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
492.201 n/a [P+](...
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 10 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 (25)
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 4UOG - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
17 4UOH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 1BE4 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
19 3BBB - DG C10 H14 N5 O7 P c1nc2c(n1[....
20 1NUE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
21 1BHN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
22 2HVD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
23 1UCN Kd = 6 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 3BBF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
25 2HVE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (51)
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 4UOG - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
40 4UOH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
41 2AZ3 - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
42 1NHK - CMP C10 H12 N5 O6 P c1nc(c2c(n....
43 1NLK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 1BE4 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
45 3BBB - DG C10 H14 N5 O7 P c1nc2c(n1[....
46 1NUE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
47 1BHN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
48 2HVD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
49 1UCN Kd = 6 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50 3BBF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
51 2HVE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BEF ADP; Similar ligands found: 338
No: Ligand ECFP6 Tc MDL keys Tc
1 BEF ADP 1 1
2 ADP BEF 1 1
3 ADP MG 0.956522 0.972603
4 ADP PO3 0.864865 0.931507
5 ATP MG 0.853333 0.972603
6 ALF ADP 0.775 0.934211
7 ADP ALF 0.775 0.934211
8 AMP MG 0.767123 0.958904
9 ADP VO4 0.765432 0.92
10 VO4 ADP 0.765432 0.92
11 ANP MG 0.765432 0.934211
12 A 0.739726 0.88
13 AMP 0.739726 0.88
14 A2D 0.733333 0.881579
15 ATP A A A 0.730337 0.918919
16 GAP 0.728395 0.883117
17 ADP 0.727273 0.881579
18 AR6 AR6 0.717391 0.906667
19 BA3 0.714286 0.881579
20 ADP BMA 0.712644 0.883117
21 ABM 0.710526 0.857143
22 B4P 0.705128 0.881579
23 AP5 0.705128 0.881579
24 AN2 0.696203 0.87013
25 AP2 0.692308 0.848101
26 A12 0.692308 0.848101
27 M33 0.6875 0.87013
28 DAL AMP 0.686047 0.894737
29 SRA 0.684211 0.835443
30 ACP 0.679012 0.858974
31 ATP 0.679012 0.881579
32 APC 0.670732 0.848101
33 AR6 0.670732 0.881579
34 AQP 0.670732 0.881579
35 5FA 0.670732 0.881579
36 APR 0.670732 0.881579
37 ADX 0.666667 0.797619
38 CA0 0.666667 0.858974
39 A A 0.666667 0.881579
40 ACQ 0.666667 0.858974
41 AU1 0.666667 0.858974
42 AD9 0.662651 0.883117
