Receptor
PDB id Resolution Class Description Source Keywords
2BEF 2.3 Å EC: 2.7.4.6 CRYSTAL STRUCTURE OF NDP KINASE COMPLEXED WITH MG, ADP, AND DICTYOSTELIUM DISCOIDEUM PHOSPHOTRANSFERASE NUCLEOSIDE DIPHOSPHATE KINASE PHOSPHORYTRANSFER BERYLLIUM FLUORIDE
Ref.: ALF3 MIMICS THE TRANSITION STATE OF PROTEIN PHOSPHO IN THE CRYSTAL STRUCTURE OF NUCLEOSIDE DIPHOSPHATE AND MGADP. PROC.NATL.ACAD.SCI.USA V. 94 3579 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEF ADP A:157;
B:157;
C:157;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
491.193 n/a P(=O)...
MG A:156;
B:156;
C:156;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1F3F 1.85 Å EC: 2.7.4.6 STRUCTURE OF THE H122G NUCLEOSIDE DIPHOSPHATE KINASE / D4T- TRIPHOSPHATE.MG COMPLEX DICTYOSTELIUM DISCOIDEUM NUCLEOSIDE DIPHOSPHATE KINASE ANTI-HIV NUCLEOSIDE ANALOGUEPHOSPHORYLATION CH...O BOND TRANSFERASE
Ref.: STRUCTURAL BASIS FOR ACTIVATION OF ALPHA-BORANOPHOS NUCLEOTIDE ANALOGUES TARGETING DRUG-RESISTANT REVER TRANSCRIPTASE. EMBO J. V. 19 3520 2000
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1F6T - TBD C10 H19 B N2 O10 P2 [BH3-][P@@....
2 1NDP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3FKB - TNM C9 H15 N5 O7 P2 C[C@H](Cn1....
4 1KDN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1LWX - AZD C10 H15 N5 O10 P2 CC1=CN(C(=....
6 1NDC - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
7 2BEF - BEF ADP n/a n/a
8 1F3F Kd = 21.3 uM D4T C10 H15 N2 O13 P3 CC1=CN(C(=....
9 4CP5 Kd = 452 uM EOI C9 H16 N5 O9 P3 S C[C@H](Cn1....
10 1B4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1S5Z - SON C12 H16 N5 O8 P c1nc(c2c(n....
12 1MN7 - ABT C10 H17 B N5 O12 P3 B=P(O)(OC[....
70% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1F6T - TBD C10 H19 B N2 O10 P2 [BH3-][P@@....
2 1NDP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3FKB - TNM C9 H15 N5 O7 P2 C[C@H](Cn1....
4 1KDN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1LWX - AZD C10 H15 N5 O10 P2 CC1=CN(C(=....
6 1NDC - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
7 2BEF - BEF ADP n/a n/a
8 1F3F Kd = 21.3 uM D4T C10 H15 N2 O13 P3 CC1=CN(C(=....
9 4CP5 Kd = 452 uM EOI C9 H16 N5 O9 P3 S C[C@H](Cn1....
10 1B4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1S5Z - SON C12 H16 N5 O8 P c1nc(c2c(n....
12 1MN7 - ABT C10 H17 B N5 O12 P3 B=P(O)(OC[....
13 3NGU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 1WKL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 1ZS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 6XPV - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
17 6XPW - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
18 6XPU - IDP C10 H14 N4 O11 P2 c1nc2c(n1[....
19 6XPT - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
20 6XP7 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 6XPS - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
22 4UOG - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
23 4UOH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 1BE4 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
25 3BBB - DG C10 H14 N5 O7 P c1nc2c(n1[....
26 1NUE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
27 1BHN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
28 2HVD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1UCN Kd = 6 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
30 3BBF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
31 2HVE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1F6T - TBD C10 H19 B N2 O10 P2 [BH3-][P@@....
2 1NDP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3FKB - TNM C9 H15 N5 O7 P2 C[C@H](Cn1....
4 1KDN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1LWX - AZD C10 H15 N5 O10 P2 CC1=CN(C(=....
6 1NDC - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
7 2BEF - BEF ADP n/a n/a
8 1F3F Kd = 21.3 uM D4T C10 H15 N2 O13 P3 CC1=CN(C(=....
9 4CP5 Kd = 452 uM EOI C9 H16 N5 O9 P3 S C[C@H](Cn1....
10 1B4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1S5Z - SON C12 H16 N5 O8 P c1nc(c2c(n....
