-->
Receptor
PDB id Resolution Class Description Source Keywords
3F8W 2.3 Å EC: 2.4.2.1 CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI PURINE NUCLEOSIDE PHOSPHORYLASE IN COMPLEX WITH ADENOSINE SCHISTOSOMA MANSONI PURINE NUCLEOSIDE PHOSPHORYLASE SCHISTOSOMA ADENOSINE GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: ADENOSINE BINDING TO LOW-MOLECULAR-WEIGHT PURINE NU PHOSPHORYLASE: THE STRUCTURAL BASIS FOR RECOGNITION ITS COMPLEX WITH THE ENZYME FROM SCHISTOSOMA MANSON ACTA CRYSTALLOGR.,SECT.D V. 66 73 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADN A:300;
B:301;
C:302;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
267.241 C10 H13 N5 O4 c1nc(...
DMS A:306;
B:305;
C:307;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
SO4 A:303;
B:304;
C:304;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DJF 2.3 Å EC: 2.4.2.1 CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI PURINE NUCLEOSIDE PHOSPHORYLASE IN A COMPLEX WITH BCX-34 SCHISTOSOMA MANSONI PURINE NUCLEOSIDE PHOSPHORYLASE BCX34 INHIBITOR GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL BASIS FOR SELECTIVE INHIBITION OF PURINE NUCLEOSIDE PHOSPHORYLASE FROM SCHISTOSOMA MANSONI: AND STRUCTURAL STUDIES. BIOORG.MED.CHEM. V. 18 1421 2010
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 3FB1 - R1P C5 H11 O8 P C([C@@H]1[....
2 3E9R - ADE C5 H5 N5 c1[nH]c2c(....
3 3E0Q - JFD C4 H4 Br N3 O2 C1(=C(NC(=....
4 3FNQ - HPA C5 H4 N4 O c1[nH]c2c(....
5 3FAZ - NOS C10 H12 N4 O5 c1nc2c(n1[....
6 3IEX - GMP C10 H13 N5 O5 c1nc2c(n1[....
7 3DJF ic50 = 0.8 uM BC3 C12 H11 N5 O c1cc(cnc1)....
8 3F8W - ADN C10 H13 N5 O4 c1nc(c2c(n....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 5TBT - CTN C9 H13 N3 O5 C1=CN(C(=O....
2 5TBU - HPA C5 H4 N4 O c1[nH]c2c(....
3 5TBS - ADE C5 H5 N5 c1[nH]c2c(....
4 3FB1 - R1P C5 H11 O8 P C([C@@H]1[....
5 3E9R - ADE C5 H5 N5 c1[nH]c2c(....
6 3E0Q - JFD C4 H4 Br N3 O2 C1(=C(NC(=....
7 3FNQ - HPA C5 H4 N4 O c1[nH]c2c(....
8 3FAZ - NOS C10 H12 N4 O5 c1nc2c(n1[....
9 3IEX - GMP C10 H13 N5 O5 c1nc2c(n1[....
10 3DJF ic50 = 0.8 uM BC3 C12 H11 N5 O c1cc(cnc1)....
11 3F8W - ADN C10 H13 N5 O4 c1nc(c2c(n....
50% Homology Family (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2ON6 Ki = 172 nM IMH C11 H14 N4 O4 c1c(c2c([n....
2 2A0Y Ki = 900 pM DIH C12 H17 N4 O3 c1c(c2c([n....
3 1RR6 - IMH C11 H14 N4 O4 c1c(c2c([n....
4 2A0X Ki = 950 pM DIH C12 H17 N4 O3 c1c(c2c([n....
5 3GB9 - A2F C5 H4 F N5 c1[nH]c2c(....
6 1RT9 - IMH C11 H14 N4 O4 c1c(c2c([n....
7 5UGF - IM5 C12 H17 N5 O3 c1c(c2c([n....
8 3BGS Ki = 380 pM DIH C12 H17 N4 O3 c1c(c2c([n....
9 1RSZ - DIH C12 H17 N4 O3 c1c(c2c([n....
10 2A0W Ki = 270 pM DIH C12 H17 N4 O3 c1c(c2c([n....
11 1B8O Ki = 23 pM IMH C11 H14 N4 O4 c1c(c2c([n....
12 1A9T - R1P C5 H11 O8 P C([C@@H]1[....
13 1VFN Ki = 2.5 uM HPA C5 H4 N4 O c1[nH]c2c(....
14 2QPL ic50 = 18.9 uM BTY C6 H7 N5 O Cc1cc2n(n1....
15 2AI1 ic50 = 300 nM P1G C12 H16 N5 O8 P c1nc2c(n1[....