43 AGS 0.662651 0.8375
44 SAP 0.662651 0.8375
45 50T 0.658537 0.87013
46 MYR AMP 0.652174 0.809524
47 PRX 0.650602 0.835443
48 ANP 0.647059 0.858974
49 TAT 0.647059 0.848101
50 RBY 0.642857 0.848101
51 ADV 0.642857 0.848101
52 AHZ 0.632653 0.809524
53 ATF 0.632184 0.896104
54 5AL 0.62069 0.87013
55 TYR AMP 0.614583 0.871795
56 SON 0.614458 0.848101
57 LA8 ALF 3PG 0.613861 0.898734
58 AF3 ADP 3PG 0.613861 0.898734
59 ALF ADP 3PG 0.613861 0.898734
60 MAP 0.611111 0.884615
61 A22 0.611111 0.87013
62 AMP DBH 0.608247 0.858974
63 SRP 0.606742 0.848101
64 PO4 PO4 A A A A PO4 0.602151 0.891892
65 A1R 0.597826 0.82716
66 ADQ 0.597826 0.858974
67 ADN 0.597222 0.786667
68 RAB 0.597222 0.786667
69 XYA 0.597222 0.786667
70 LPA AMP 0.594059 0.809524
71 AOC 0.592593 0.789474
72 AMP NAD 0.589286 0.896104
73 8QN 0.586957 0.87013
74 OOB 0.586957 0.87013
75 5SV 0.586957 0.795181
76 25A 0.586957 0.881579
77 OAD 0.585106 0.858974
78 ARG AMP 0.584158 0.8
79 5AS 0.583333 0.733333
80 5N5 0.581081 0.763158
81 4AD 0.580645 0.860759
82 PAJ 0.580645 0.807229
83 AMO 0.580645 0.848101
84 NAD IBO 0.579439 0.884615
85 WAQ 0.578947 0.82716
86 00A 0.574468 0.85
87 DLL 0.574468 0.87013
88 AHX 0.574468 0.817073
89 NAD 0.574074 0.894737
90 4TA 0.574074 0.8
91 A4D 0.573333 0.763158
92 5CD 0.573333 0.797297
93 BIS 0.572917 0.873418
94 3OD 0.572917 0.858974
95 1ZZ 0.572917 0.788235
96 7D5 0.56962 0.797468
97 3UK 0.568421 0.858974
98 25L 0.56701 0.87013
99 AFH 0.564356 0.851852
100 A3D 0.563636 0.883117
101 PR8 0.5625 0.797619
102 LAD 0.5625 0.807229
103 9SN 0.561224 0.8625
104 G A A A 0.559633 0.839506
105 7D3 0.559524 0.8
106 NAJ PZO 0.558559 0.839506
107 FYA 0.556701 0.846154
108 JB6 0.556701 0.82716
109 TXA 0.556701 0.848101
110 NB8 0.556701 0.817073
111 ME8 0.556701 0.788235
112 PTJ 0.556701 0.817073
113 3AM 0.555556 0.842105
114 A3P 0.552941 0.88
115 EP4 0.551282 0.725
116 PAP 0.550562 0.868421
117 G5A 0.544444 0.733333
118 DTA 0.544304 0.75641
119 M2T 0.544304 0.728395
120 NAE 0.54386 0.860759
121 3DH 0.54321 0.74359
122 FA5 0.54 0.848101
123 YAP 0.54 0.8375
124 2A5 0.539326 0.8125
125 G3A 0.539216 0.817073
126 NAJ PYZ 0.53913 0.864198
127 NAQ 0.53913 0.839506
128 GDP BEF 0.537634 0.911392
129 MTA 0.5375 0.74359
130 XAH 0.534653 0.788235
131 ZID 0.534483 0.883117
132 7D4 0.534091 0.8
133 7MD 0.533981 0.788235
134 G5P 0.533981 0.817073
135 Z5A 0.529915 0.772727
136 4UV 0.529412 0.8375
137 GTA 0.528846 0.809524
138 NAX 0.528302 0.797619
139 A5A 0.526882 0.758621
140 U A G G 0.526786 0.85
141 TSB 0.526316 0.75
142 6RE 0.52381 0.731707
143 LAQ 0.52381 0.788235
144 SSA 0.521277 0.733333
145 A A A 0.520408 0.894737
146 4UU 0.519231 0.8375
147 YLP 0.518868 0.770115
148 48N 0.518868 0.817073
149 4TC 0.518519 0.817073
150 7MC 0.518519 0.770115