12 1MN7 - ABT C10 H17 B N5 O12 P3 B=P(O)(OC[....
13 3EVO - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
14 3ELH - DUD C9 H14 N2 O11 P2 C1[C@@H]([....
15 3GP9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 3EJM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
17 3FBB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
18 3EMT - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
19 3FCV - DUD C9 H14 N2 O11 P2 C1[C@@H]([....
20 3EIC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
21 3EVM - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
22 3B6B - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
23 3FCW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
24 2B8Q - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
25 3DKD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
26 3DDI - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
27 3FBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
28 3ETM - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
29 3GPA - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
30 3ENA - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
31 3EM1 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
32 3EE3 - CDP MG n/a n/a
33 3NGU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
34 3Q86 - GTP MG n/a n/a
35 3Q8U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 3Q8V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
37 1WKL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
38 1ZS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
39 6XPV - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
40 6XPW - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
41 6XPU - IDP C10 H14 N4 O11 P2 c1nc2c(n1[....
42 6XPT - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
43 6XP7 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 6XPS - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
45 4UOG - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
46 4UOH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
47 2AZ3 - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
48 1NHK - CMP C10 H12 N5 O6 P c1nc(c2c(n....
49 1NLK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50 1BE4 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
51 3BBB - DG C10 H14 N5 O7 P c1nc2c(n1[....
52 1NUE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
53 1BHN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
54 2HVD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
55 1UCN Kd = 6 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
56 3BBF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
57 2HVE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BEF ADP; Similar ligands found: 368
No: Ligand ECFP6 Tc MDL keys Tc
1 BEF ADP 1 1
2 ADP PO3 0.831169 0.971429
3 ATP MG 0.831169 0.971429
4 ADP BEF 0.826667 0.971429
5 ADP MG 0.826667 0.971429
6 VO4 ADP 0.790123 0.945205
7 ALF ADP 0.790123 0.92
8 ANP MG 0.746988 0.931507
9 AMP MG 0.746667 0.957143
10 ADP BMA 0.727273 0.918919
11 A 0.710526 0.916667
12 AMP 0.710526 0.916667
13 A2D 0.705128 0.917808
14 GAP 0.702381 0.918919
15 ADP 0.7 0.917808
16 ATP A 0.688172 0.957747
17 ATP A A A 0.688172 0.957747
18 BA3 0.6875 0.917808
19 ABM 0.683544 0.891892
20 45A 0.683544 0.891892
21 AP5 0.679012 0.917808
22 B4P 0.679012 0.917808
23 APC MG 0.678571 0.944444
24 AN2 0.670732 0.905405
25 AT4 0.670732 0.881579
26 A12 0.666667 0.881579
27 AP2 0.666667 0.881579
