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Receptor
PDB id Resolution Class Description Source Keywords
3U40 2.05 Å EC: 2.4.2.1 CRYSTAL STRUCTURE OF A PURINE NUCLEOSIDE PHOSPHORYLASE FROM HISTOLYTICA BOUND TO ADENOSINE ENTAMOEBA HISTOLYTICA STRUCTURAL GENOMICS SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE SSGCID PURINE SALVAGE MALTOSE BINDINGEXPRESSION RESCUE CO-CRYSTAL TRANSFERASE
Ref.: EXPRESSION OF PROTEINS IN ESCHERICHIA COLI AS FUSIO MALTOSE-BINDING PROTEIN TO RESCUE NON-EXPRESSED TAR HIGH-THROUGHPUT PROTEIN-EXPRESSION AND PURIFICATION PIPELINE. ACTA CRYSTALLOGR.,SECT.F V. 67 1006 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADN A:251;
B:251;
C:251;
D:251;
E:251;
F:251;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
267.241 C10 H13 N5 O4 c1nc(...
NO3 A:239;
B:239;
C:239;
D:240;
D:241;
E:239;
F:239;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
62.005 N O3 [N+](...
PO4 D:239;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3U40 2.05 Å EC: 2.4.2.1 CRYSTAL STRUCTURE OF A PURINE NUCLEOSIDE PHOSPHORYLASE FROM HISTOLYTICA BOUND TO ADENOSINE ENTAMOEBA HISTOLYTICA STRUCTURAL GENOMICS SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE SSGCID PURINE SALVAGE MALTOSE BINDINGEXPRESSION RESCUE CO-CRYSTAL TRANSFERASE
Ref.: EXPRESSION OF PROTEINS IN ESCHERICHIA COLI AS FUSIO MALTOSE-BINDING PROTEIN TO RESCUE NON-EXPRESSED TAR HIGH-THROUGHPUT PROTEIN-EXPRESSION AND PURIFICATION PIPELINE. ACTA CRYSTALLOGR.,SECT.F V. 67 1006 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 3U40 - ADN C10 H13 N5 O4 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3U40 - ADN C10 H13 N5 O4 c1nc(c2c(n....
50% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1Z35 - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
2 1Z34 ic50 = 0.42 mM 2FD C10 H12 F N5 O3 c1nc2c(nc(....
3 1Z38 - NOS C10 H12 N4 O5 c1nc2c(n1[....
4 1PR1 Ki = 5 uM FMB C10 H12 N4 O5 C1=Nc2c(n[....
5 1OUM - TAL C12 H16 N4 O4 Cc1c2c(ncn....
6 1PR2 - MDR C11 H14 N4 O3 Cc1c2c(ncn....
7 1PR5 Ki = 120 uM TBN C11 H14 N4 O4 c1cn(c2c1c....
8 1PKE - 2FD C10 H12 F N5 O3 c1nc2c(nc(....
9 1PR6 - XYA C10 H13 N5 O4 c1nc(c2c(n....
10 1PR0 - NOS C10 H12 N4 O5 c1nc2c(n1[....
11 1PK9 - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
12 1OV6 - DBM C12 H16 N4 O4 Cc1c2c(ncn....
13 1PR4 - MTP C11 H14 N4 O4 S CSc1c2c(nc....
14 1PK7 - ADN C10 H13 N5 O4 c1nc(c2c(n....
15 1OVG - MDR C11 H14 N4 O3 Cc1c2c(ncn....
16 1OU4 - 6MP C6 H6 N4 Cc1c2c(nc[....
17 1OTY - 6MP C6 H6 N4 Cc1c2c(nc[....
18 3UT6 - FMC C10 H13 N5 O4 c1nc2c(c(n....
19 1PW7 - RAB C10 H13 N5 O4 c1nc(c2c(n....
20 1K9S - FM2 C11 H16 N5 O4 C[n+]1cnc2....
21 1A69 Ki = 5 uM FMB C10 H12 N4 O5 C1=Nc2c(n[....
22 1VHW - ADN C10 H13 N5 O4 c1nc(c2c(n....
23 5MX4 - HPA C5 H4 N4 O c1[nH]c2c(....
24 5MX6 - HPA C5 H4 N4 O c1[nH]c2c(....
25 5MX8 - HPA C5 H4 N4 O c1[nH]c2c(....