151 A2P 0.517241 0.866667
152 ATR 0.516484 0.855263
153 52H 0.515789 0.733333
154 VMS 0.515789 0.741573
155 54H 0.515789 0.741573
156 TAD 0.514286 0.807229
157 TXD 0.514019 0.82716
158 NXX 0.514019 0.871795
159 UP5 0.514019 0.8375
160 DND 0.514019 0.871795
161 NAI 0.514019 0.82716
162 6V0 0.514019 0.817073
163 A U 0.513761 0.860759
164 ZAS 0.511905 0.759494
165 A3N 0.511628 0.734177
166 J7C 0.511628 0.719512
167 GDP MG 0.510638 0.886076
168 5CA 0.510417 0.733333
169 53H 0.510417 0.733333
170 OMR 0.509259 0.77907
171 TXE 0.509259 0.82716
172 NDE 0.508197 0.871795
173 S4M 0.505747 0.662921
174 BEF GDP 0.505155 0.9
175 YLB 0.504587 0.770115
176 AP0 0.504587 0.817073
177 139 0.504505 0.797619
178 LSS 0.5 0.717391
179 4UW 0.5 0.807229
180 PPS 0.5 0.776471
181 MAO 0.5 0.712644
182 NSS 0.5 0.752809
183 P5A 0.5 0.702128
184 DSH 0.5 0.698795
185 NDC 0.5 0.839506
186 A4P 0.5 0.752809
187 DSZ 0.5 0.733333
188 TYM 0.495413 0.848101
189 NVA LMS 0.494949 0.736264
190 5X8 0.494505 0.734177
191 IMO 0.494253 0.842105
192 T5A 0.491071 0.770115
193 ADJ 0.491071 0.77907
194 YLC 0.490909 0.788235
195 UPA 0.490909 0.82716
196 LEU LMS 0.49 0.736264
197 V3L 0.489362 0.881579
198 GJV 0.488636 0.722892
199 2AM 0.488095 0.831169
200 5AD 0.486842 0.716216
201 CNA 0.486726 0.871795
202 GSU 0.485149 0.733333
203 KAA 0.485149 0.709677
204 ENQ 0.485149 0.88
205 A2R 0.484536 0.87013
206 SA8 0.483871 0.682353
207 ITT 0.483516 0.831169
208 IOT 0.482143 0.761364
209 7D7 0.480519 0.714286
210 AV2 0.479167 0.833333
211 N01 0.478632 0.894737
212 BTX 0.478261 0.770115
213 SFG 0.478261 0.721519
214 NMN AMP PO4 0.478261 0.860759
215 COD 0.478261 0.744444
216 YLA 0.477876 0.770115
217 YSA 0.47619 0.733333
218 BT5 0.474138 0.761364
219 AYB 0.473684 0.761364
220 SAM 0.473684 0.686047
221 NAD BBN 0.473282 0.811765
222 A7D 0.472527 0.746835
223 OVE 0.471264 0.8
224 6AD 0.46875 0.807229
225 MHZ 0.467391 0.655556
226 71V 0.466667 0.804878
227 NAD CJ3 0.466165 0.784091
228 A3G 0.465909 0.746835
229 SAH 0.463158 0.716049
230 SAI 0.463158 0.728395
231 6C6 0.463158 0.802469
232 Y3J 0.4625 0.743243
233 DZD 0.461538 0.807229
234 GTP MG 0.46 0.886076
235 SMM 0.459184 0.681818
236 M24 0.458333 0.841463
237 PAX 0.455285 0.77907
238 U A C C 0.453782 0.85
239 7C5 0.453704 0.765432
240 EEM 0.453608 0.705882
241 DAL FAD PER 0.453237 0.802326
242 A5D 0.452632 0.75641
243 CNV FAD 0.452555 0.747253
244 ARU 0.45098 0.785714
245 U G A 0.450382 0.809524
246 NEC 0.449438 0.696203
247 FAD NBT 0.449275 0.708333
248 P1H 0.448819 0.77907
249 NAP 0.447154 0.883117
250 DAT 0.446809 0.8
251 NA7 0.446602 0.848101
252 YLY 0.446281 0.761364
253 GEK 0.445545 0.731707
254 4YB 0.445455 0.717391
255 S7M 0.444444 0.686047
256 P33 FDA 0.443662 0.723404
257 TAP 0.443548 0.85
258 6IA 0.443299 0.764706
259 3AT 0.443299 0.857143