28 DAL AMP 0.662921 0.931507
29 M33 0.662651 0.905405
30 AR6 AR6 0.659794 0.944444
31 SRA 0.658228 0.868421
32 HEJ 0.654762 0.917808
33 ACP 0.654762 0.893333
34 ATP 0.654762 0.917808
35 APC 0.647059 0.881579
36 APR 0.647059 0.917808
37 AR6 0.647059 0.917808
38 5FA 0.647059 0.917808
39 AQP 0.647059 0.917808
40 AHZ 0.646465 0.839506
41 AU1 0.642857 0.893333
42 ADX 0.642857 0.82716
43 CA0 0.642857 0.893333
44 AGS 0.639535 0.87013
45 AD9 0.639535 0.918919
46 KG4 0.635294 0.893333
47 50T 0.635294 0.905405
48 PRX 0.627907 0.868421
49 ALF ADP 3PG 0.627451 0.884615
50 AF3 ADP 3PG 0.627451 0.884615
51 T99 0.625 0.881579
52 ACQ 0.625 0.893333
53 ANP 0.625 0.893333
54 TAT 0.625 0.881579
55 NAD TDB 0.621359 0.944444
56 NAD IBO 0.621359 0.944444
57 ADV 0.62069 0.881579
58 RBY 0.62069 0.881579
59 MYR AMP 0.614583 0.839506
60 ATF 0.611111 0.881579
61 LMS 0.604938 0.804878
62 6YZ 0.604396 0.893333
63 4TA 0.601852 0.829268
64 8LE 0.6 0.87013
65 V2G 0.6 0.848101
66 5AL 0.6 0.905405
67 HQG 0.597826 0.905405
68 SON 0.593023 0.881579
69 A22 0.591398 0.905405
70 MAP 0.591398 0.92
71 AMP DBH 0.59 0.893333
72 AMP NAD 0.587156 0.931507
73 SRP 0.586957 0.881579
74 8LH 0.586957 0.881579
75 PO4 PO4 A A A A PO4 0.583333 0.929577
76 9X8 0.583333 0.87013
77 ADQ 0.578947 0.893333
78 A1R 0.578947 0.858974
79 A3R 0.578947 0.858974
80 ARG AMP 0.578431 0.829268
81 8LQ 0.574468 0.881579
82 QA7 0.574468 0.87013
83 XYA 0.573333 0.819444
84 RAB 0.573333 0.819444
85 ADN 0.573333 0.819444
86 JNT 0.572917 0.893333
87 NAJ PZO 0.571429 0.871795
88 AOC 0.571429 0.821918
89 OZV 0.568421 0.917808
90 8QN 0.568421 0.905405
91 25A 0.568421 0.917808
92 5SV 0.568421 0.825
93 OOB 0.568421 0.905405
94 9ZA 0.568421 0.858974
95 9ZD 0.568421 0.858974
96 OAD 0.56701 0.893333
97 GDP BEF 0.56383 0.907895
98 5AS 0.563218 0.758621
99 4AD 0.5625 0.894737
100 AMO 0.5625 0.881579
101 PAJ 0.5625 0.8375
102 LPA AMP 0.561905 0.839506
103 NAD 0.558559 0.931507
104 5N5 0.558442 0.794521
105 DLL 0.556701 0.905405
106 00A 0.556701 0.858974
107 AHX 0.556701 0.848101
108 BIS 0.555556 0.858974
109 3OD 0.555556 0.893333
110 Z5A 0.555556 0.8
111 G3A 0.553398 0.848101
112 NAJ PYZ 0.551724 0.829268
113 5CD 0.551282 0.805556
114 A4D 0.551282 0.794521
115 3UK 0.55102 0.893333
116 25L 0.55 0.905405
117 A3D 0.548673 0.918919
118 G5P 0.548077 0.848101
119 AFH 0.548077 0.8375
120 PR8 0.545455 0.82716
121 B5V 0.545455 0.881579
122 WAQ 0.545455 0.858974
123 LAD 0.545455 0.8375
124 9SN 0.544554 0.848101
125 H1Q 0.544444 0.930556
126 PTJ 0.54 0.848101
127 1ZZ 0.54 0.817073
128 ME8 0.54 0.817073
129 TXA 0.54 0.881579
130 NB8 0.54 0.848101
131 FYA 0.54 0.88
132 JB6 0.54 0.858974
133 KMQ 0.539216 0.881579
134 FA5 0.539216 0.881579
135 EP4 0.530864 0.753247
136 NAE 0.529915 0.894737
137 GTA 0.528302 0.839506
138 DQV 0.528302 0.905405
139 6V0 0.527778 0.848101
140 G5A 0.526882 0.758621
141 A5A 0.526316 0.785714
142 NAQ 0.525424 0.871795
143 M2T 0.52439 0.75641
144 DTA 0.52439 0.786667
145 B5M 0.524272 0.87013
146 B5Y 0.524272 0.87013
147 3DH 0.52381 0.773333
148 TXE 0.522936 0.858974
149 ZID 0.521008 0.918919
150 XAH 0.519231 0.817073
151 MTA 0.518072 0.773333
152 139 0.517857 0.82716
153 A3P 0.516854 0.916667
154 PAP 0.516129 0.90411
155 4UV 0.514286 0.87013
156 NAI 0.513761 0.858974
157 UP5 0.513761 0.87013
158 7D5 0.511905 0.828947
159 TSB 0.510204 0.776471
160 6RE 0.505747 0.759494
161 7D3 0.505618 0.831169
162 2A5 0.505376 0.844156
