8.3612
46 1MFI FHC 8.77193
47 3T0W DIW 8.94309
48 1Y7P RIP 8.96861
49 1QAW TRP 9.45946
50 2ZX2 RAM 9.74359
51 3ZZL TRP 10
52 3ZZS TRP 10.7692
53 3ZZQ TRP 10.7692
54 1JE1 GMP 11.0169
55 2JC9 ADN 11.1712
56 3IWD M2T 16.1765
57 2V2G BEZ 18.8841
58 5LY3 ADP 31.25
Pocket No.: 6; Query (leader) PDB : 3O0Q; Ligand: GDP; Similar sites found with APoc: 29
This union binding pocket(no: 6) in the query (biounit: 3o0q.bio1) has 57 residues
No: Leader PDB Ligand Sequence Similarity
1 4CVC PQQ 1.22378
2 1ELU PDA 1.79487
3 3UG4 AHR 1.98413
4 3N2O AG2 2.17391
5 1W73 NAP 2.31788
6 1VMK GUN 2.52708
7 2XWL CTP 2.69058
8 3WXL ADP 3.10559
9 5W75 SUC 3.31633
10 4DFU QUE 3.41615
11 5KO1 6UY 3.53357
12 1RYD GLC 4.13437
13 5BU2 ADP 4.18502
14 4JX1 CAH 4.57831
15 1VBJ CIT 4.98221
16 1XTT U5P 5.55556
17 2IRY DGT 5.61056
18 2VQ5 HBA 7.46269
19 2YVE MBT 7.56757
20 1C3M MAN MAN 8.16327
21 4JGP PYR 8.29493
22 4QAR ADE 8.45771
23 4CT7 TRP 9.25926
24 3UCJ AZM 9.69163
25 2NW9 FT6 9.80392
26 5CIC 51R 10.1852
27 5GZZ GSH 10.5505
28 2XYA 7L4 10.989
29 4WUJ FMN 14.2857
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