260 WSA 0.442478 0.741573
261 AMZ 0.44186 0.807692
262 A3S 0.44086 0.75641
263 NHD 0.440678 0.87013
264 EAD 0.44 0.797619
265 U A A U 0.44 0.85
266 NA0 0.44 0.871795
267 AAT 0.438776 0.682353
268 MNT BEF 0.438596 0.839506
269 NAD TDB 0.4375 0.657143
270 NAD NDT 0.43662 0.704082
271 FAD CNX 0.43662 0.686869
272 PGS 0.43617 0.804878
273 N0B 0.435484 0.770115
274 2SA 0.434343 0.825
275 A U C C 0.434109 0.839506
276 P6G FDA 0.433566 0.747253
277 DA 0.433333 0.797468
278 D5M 0.433333 0.797468
279 A6D 0.432692 0.717647
280 GDP AF3 0.432692 0.853659
281 NIA 0.431818 0.771084
282 A3T 0.431579 0.766234
283 S8M 0.431373 0.710843
284 AVV 0.431373 0.8625
285 649 0.429825 0.702128
286 APC G U 0.429752 0.804878
287 AAM 0.428571 0.88
288 DTP 0.428571 0.8
289 0UM 0.427184 0.674419
290 C2R 0.425287 0.797468
291 NAJ 0.423729 0.894737
292 62X 0.423077 0.644444
293 3AD 0.421687 0.773333
294 GGZ 0.421569 0.752941
295 NFD 0.421488 0.897436
296 PLP AAD 0.421488 0.736264
297 A G U 0.421053 0.809524
298 6FA 0.421053 0.770115
299 FB0 0.419847 0.72043
300 2BA 0.419355 0.853333
301 CMP 0.419355 0.84
302 K15 0.419048 0.659091
303 GDP ALF 0.419048 0.853659
304 6K6 0.417476 0.844156
305 0WD 0.416667 0.817073
306 AIR 0.416667 0.815789
307 ALF 5GP 0.415842 0.853659
308 FAS 0.414815 0.77907
309 FAD 0.414815 0.77907
310 FDA 0.413534 0.744444
311 NZQ 0.411765 0.807229
312 SXZ 0.411215 0.686047
313 SP1 0.411111 0.7875
314 RP1 0.411111 0.7875
315 ACK 0.411111 0.802632
316 QQY 0.411111 0.7625
317 FAD NBA 0.410596 0.693878
318 7DD 0.410526 0.868421
319 APU 0.410256 0.814815
320 N6P 0.409524 0.828947
321 8BR 0.408602 0.848101
322 NJP 0.408333 0.860759
323 TM1 0.407407 0.727273
324 KB1 0.407407 0.714286
325 CC5 0.407407 0.783784
326 101 0.406593 0.797468
327 V1N 0.405405 0.857143
328 SFD 0.404412 0.676768
329 12D 0.403509 0.719101
330 NPW 0.403361 0.788235
331 DCA 0.403226 0.736264
332 62F 0.402878 0.788235
333 2VA 0.402062 0.746835
334 QQX 0.4 0.753086
335 RGT 0.4 0.848101
336 DDS 0.4 0.775
337 FAY 0.4 0.788235
338 PUA 0.4 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1F3F; Ligand: D4T; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1F3F; Ligand: D4T; Similar sites found: 70
This union binding pocket(no: 2) in the query (biounit: 1f3f.bio1) has 56 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F8L GAL 0.02029 0.46715 None
2 4N7C AEF 0.02904 0.43116 None
3 3KMT SAH 0.03163 0.40072 None
4 3S9K CIT 0.03479 0.4636 1.69492
5 1BTN I3P 0.0276 0.45687 1.88679
6 3R51 MMA 0.01194 0.46453 1.93548
7 1WRA PC 0.04051 0.42358 1.93548
8 3QDY A2G GAL 0.00114 0.51214 2.0979
9 3QDT A2G GAL 0.003136 0.48866 2.0979
10 3QDY CBS 0.04067 0.42349 2.0979
11 1PX8 XYP 0.01243 0.43936 2.58065
12 4PPU TYR 0.04885 0.40623 2.58065
13 1JN2 SFP 0.00171 0.55699 3.22581