16 1B8N Ki = 30 pM IMG C11 H15 N5 O4 c1c(c2c([n....
17 1A9S - NOS C10 H12 N4 O5 c1nc2c(n1[....
18 2AI3 ic50 = 5000 nM P2G C11 H14 N5 O8 P c1nc2c(n1[....
19 1LVU Kd = 4.8 uM 9PP C9 H13 N6 O4 P C[C@@H](Cn....
20 1A9P - 9DI C11 H13 N3 O5 c1c(c2c([n....
21 2AI2 ic50 = 30 nM P1D C13 H16 N3 O8 P c1c(c2c([n....
22 1V48 Ki = 16 nM HA1 C10 H14 F2 N5 O4 P c1nc2c(n1C....
23 1A9Q - HPA C5 H4 N4 O c1[nH]c2c(....
24 3FUC Kd = 190 pM 9D9 9DG n/a n/a
25 1A9R - HPA C5 H4 N4 O c1[nH]c2c(....
26 1LV8 Kd = 3.5 uM 9PP C9 H13 N6 O4 P C[C@@H](Cn....
27 1FXU - GU7 C10 H16 N6 O3 c1nc2c(n1C....
28 5IFK - HPA C5 H4 N4 O c1[nH]c2c(....
29 5TBT - CTN C9 H13 N3 O5 C1=CN(C(=O....
30 5TBU - HPA C5 H4 N4 O c1[nH]c2c(....
31 5TBS - ADE C5 H5 N5 c1[nH]c2c(....
32 4EAR - IM5 C12 H17 N5 O3 c1c(c2c([n....
33 5ETJ Kd = 66 pM IM5 C12 H17 N5 O3 c1c(c2c([n....
34 4EB8 - IM5 C12 H17 N5 O3 c1c(c2c([n....
35 2P4S Kd = 0.42 nM DIH C12 H17 N4 O3 c1c(c2c([n....
36 3FB1 - R1P C5 H11 O8 P C([C@@H]1[....
37 3E9R - ADE C5 H5 N5 c1[nH]c2c(....
38 3E0Q - JFD C4 H4 Br N3 O2 C1(=C(NC(=....
39 3FNQ - HPA C5 H4 N4 O c1[nH]c2c(....
40 3FAZ - NOS C10 H12 N4 O5 c1nc2c(n1[....
41 3IEX - GMP C10 H13 N5 O5 c1nc2c(n1[....
42 3DJF ic50 = 0.8 uM BC3 C12 H11 N5 O c1cc(cnc1)....
43 3F8W - ADN C10 H13 N5 O4 c1nc(c2c(n....
44 1VMK - GUN C5 H5 N5 O c1[nH]c2c(....
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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DJF; Ligand: BC3; Similar sites found with APoc: 115
This union binding pocket(no: 1) in the query (biounit: 3djf.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC None
2 2WPB ZZI 1.74216
3 3AI0 PNW 1.74216
4 3HPY MCT 1.74216
5 2CUN 3PG 2.09059
6 6E1Q CFA 2.09059
7 1Q8A HCS 2.09059
8 5F7U GLC GLC 2.09059
9 4IMG NGF 2.09059
10 4V15 PLP 2.09059
11 2WME NAP 2.09059
12 2RDE C2E 2.39044
13 4BWL MN9 2.43902
14 2Y7I ARG 2.62009
15 2EB5 OXL 2.62172
16 6ACS CIT 2.71318
17 5HC0 NPO 2.78746
18 1GPM AMP 2.78746
19 5JJU AMP 2.78746
20 2Q3M MLA 2.78746
21 1MAI I3P 3.05344
22 4NRT 2NG 3.13589
23 5U5G 7VD 3.13589
24 2C5S AMP 3.13589
25 5VZ0 ADP 3.13589
26 1VKF CIT 3.19149
27 3A76 SPD 3.40909
28 3BJE URA 3.48432
29 5ULJ 0WD 3.48432
30 5ZXD ATP 3.48432
31 4DCM SAM 3.48432
32 4FK7 P34 3.49345
33 1PVC ILE SER GLU VAL 3.69004
34 3ZF8 GDP 3.83275
35 5L2R MLA 3.83275
36 6CB2 OLC 3.83275
37 5NCB JZ3 3.83275
38 4WA2 SIA GAL NAG 3.83275
39 3P0F BAU 4.18118
40 5W75 SUC 4.18118
41 4R84 CSF 4.37376
42 5CSS G3P 4.42478
43 1RJW ETF 4.52962
44 4KRI SAH 4.52962
45 4YMJ 4EJ 4.52962
46 4JE7 BB2 4.56853
47 2CBZ ATP 4.64135
48 3A16 PXO 4.87805
49 5ZA2 NXL 4.87805
50 5KZD RCJ 4.87805
51 1Y42 TYR 4.87805
52 1LOB MMA 4.97238