163 SSA 0.505155 0.758621
164 LEU LMS 0.504951 0.75
165 7MD 0.504673 0.817073
166 4UU 0.504673 0.87013
167 GA7 0.504673 0.857143
168 48N 0.504587 0.848101
169 UPA 0.504505 0.858974
170 AP0 0.504505 0.848101
171 4TC 0.504505 0.848101
172 ATR 0.5 0.890411
173 TAD 0.5 0.8375
174 3AM 0.5 0.876712
175 52H 0.5 0.758621
176 54H 0.5 0.767442
177 A4P 0.5 0.77907
178 DND 0.5 0.906667
179 NAX 0.5 0.82716
180 VMS 0.5 0.767442
181 A2P 0.5 0.902778
182 TXD 0.5 0.858974
183 NDE 0.496 0.906667
184 OMR 0.495495 0.807229
185 TYM 0.495495 0.881579
186 LAQ 0.495413 0.817073
187 8X1 0.494949 0.733333
188 5CA 0.494949 0.758621
189 53H 0.494949 0.758621
190 A3N 0.494382 0.763158
191 J7C 0.494382 0.746835
192 ZAS 0.494253 0.789474
193 N01 0.491525 0.931507
194 NMN AMP PO4 0.491379 0.894737
195 T5A 0.491228 0.797619
196 L3W 0.491071 0.881579
197 YLP 0.490909 0.797619
198 S4M 0.488889 0.686047
199 NDC 0.488189 0.871795
200 4UW 0.486486 0.8375
201 P5A 0.485437 0.725275
202 ENQ 0.485437 0.916667
203 NSS 0.485149 0.77907
204 LSS 0.485149 0.741573
205 DSZ 0.485149 0.758621
206 NAD BBN 0.484848 0.841463
207 7D4 0.483871 0.831169
208 MAO 0.483516 0.738095
209 DSH 0.483146 0.725
210 F2R 0.482759 0.797619
211 9K8 0.480769 0.714286
212 NVA LMS 0.480392 0.752809
213 GTP MG 0.48 0.881579
214 5X8 0.478723 0.763158
215 ADJ 0.478261 0.807229
216 YLC 0.477876 0.817073
217 7MC 0.477876 0.797619
218 YLB 0.477876 0.797619
219 IMO 0.477778 0.876712
220 NAD CJ3 0.477612 0.811765
221 GDP AF3 0.475728 0.839506
222 NWW 0.47561 0.736111
223 V3L 0.474227 0.917808
224 CNA 0.474138 0.906667
225 6MZ 0.472527 0.878378
226 GJV 0.472527 0.75
227 2AM 0.471264 0.864865
228 GSU 0.471154 0.758621
229 KAA 0.471154 0.733333
230 M24 0.471074 0.82716
231 A2R 0.47 0.905405
232 IOT 0.469565 0.788235
233 PPS 0.469388 0.804878
234 5AD 0.468354 0.746479
235 ITT 0.468085 0.864865
236 PAX 0.467742 0.807229
237 8PZ 0.46729 0.758621
238 COD 0.466102 0.770115
239 YLA 0.465517 0.797619
240 AV2 0.464646 0.866667
241 O02 0.463918 0.848101
242 CNV FAD 0.463768 0.772727
243 SFG 0.463158 0.75
244 B1U 0.462963 0.736264
245 YSA 0.462963 0.758621
246 GDP ALF 0.461538 0.839506
247 AYB 0.461538 0.788235
248 FAD NBT 0.460432 0.731183
249 SAM 0.459184 0.710843
250 80F 0.458333 0.797619
251 FAD CNX 0.457746 0.708333
252 A7D 0.457447 0.776316
253 OVE 0.455556 0.831169
254 P33 FDA 0.454545 0.747253
255 7C5 0.454545 0.794872
256 P6G FDA 0.454545 0.772727
257 6AD 0.454545 0.8375
258 BTX 0.453782 0.797619
259 SA8 0.453608 0.707317
260 MHZ 0.452632 0.678161
261 71V 0.451613 0.835443
262 COA FLC 0.451613 0.790698
263 A3G 0.450549 0.776316
264 DZD 0.45 0.8375
265 BT5 0.45 0.788235
266 SAI 0.44898 0.75641
267 6C6 0.44898 0.833333
268 SAH 0.44898 0.74359
269 JSQ 0.44898 0.87013
270 HFD 0.44898 0.87013
271 CUU 0.447917 0.891892
272 NAD NDT 0.447552 0.726316
273 Y3J 0.445783 0.726027
274 SMM 0.445545 0.705882
275 6IA 0.444444 0.792683
276 7D7 0.444444 0.743243
277 K2K 0.443396 0.716049
278 NDP DTT 0.442748 0.819277
279 A3S 0.442105 0.786667
280 DAL FAD PER 0.441379 0.747253
281 NO7 0.441176 0.857143
282 K3K 0.440367 0.779221
283 EEM 0.44 0.731707
284 AAT 0.44 0.707317
285 A5D 0.438776 0.786667
286 K2H 0.438095 0.734177
287 NAJ 0.436975 0.931507
288 38V 0.436508 0.817073
289 NAP 0.436508 0.918919
290 YLY 0.435484 0.788235
291 FAD T2C 0.435374 0.731183
292 M7G A2M G 0.435374 0.764045
293 NEC 0.434783 0.723684
294 NA7 0.433962 0.881579
295 4YB 0.433628 0.741573
296 TAP 0.433071 0.883117