14 2EB5 OXL 0.01082 0.44764 3.22581
15 3U1T MLI 0.01765 0.44244 3.22581
16 2Z9V PXM 0.01751 0.42745 3.22581
17 2VDJ HSE 0.04481 0.4265 3.22581
18 1Y2W NAG 0.02348 0.43072 3.52113
19 2Q8H TF4 0.01132 0.46583 3.87097
20 1XX4 BAM 0.0305 0.44172 3.87097
21 3JQ3 ADP 0.01753 0.41902 3.87097
22 2Q1A 2KT 0.04718 0.41535 3.87097
23 2F2U M77 0.0352 0.40544 3.87097
24 3O2K QRP 0.04593 0.40021 4.21941
25 3SJ0 DXC 0.04889 0.41927 4.22535
26 3TKA CTN 0.006872 0.50947 4.51613
27 3ZPG 5GP 0.02309 0.44851 4.51613
28 3LTW HLZ 0.03109 0.42456 4.51613
29 1V6A TRE 0.02001 0.42928 4.81928
30 1XE7 GUN 0.01119 0.46609 5.16129
31 1I0Z OXM 0.01948 0.45265 5.16129
32 2XDQ MGX 0.04085 0.43456 5.16129
33 1ZZ7 S0H 0.01916 0.4256 5.16129
34 1QO0 BMD 0.03091 0.42469 5.16129
35 2HFK E4H 0.04019 0.41029 5.16129
36 3QP4 HL0 0.02757 0.40007 5.16129
37 1ULE GLA GAL NAG 0.03459 0.43263 5.33333
38 2OFE NAG 0.0286 0.4264 5.6338
39 2ZWS PLM 0.01098 0.48335 5.80645
40 2ZJF BSU 0.006228 0.43905 5.80645
41 4B9E FAH 0.02643 0.4333 5.80645
42 2JBH 5GP 0.03473 0.40939 5.80645
43 3GJB AKG 0.00479 0.44888 6.45161
44 1EB9 HBA 0.02972 0.40521 6.45161
45 1HSJ GLC 0.01608 0.4733 7.09677
46 3P3N AKG 0.01842 0.43604 7.09677
47 3CQ5 PMP 0.0278 0.41386 7.09677
48 1V7R CIT 0.02028 0.45893 7.74194
49 4LHM AZZ 0.006822 0.452 7.74194
50 1YOA FMN 0.01154 0.48205 8.1761
51 1T0S BML 0.0393 0.42961 8.3871
52 1Z44 NPO 0.0332 0.45409 9.03226
53 4F4S EFO 0.04523 0.40784 9.21053
54 1EYE PMM 0.03714 0.40096 9.67742
55 1DXY COI 0.04355 0.43299 10.3226
56 1Y42 TYR 0.0476 0.40677 10.9677
57 1ECM TSA 0.04163 0.40573 11.0092
58 1SC3 MLI 0.02873 0.437 11.6129
59 1Y7P RIP 0.003043 0.4752 12.2581
60 2GWD GLU 0.004383 0.45064 12.9032
61 2JFV FLC 0.04425 0.41677 12.9032
62 2NVK NAP 0.01338 0.43297 13.5484
63 2Y7G AAE 0.02563 0.40138 14.1935
64 1GJW MAL 0.0113 0.42753 15.4839
65 3I0O SMI 0.0178 0.43176 17.4194
66 4M51 BEZ 0.002936 0.49019 18.7097
67 4COQ SAN 0.03342 0.42297 19.3548
68 2Q09 DI6 0.01731 0.42334 21.2903
69 4RJK PYR 0.02702 0.45957 24.5161
70 3MAG 3MA 0.0179 0.46209 28.3871
Pocket No.: 3; Query (leader) PDB : 1F3F; Ligand: D4T; Similar sites found: 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 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1F3F; Ligand: D4D; Similar sites found: 86
This union binding pocket(no: 4) in the query (biounit: 1f3f.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F8L GAL 0.01121 0.46738 None
2 1UO5 PIH 0.03961 0.43522 None
3 2Y7P SAL 0.005853 0.43381 None
4 4JCA CIT 0.03179 0.43314 None
5 4N7C AEF 0.01487 0.43116 None
6 3UEC ALA ARG TPO LYS 0.04463 0.40732 None
7 3S9K CIT 0.004524 0.50035 1.69492
8 1BTN I3P 0.0112 0.47103 1.88679
9 1WRA PC 0.01213 0.43555 1.93548
10 3R51 MMA 0.04138 0.42013 1.93548
11 3QDY CBS 0.02122 0.42349 2.0979