53 5JIB OIA 5.22648
54 1XX6 ADP 5.2356
55 1OUW MLT 5.26316
56 2JE7 XMM 5.43933
57 3FGZ BEF 5.46875
58 1MVQ MMA 5.50847
59 2G50 PYR 5.57491
60 3KYF 5GP 5GP 5.62771
61 4DE3 DN8 5.70342
62 4RDN 6MD 5.98802
63 4JX1 CAH 6.19469
64 2OEM 1AE 6.27178
65 3QH2 3NM 6.33484
66 4BAE RWX 6.34146
67 2GNB MAN 6.34921
68 4BMX ADE 6.3745
69 4QAR ADE 6.46766
70 4WKB TDI 6.55738
71 3RZ3 U94 6.55738
72 4ZH7 FUC GAL NAG GAL FUC 6.62021
73 4NTX AMR 6.66667
74 4FFS BIG 6.69456
75 1MFI FHC 7.01754
76 4ISS TAR 7.31707
77 5H4S RAM 7.39437
78 2PZE ATP 7.42358
79 3G5K BB2 7.65027
80 2CHT TSA 7.87402
81 2H7C SIA 8.01394
82 4BC5 5FX 8.01394
83 1IDA 0PO 8.08081
84 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 8.36237
85 3KVY URA 8.36237
86 1RL4 BRR 8.51064
87 2FKA BEF 8.52713
88 1QO0 BMD 9.18367
89 1U4J MAN 9.32203
90 3LGS ADE 9.3633
91 3LGS SAH 9.3633
92 2FMD MAN MAN 9.58333
93 1JE1 GMP 9.74576
94 3EUF BAU 10.1045
95 3B9Q MLI 10.1045
96 2OG2 MLI 10.1045
97 5AMH EF2 10.4
98 1JG3 VAL TYR PRO IAS HIS ALA 11.0638
99 2CJU PHX 11.5044
100 1U1F 183 11.7188
101 4TXJ THM 11.8467
102 5BOE PEP 12.5436
103 4YJK URA 12.6984
104 1ZOS MTM 13.0435
105 6AYR BIG 17.2269
106 3QPB URA 18.0851
107 4WKC BIG 19.5918
108 3BL6 FMC 20
109 2ALG DAO 21.7391
110 2ALG HP6 21.7391
111 1ODJ GMP 31.9149
112 5F7J ADE 33.4375
113 4GLJ RHB 33.7979
114 1K27 MTM 36.7491
115 2A8Y MTA 44.0741
Pocket No.: 2; Query (leader) PDB : 3DJF; Ligand: BC3; Similar sites found with APoc: 32
This union binding pocket(no: 2) in the query (biounit: 3djf.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 6C5F 7L9 None
2 5YSI NCA 1.97368
3 5AIP 4HP 2.05479
4 3BOF HCS 2.09059
5 1F74 NAY 2.09059
6 4TVD BGC 2.43902
7 1TZJ A3B 2.43902
8 1KYZ SAH 2.43902
9 1SDW IYT 2.78746
10 1GPM CIT 2.78746
11 5TVF PUT 4.21053
12 5LPB ADP 4.52962
13 6I6X TLA 4.87805
14 5ZDN CDP 5.21327
15 4DDY DN6 5.70342
16 4FHT DHB 5.73248
17 2Q1A 2KT 5.92335
18 2CYB TYR 5.92335
19 4IP7 FLC 6.27178
20 5DNK SAH 6.27178
21 2ZZV LAC 6.27178
22 2GN3 MAN 6.34921
23 1R1Q ACE ARG GLU PTR VAL ASN VAL 7
24 1TUV VK3 7.01754
25 4IV9 TSR 9.7561
26 2XCM ADP 10.8108
27 1T36 ORN 13.2404
28 5KOH HCA 14.2857
29 3GNP SOG 15.331
30 1ZEI CRS 18.8679
31 5A7C 5D4 30.0885
32 5CLO NS8 30.5085
Pocket No.: 3; Query (leader) PDB : 3DJF; Ligand: BC3; Similar sites found with APoc: 11
This union binding pocket(no: 3) in the query (biounit: 3djf.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC NBU None
2 5I60 67W 2.43902
3 1U1I NAD 2.78746
4 4XWT U5P 3.13589
5 1R6D NAD 3.13589
6 3VC1 GST 3.13589
7 3KB6 LAC 3.83275
8 4DPL NAP 4.18118
9 5HSA FAS 8.01394
10 6EL3 NAP 9.05923
11 3ESS 18N 13.5889
APoc FAQ
Feedback