26 6F4X Kd = 10.7 uM FMC C10 H13 N5 O4 c1nc2c(c(n....
27 6F4W Kd = 2.95 uM FMC C10 H13 N5 O4 c1nc2c(c(n....
28 1JDT - MTA C11 H15 N5 O3 S CSC[C@@H]1....
29 1JE1 - GMP C10 H13 N5 O5 c1nc2c(n1[....
30 1JDZ - FMB C10 H12 N4 O5 C1=Nc2c(n[....
31 2AC7 - ADN C10 H13 N5 O4 c1nc(c2c(n....
32 3UAZ - NOS C10 H12 N4 O5 c1nc2c(n1[....
33 3UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
34 3UAX - NOS C10 H12 N4 O5 c1nc2c(n1[....
35 3UAW - ADN C10 H13 N5 O4 c1nc(c2c(n....
36 1ODI Kd = 62 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
37 1ODJ Kd = 80 uM GMP C10 H13 N5 O5 c1nc2c(n1[....
38 4DAO - ADE C5 H5 N5 c1[nH]c2c(....
39 4DA6 - GA2 C9 H13 N5 O4 c1nc2c(n1C....
40 4DA7 - AC2 C8 H11 N5 O3 c1nc2c(n1C....
41 4DAE - 6CR C10 H12 Cl N5 O4 c1nc2c(n1[....
42 4D9H - ADN C10 H13 N5 O4 c1nc(c2c(n....
43 4D8V - ADE C5 H5 N5 c1[nH]c2c(....
44 4DAB - HPA C5 H4 N4 O c1[nH]c2c(....
45 3U40 - ADN C10 H13 N5 O4 c1nc(c2c(n....
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 : 3U40; Ligand: ADN; Similar sites found with APoc: 74
This union binding pocket(no: 1) in the query (biounit: 3u40.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5YSI NCA None
2 1VKF CIT None
3 6ACS CIT 0.826446
4 2G2Y MLI 2.06612
5 1IYE PGU 2.06612
6 2C5S AMP 2.06612
7 1RJW ETF 2.06612
8 1TLG GAL 2.4
9 5U3F 7TS 2.47934
10 3VZ3 NAP 2.47934
11 3VZ3 SSN 2.47934
12 5KJW 53C 2.89256
13 5Z0A NAG 2.89256
14 4PIO AVI 3.30579
15 4PIO SAH 3.30579
16 4CE5 PDG 3.71901
17 3ZLR X0B 3.79747
18 4QAR ADE 3.9801
19 3E8N VRA 4.10557
20 3E8N ATP 4.10557
21 1QPR PPC 4.13223
22 1YB5 NAP 4.13223
23 4OVZ P85 4.13223
24 4PXL NAD 4.54545
25 5IUW IAC 4.54545
26 5IUW NAD 4.54545
27 3A16 PXO 4.95868
28 3RHJ NAP 4.95868
29 5MRH Q9Z 4.95868
30 2BVE PH5 5.04202
31 1C3X 8IG 5.3719
32 1WG8 SAM 5.3719
33 1GPM AMP 5.78512
34 3VC1 GST 5.78512
35 3VC1 SAH 5.78512
36 3G6K FAD 5.84416
37 3G6K POP 5.84416
38 5HWV MBN 6.15385
39 5F7J ADE 6.19835
40 2A8Y MTA 6.19835
41 5DYO FLU 6.60377
42 2WDB NAG MAN 6.77083
43 2BJK NAD 7.02479
44 2ZMF CMP 7.40741
45 5NDF LU2 8.26446
46 5NDF UDP 8.26446
47 4I8P NAD 8.26446
48 5W75 SUC 9.50413
49 6B5G CQY 9.91736
50 4FK7 P34 10.4803
51 3IT6 ORN 12.1951
52 4GLJ RHB 12.8099
53 4B2Z P5S 14.876
54 1K27 MTM 15.2893
55 3BJE URA 17.3554
56 3BJE R1P 17.3554
57 3P0F BAU 17.3554
58 4TXJ THM 21.4876
59 3EUF BAU 25.2066
60 4BMX ADE 29.3388
61 4FFS BIG 29.7071
62 1ZOS MTM 30.8696
63 3LGS SAH 31.8182
64 3LGS ADE 31.8182
65 6AYR BIG 32.2314
66 3BL6 FMC 32.6087
67 4WKC BIG 33.8776
68 3KVY R2B 34.2975
69 3KVY URA 34.2975
70 1U1F 183 36.3636
71 4WKB TDI 36.3636
72 3QPB URA 41.7355
73 3QPB R1P 41.7355
74 4YJK URA 43.3884
Pocket No.: 2; Query (leader) PDB : 3U40; Ligand: ADN; Similar sites found with APoc: 14
This union binding pocket(no: 2) in the query (biounit: 3u40.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 6FP4 E1T 1.65289
2 3KDU NKS 2.89256
3 5OES ADP 2.89256
4 4UUG PXG 3.30579
5 5WS9 OXL 3.71901
6 5BJX UDP 4.95868
7 5BJX NAD 4.95868
8 1I2L DCS 5.3719
9 5WKC FAD 5.3719
10 1T9D FAD 5.3719
11 3GD8 GOL 5.38117
12 4TV1 36M 5.78512
13 3HQP OXL 6.19835
14 5JDA AMP 13.2231
Pocket No.: 3; Query (leader) PDB : 3U40; Ligand: ADN; Similar sites found with APoc: 35
This union binding pocket(no: 3) in the query (biounit: 3u40.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4S1D 41M 2.33645
2 4D9C PMP 2.89256
3 3BGD PM6 2.89256
4 1JH7 UVC 3.1746
5 5A89 FMN 3.20513
6 3HB5 NAP 3.30579
7 2J5S KTA 3.30579
8 1VKO NAD 3.30579
9 1KDK DHT 3.38983
10 2WPF WPF 3.71901
11 2WPF FAD 3.71901
12 1RM0 NAI 3.71901
13 3G2O SAM 3.71901
14 2XIQ MLC 4.13223
15 2NYA MGD 4.13223
16 5C9P FUC 4.54545
17 4XMF HSM 5.97826
18 1VRP IOM 6.19835
19 4PIV NDP 6.19835
20 4YWV SSN 6.61157
21 3DAA PDD 7.02479
22 1U6R IOM 7.02479
23 4PNE SAH 7.02479
24 1GZF NAD 7.109
25 4GKV NAD 7.14286
26 3WIR BGC 7.43802
27 4NEC SAH 8.26446
28 2VPY MGD 8.69565
29 2P7Q GG6 9.02256
30 1JV1 UD1 9.50413
31 5OLK DTP 9.50413
32 4FXQ G9L 10.7438
33 1WDK NAD 14.0496
34 4R3U 3KK 14.557
35 4R3U 3HC 14.557
Pocket No.: 4; Query (leader) PDB : 3U40; Ligand: ADN; Similar sites found with APoc: 25
This union binding pocket(no: 4) in the query (biounit: 3u40.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5VM6 9EG None
2 5O2D 9HH 1.5
3 5GM1 SAH 2.06612
4 4R38 RBF 2.85714
5 3BGD SAH 2.89256
6 5JZJ AN2 2.89256
7 4ZS4 ATP 3.30579
8 5LI1 ANP 3.30579
9 3SLS ANP 3.30579
10 3QKD HI0 3.31492
11 3A4T SFG 4.13223
12 1H2B NAJ 4.13223
13 4FZV SAM 4.54545
14 2BZG SAH 5.17241
15 2IV2 2MD 5.3719
16 1K3T BRZ 5.3719
17 1OJZ NAD 5.66038
18 4RP9 ASC 5.78512
19 2V3V MGD 7.02479
20 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 7.02479
21 4R6W SAH 7.43802
22 4H3P ANP 7.85124
23 5OMY 9YE 9.97442
24 1G8K MGD 12.0301
25 5JAQ NAI 12.8099
Pocket No.: 5; Query (leader) PDB : 3U40; Ligand: ADN; Similar sites found with APoc: 5
This union binding pocket(no: 5) in the query (biounit: 3u40.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3ESS 18N 4.34783
2 2YQS UD1 6.19835
3 3W6G FLC 6.94444
4 1GQ2 NAP 7.43802
5 2RGX AP5 12.1359
Pocket No.: 6; Query (leader) PDB : 3U40; Ligand: ADN; Similar sites found with APoc: 5
This union binding pocket(no: 6) in the query (biounit: 3u40.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1LLU NAD 2.47934
2 4EN4 GT1 6.61157
3 4EN4 ATP 6.61157
4 4GV4 MEJ 6.72269
5 5V6F MAN BMA MAN 9.42029
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