12 3BY8 MLT 0.03989 0.40978 2.11268
13 1PX8 XYP 0.005795 0.43936 2.58065
14 1JN2 SFP 0.02477 0.47031 3.22581
15 2EB5 OXL 0.005136 0.44764 3.22581
16 3U1T MLI 0.008804 0.44244 3.22581
17 2Z9V PXM 0.005122 0.4364 3.22581
18 5RHN 8BR 0.0104 0.40208 3.47826
19 1Y2W NAG 0.01161 0.43072 3.52113
20 1C1L GAL BGC 0.01118 0.43731 3.64964
21 2QLX RM4 0.02548 0.41952 3.7037
22 1Y1A GSH 0.01319 0.46665 3.87097
23 2Q8H TF4 0.005819 0.46583 3.87097
24 1XX4 BAM 0.01644 0.44172 3.87097
25 2F2U M77 0.01625 0.40544 3.87097
26 4EXO PYR 0.04694 0.41141 4.10959
27 3O2K QRP 0.01111 0.41242 4.21941
28 3SJ0 DXC 0.02578 0.41927 4.22535
29 3TKA CTN 0.001154 0.521 4.51613
30 3ZPG 5GP 0.01228 0.44851 4.51613
31 1V6A TRE 0.003827 0.44767 4.81928
32 1I0Z OXM 0.01028 0.45265 5.16129
33 1XE7 GUN 0.01423 0.44509 5.16129
34 2XDQ MGX 0.02236 0.43456 5.16129
35 1ZZ7 S0H 0.008927 0.4256 5.16129
36 3F81 STT 0.03398 0.42476 5.16129
37 1QO0 BMD 0.01551 0.42469 5.16129
38 4M5P MLA 0.04653 0.42379 5.16129
39 2HFK E4H 0.01027 0.42287 5.16129
40 4M5P 23W 0.02902 0.42229 5.16129
41 1A5Z OXM 0.04193 0.41397 5.16129
42 1Y9Q MED 0.02813 0.41225 5.16129
43 4C6F DOR 0.01765 0.40392 5.16129
44 4C6F NCD 0.01765 0.40392 5.16129
45 3QP4 HL0 0.01171 0.40007 5.16129
46 1ULE GLA GAL NAG 0.01831 0.43263 5.33333
47 2OFE NAG 0.01429 0.4264 5.6338
48 2ZJF BSU 0.002595 0.43905 5.80645
49 2ZWS PLM 0.03784 0.43639 5.80645
50 4B9E FAH 0.01347 0.4333 5.80645
51 3GM5 CIT 0.02658 0.41344 5.80645
52 2JBH 5GP 0.01638 0.40939 5.80645
53 3DGB MUC 0.0146 0.40351 5.80645
54 3P7I P7I 0.002563 0.44983 6.45161
55 1EB9 HBA 0.01327 0.40521 6.45161
56 1HSJ GLC 0.007577 0.4773 7.09677
57 3P3N AKG 0.008985 0.43604 7.09677
58 3BHO B4P 0.03188 0.43307 7.09677
59 3I51 45C 0.0126 0.40614 7.09677
60 4JWX 1N4 0.02564 0.405 7.09677
61 1V7R CIT 0.011 0.45893 7.74194
62 4LHM AZZ 0.003082 0.452 7.74194
63 1YOA FMN 0.00321 0.49899 8.1761
64 1T0S BML 0.02095 0.42961 8.3871
65 3D2Y AH0 ALA FGA LYS 0.004449 0.40894 8.3871
66 1Z44 NPO 0.01893 0.45409 9.03226
67 1O9U ADZ 0.01511 0.44369 9.03226
68 2C5S AMP 0.0122 0.41497 9.03226
69 2ZJ5 ADP 0.03582 0.40263 9.67742
70 1Y42 TYR 0.0246 0.40582 10.9677
71 1MOQ GLP 0.007005 0.40167 10.9677
72 1ECM TSA 0.01987 0.40573 11.0092
73 1SC3 MLI 0.01507 0.437 11.6129
74 1Y7P RIP 0.03623 0.41728 12.2581
75 1W3R PYR 0.04221 0.41382 12.2581
76 2GWD GLU 0.001837 0.45064 12.9032
77 2JFV FLC 0.02267 0.41677 12.9032
78 2NVK NAP 0.006111 0.43297 13.5484
79 1GJW MAL 0.004872 0.42753 15.4839
80 1H0C AOA 0.03405 0.41323 16.129
81 3I0O SMI 0.008461 0.43176 17.4194
82 4M51 BEZ 0.001381 0.49019 18.7097
83 4COQ SAN 0.01684 0.42297 19.3548
84 2Q09 DI6 0.00783 0.42334 21.2903
85 4RJK PYR 0.03137 0.42054 24.5161
86 3MAG 3MA 0.009656 0.46209 28.3871
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