297 DAT 0.43299 0.831169
298 QXP 0.432692 0.724138
299 GEK 0.432692 0.759494
300 K3E 0.432432 0.769231
301 D4F 0.432 0.817073
302 APC G U 0.432 0.835443
303 V47 0.431373 0.783784
304 ALF 5GP 0.431373 0.839506
305 S7M 0.431373 0.710843
306 WSA 0.431034 0.767442
307 3AT 0.43 0.891892
308 J4G 0.429907 0.87013
309 NHD 0.429752 0.905405
310 EAD 0.429688 0.82716
311 NA0 0.429688 0.906667
312 P1H 0.427481 0.807229
313 AMZ 0.426966 0.84
314 KOY 0.426087 0.802632
315 N0B 0.425197 0.797619
316 GDP 7MG 0.424779 0.860759
317 ARU 0.424528 0.792683
318 62X 0.424528 0.666667
319 FAD NBA 0.423841 0.708333
320 PGS 0.42268 0.835443
321 NWQ 0.422222 0.716216
322 2SA 0.421569 0.857143
323 QXG 0.420561 0.715909
324 A6D 0.420561 0.743902
325 D5M 0.419355 0.828947
326 N5O 0.419355 0.74026
327 DA 0.419355 0.828947
328 AVV 0.419048 0.848101
329 649 0.418803 0.725275
330 A3T 0.418367 0.797297
331 NIA 0.417582 0.8
332 R2V 0.416667 0.724138
333 DTP 0.415842 0.831169
334 8Q2 0.415254 0.733333
335 0UM 0.415094 0.698795
336 AAM 0.414894 0.916667
337 BUA COA 0.414815 0.772727
338 G1R G1R 0.414062 0.85
339 6FA 0.411765 0.797619
340 NFD 0.41129 0.883117
341 N6P 0.411215 0.863014
342 C2R 0.411111 0.828947
343 LQJ 0.410714 0.891892
344 EO7 0.410526 0.767442
345 N5A 0.410526 0.714286
346 FB0 0.410448 0.744444
347 6NA COA 0.410072 0.755556
348 GGZ 0.409524 0.780488
349 KY2 0.409524 0.710843
350 TM1 0.409091 0.752941
351 PLP AAD 0.408 0.752809
352 K15 0.407407 0.682353
353 3AD 0.406977 0.805556
354 0WD 0.406504 0.848101
355 FAS 0.405797 0.807229
356 SFD 0.405797 0.697917
357 FAD 0.405797 0.807229
358 S8M 0.40566 0.7375
359 6K6 0.40566 0.878378
360 K38 0.405405 0.75641
361 FDA 0.404412 0.770115
362 AIR 0.402299 0.849315
363 NX8 0.401961 0.695122
364 KYB 0.401869 0.710843
365 PUA 0.401575 0.814815
366 SXZ 0.4 0.710843
367 KL2 0.4 0.813333
368 O05 0.4 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: BEF ADP; Similar ligands found: 22
No: Ligand Similarity coefficient
1 GNP 0.9788
2 GTP 0.9768
3 GSP 0.9761
4 GCP 0.9638
5 ADP ALF 0.9573
6 ALF GDP 0.9572
7 BEF GDP 0.9532
8 9GM 0.9511
9 DBG 0.9492
10 GDP 0.9383
11 UTP 0.9318
12 CTP 0.9306
13 CDP 0.9235
14 ADP AF3 0.9233
15 GDP MG 0.9160
16 UDP 0.9122
17 IDP 0.9003
18 GNH 0.8932
19 Y9Z 0.8902
20 D4T 0.8901
21 DGI 0.8735
22 DGT 0.8591
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1F3F; Ligand: D4T; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1f3f.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1F3F; Ligand: D4T; 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: 1f3f.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1F3F; Ligand: D4T; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1f3f.bio1) has 56 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1F3F; Ligand: D4T; 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: 1f3f.bio1) has 56 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1F3F; Ligand: D4T; 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: 1f3f.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1F3F; Ligand: D4T; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1f3f.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1F3F; Ligand: D4D; 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: 1f3f.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1F3F; Ligand: D4D; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1f3f.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback