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Receptor
PDB id Resolution Class Description Source Keywords
3FWN 1.5 Å EC: 1.1.1.44 DIMERIC 6-PHOSPHOGLUCONATE DEHYDROGENASE COMPLEXED WITH 6- PHOSPHOGLUCONATE AND 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE ESCHERICHIA COLI NADP PENTOSE PHOSPHATE PATHWAY OXIDOREDUCTASE 6-PHOSPHOGLDEHYDROGENASE 6-PHOSPHOGLUCONATE GLUCONATE UTILIZATION PSHUNT
Ref.: CONFORMATIONAL CHANGES ASSOCIATED WITH COFACTOR/SUB BINDING OF 6-PHOSPHOGLUCONATE DEHYDROGENASE FROM ES COLI AND KLEBSIELLA PNEUMONIAE: IMPLICATIONS FOR EN MECHANISM J.STRUCT.BIOL. V. 169 25 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6PG A:2002;
B:2001;
Valid;
Valid;
none;
none;
submit data
276.135 C6 H13 O10 P C([C@...
ATR B:2000;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FWN 1.5 Å EC: 1.1.1.44 DIMERIC 6-PHOSPHOGLUCONATE DEHYDROGENASE COMPLEXED WITH 6- PHOSPHOGLUCONATE AND 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE ESCHERICHIA COLI NADP PENTOSE PHOSPHATE PATHWAY OXIDOREDUCTASE 6-PHOSPHOGLDEHYDROGENASE 6-PHOSPHOGLUCONATE GLUCONATE UTILIZATION PSHUNT
Ref.: CONFORMATIONAL CHANGES ASSOCIATED WITH COFACTOR/SUB BINDING OF 6-PHOSPHOGLUCONATE DEHYDROGENASE FROM ES COLI AND KLEBSIELLA PNEUMONIAE: IMPLICATIONS FOR EN MECHANISM J.STRUCT.BIOL. V. 169 25 2010
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2ZYA - 6PG C6 H13 O10 P C([C@H]([C....
2 3FWN - ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
3 2ZYD - GLO C6 H12 O6 C([C@H]([C....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZYA - 6PG C6 H13 O10 P C([C@H]([C....
2 3FWN - ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
3 2ZYD - GLO C6 H12 O6 C([C@H]([C....
4 2W8Z - 6PG C6 H13 O10 P C([C@H]([C....
5 2W90 - 6PG C6 H13 O10 P C([C@H]([C....
6 1PGP Kd = 2 uM 6PG C6 H13 O10 P C([C@H]([C....
7 4GWK Ki = 489 uM 3PG C3 H7 O7 P C([C@H](C(....
8 1PGO - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 1PGN - NBP C21 H27 Br N7 O17 P3 c1cc(c[n+]....
10 2IYO - 6PG C6 H13 O10 P C([C@H]([C....
11 2IZ1 - RES C4 H10 N O8 P C([C@H]([C....
12 2P4Q - FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZYA - 6PG C6 H13 O10 P C([C@H]([C....
2 3FWN - ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
3 2ZYD - GLO C6 H12 O6 C([C@H]([C....
4 6FQZ - 6PG C6 H13 O10 P C([C@H]([C....
5 2W8Z - 6PG C6 H13 O10 P C([C@H]([C....
6 2W90 - 6PG C6 H13 O10 P C([C@H]([C....
7 1PGP Kd = 2 uM 6PG C6 H13 O10 P C([C@H]([C....
8 4GWK Ki = 489 uM 3PG C3 H7 O7 P C([C@H](C(....
9 1PGO - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 1PGN - NBP C21 H27 Br N7 O17 P3 c1cc(c[n+]....
11 2IYO - 6PG C6 H13 O10 P C([C@H]([C....
12 2IZ1 - RES C4 H10 N O8 P C([C@H]([C....
13 2P4Q - FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6PG; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 LG6 1 1
2 6PG 1 1
3 R10 0.72973 1
4 PA5 0.72973 1
5 I22 0.658537 0.916667
6 GOS 0.647059 0.914286
7 M2P 0.647059 0.914286
8 DEZ 0.605263 1
9 DER 0.605263 1
10 KD0 0.568182 1
11 S6P 0.564103 0.861111
12 TG6 0.534884 0.916667
13 F6R 0.534884 0.916667
14 M6R 0.511628 0.704545
15 G6Q 0.511628 0.970588
16 AGP 0.511628 0.704545
17 PAN 0.511111 0.702128
18 P6F 0.511111 0.942857
19 P6T 0.511111 0.942857
20 2FP 0.511111 0.942857
21 A5P 0.5 0.837838
22 DX5 0.5 0.837838
23 4TP 0.5 0.829268
24 LX1 0.5 0.861111
25 R52 0.5 0.970588
26 9C2 0.5 0.6875
27 R5P 0.5 0.970588
28 GCO 0.5 0.6
29 LXP 0.5 0.837838
30 CS2 0.5 0.6
31 1NT 0.490196 1
32 5SP 0.488372 0.891892
33 HMS 0.488372 0.891892
34 5RP 0.488372 0.891892
35 LRY 0.48 0.75
36 52L 0.479167 0.755556
37 H4P 0.479167 0.727273
38 DXP 0.47619 0.861111
39 TX4 0.465116 0.659574
40 DG6 0.465116 0.815789
41 3PG 0.461538 0.941176
42 HG3 0.459459 0.882353
43 DG2 0.452381 0.911765
44 XBP 0.444444 0.888889
45 RES 0.444444 0.702128
46 RUB 0.444444 0.888889
47 FQ8 0.425532 0.864865
48 PAI 0.415094 0.75
49 SEP 0.404762 0.707317
50 E4P 0.404762 0.911765
51 22H 0.4 0.693878
Ligand no: 2; Ligand: ATR; Similar ligands found: 328
No: Ligand ECFP6 Tc MDL keys Tc
1 ATR 1 1
2 A2P 0.835616 0.985294
3 A2R 0.825 0.957747
4 A22 0.814815 0.957747
5 NA7 0.776471 0.931507
6 2AM 0.739726 0.971014
7 25L 0.711111 0.957747
8 ADP 0.708861 0.971429
9 PAP 0.707317 0.985507
10 2A5 0.695122 0.917808
11 25A 0.681818 0.943662
12 7D3 0.6625 0.90411
13 ODP 0.644231 0.883117
14 HEJ 0.642857 0.971429
15 ATP 0.642857 0.971429
16 NPW 0.640777 0.860759
17 NDP 0.640777 0.894737
18 AQP 0.635294 0.971429
19 5FA 0.635294 0.971429
20 NZQ 0.634615 0.883117
21 TXP 0.634615 0.894737
22 A2D 0.62963 0.943662
23 NJP 0.628571 0.918919
24 B4P 0.626506 0.943662
25 AP5 0.626506 0.943662
26 OVE 0.625 0.930556
27 XNP 0.622642 0.871795
28 AN2 0.619048 0.957747
29 BA3 0.614458 0.943662
30 7D4 0.611765 0.90411
31 SAP 0.609195 0.918919
32 AGS 0.609195 0.918919
33 PO4 PO4 A A A A PO4 0.606383 0.928571
34 AT4 0.6 0.931507
35 AV2 0.6 0.943662
36 V3L 0.595506 0.943662
37 ACQ 0.595506 0.944444
38 A3P 0.595238 0.971014
39 6YZ 0.593407 0.944444
40 M33 0.593023 0.930556
41 NAP 0.59292 0.917808
42 TAP 0.587719 0.881579
43 ACP 0.586207 0.944444
44 7L1 0.582609 0.772727
45 NA0 0.582609 0.905405
46 3AM 0.580247 0.928571
47 APR 0.579545 0.943662
48 AR6 0.579545 0.943662
49 ANP 0.577778 0.944444
50 DG1 0.573913 0.894737
51 1DG 0.573913 0.894737
52 A 0.573171 0.942857
53 AMP 0.573171 0.942857
54 AD9 0.573034 0.944444
55 PPS 0.571429 0.871795
56 ADQ 0.568421 0.917808
57 DAT 0.568182 0.930556
58 TAT 0.56044 0.931507
59 T99 0.56044 0.931507
60 ADX 0.556818 0.848101
61 CA0 0.556818 0.917808
62 7D5 0.555556 0.876712
63 50T 0.550562 0.930556
64 ATF 0.548387 0.931507
65 CO7 0.544715 0.781609
66 PRX 0.544444 0.866667
67 APC 0.544444 0.931507
68 3AT 0.543478 0.971429
69 ENP 0.540816 0.891892
70 9X8 0.540816 0.893333
71 OAD 0.540816 0.917808
72 ABM 0.534884 0.890411
73 BIS 0.53 0.906667
74 SRA 0.529412 0.891892
75 DTP 0.526882 0.930556
76 AP2 0.522727 0.931507
77 A12 0.522727 0.931507
78 5AL 0.521277 0.90411
79 A1R 0.520408 0.881579
80 A3R 0.520408 0.881579
81 00A 0.515152 0.857143
82 3OD 0.514852 0.917808
83 SRP 0.510417 0.88
84 5SV 0.510204 0.822785
85 0WD 0.508772 0.894737
86 NMN AMP PO4 0.508772 0.844156
87 AU1 0.505495 0.944444
88 ADP PO3 0.505376 0.915493
89 XYA 0.5 0.816901
90 RAB 0.5 0.816901
91 ADN 0.5 0.816901
92 AR6 AR6 0.495327 0.890411
93 ADP BMA 0.49505 0.891892
94 8QN 0.494949 0.90411
95 OOB 0.494949 0.90411
96 DDS 0.494737 0.902778
97 AMO 0.49 0.905405
98 PAJ 0.49 0.858974
99 4AD 0.49 0.893333
100 RBY 0.489362 0.905405
101 ADV 0.489362 0.905405
102 OMR 0.486486 0.82716
103 12D 0.486239 0.804878
104 FYA 0.485437 0.878378
105 PTJ 0.485437 0.87013
106 1ZZ 0.485437 0.814815
107 AHX 0.485149 0.87013
108 DLL 0.485149 0.90411
109 MAP 0.484848 0.918919
110 ALF ADP 0.484536 0.844156
111 ADP ALF 0.484536 0.844156
112 N01 0.483051 0.878378
113 LMS 0.482759 0.802469
114 UPA 0.482143 0.881579
115 AFH 0.481481 0.858974
116 G5P 0.481481 0.894737
117 3UK 0.480392 0.891892
118 VO4 ADP 0.479592 0.90411
119 ADP VO4 0.479592 0.90411
120 GAP 0.479167 0.866667
121 SON 0.478261 0.905405
122 NAI 0.477477 0.881579
123 128 0.477477 0.795181
124 NAX 0.477477 0.848101
125 UP5 0.477477 0.893333
126 9SN 0.47619 0.846154
127 PR8 0.475728 0.825
128 B5V 0.475728 0.88
129 WAQ 0.475728 0.857143
130 LAD 0.475728 0.835443
131 6AD 0.474227 0.883117
132 ITT 0.473118 0.915493
133 G3A 0.472222 0.894737
134 ME8 0.471154 0.814815
135 TXA 0.471154 0.905405
136 NB8 0.471154 0.87013
137 AP0 0.469027 0.87013
138 48N 0.468468 0.87013
139 7D7 0.468354 0.739726
140 NDO 0.467213 0.891892
141 DCA 0.466667 0.8
142 ETB 0.466667 0.809524
143 APU 0.464912 0.893333
144 TXD 0.464286 0.881579
145 6V0 0.464286 0.87013
146 DQV 0.463636 0.930556
147 GTA 0.463636 0.860759
148 A A 0.461538 0.916667
149 101 0.460674 0.876712
150 TXE 0.460177 0.881579
151 COA 0.459016 0.8
152 0T1 0.459016 0.8
153 B5Y 0.457944 0.868421
154 ATP A A A 0.457944 0.902778
155 FA5 0.457944 0.88
156 YAP 0.457944 0.868421
157 B5M 0.457944 0.868421
158 139 0.456897 0.848101
159 4TC 0.45614 0.87013
160 DA 0.455556 0.902778
161 D5M 0.455556 0.902778
162 GGZ 0.455446 0.846154
163 DAL AMP 0.455446 0.878378
164 XAH 0.453704 0.814815
165 HFD 0.453608 0.918919
166 A4P 0.452174 0.819277
167 A A A 0.451923 0.878378
168 5AS 0.451613 0.755814
169 DND 0.451327 0.905405
170 NXX 0.451327 0.905405
171 5N5 0.451219 0.791667
172 9ZD 0.45098 0.881579
173 9ZA 0.45098 0.881579
174 PUA 0.45082 0.883117
175 4UV 0.449541 0.868421
176 F2R 0.449153 0.839506
177 CAO 0.448 0.772727
178 30N 0.448 0.731183
179 COS 0.448 0.781609
180 AMX 0.448 0.809524
181 7DD 0.446809 0.957143
182 LAQ 0.446429 0.814815
183 5CD 0.445783 0.777778
184 A4D 0.445783 0.791667
185 COD 0.445378 0.788235
186 SCO 0.444444 0.8
187 ADJ 0.444444 0.82716
188 T5A 0.444444 0.817073
189 CMX 0.444444 0.8
190 NVA 2AD 0.443299 0.734177
191 CA6 0.44186 0.708333
192 GA7 0.441441 0.88
193 4UU 0.441441 0.868421
194 ACO 0.440945 0.772727
195 FCX 0.440945 0.772727
196 FAM 0.440945 0.781609
197 HDV 0.44 0.917808
198 AOC 0.43956 0.794521
199 A3G 0.43956 0.773333
200 MYR AMP 0.439252 0.792683
201 APX 0.439252 0.881579
202 4UW 0.438596 0.835443
203 NMX 0.438462 0.73913
204 80F 0.438017 0.817073
205 HAX 0.4375 0.781609
206 2VA 0.4375 0.773333
207 TYM 0.434783 0.88
208 FYN 0.434109 0.8
209 3KK 0.434109 0.781609
210 NAD 0.433333 0.90411
211 IVC 0.431818 0.790698
212 OXK 0.430769 0.781609
213 SOP 0.430769 0.781609
214 COK 0.430769 0.781609
215 MCD 0.430769 0.781609
216 EP4 0.430233 0.727273
217 JB6 0.429907 0.857143
218 YLP 0.429825 0.795181
219 CNA 0.428571 0.905405
220 6RE 0.428571 0.734177
221 CMC 0.427481 0.781609
222 1VU 0.427481 0.772727
223 CO6 0.427481 0.781609
224 A U 0.42735 0.844156
225 A3D 0.42623 0.891892
226 TM1 0.425926 0.792683
227 MC4 0.425373 0.73913
228 DTA 0.425287 0.76
229 M2T 0.425287 0.708861
230 J7V 0.425197 0.809524
231 SO8 0.424242 0.763158
232 CAJ 0.424242 0.781609
233 G5A 0.424242 0.755814
234 VRT 0.424242 0.74359
235 SCD 0.424242 0.8
236 2MC 0.424242 0.747253
237 TYR AMP 0.423423 0.844156
238 5X8 0.42268 0.736842
239 CA8 0.422222 0.708333
240 1HE 0.421053 0.764045
241 MLC 0.421053 0.781609
242 A1S 0.421053 0.781609
243 BCO 0.421053 0.781609
244 3HC 0.421053 0.790698
245 MTA 0.420455 0.746667
246 5AD 0.419753 0.742857
247 AS 0.419355 0.855263
248 YLB 0.418803 0.795181
249 YLC 0.418803 0.814815
250 CAA 0.41791 0.790698
251 YE1 0.41791 0.790698
252 COO 0.41791 0.781609
253 MCA 0.41791 0.772727
254 ZAS 0.417582 0.74026
255 ACK 0.417582 0.885714
256 103 0.417582 0.835616
257 QQY 0.417582 0.837838
258 A3S 0.416667 0.783784
259 Y3J 0.416667 0.722222
260 ARG AMP 0.415929 0.804878
261 7MD 0.415929 0.8375
262 SCA 0.414815 0.781609
263 2CP 0.414815 0.772727
264 ZDA 0.414141 0.863014
265 TSB 0.413462 0.795181
266 NAE 0.412698 0.868421
267 3CP 0.411765 0.781609
268 A5A 0.411765 0.783133
269 2KQ 0.411765 0.764045
270 COF 0.411765 0.764045
271 IRC 0.411765 0.790698
272 1GZ 0.411765 0.772727
273 COW 0.411765 0.772727
274 BYC 0.411765 0.781609
275 IOT 0.411765 0.807229
276 HGG 0.411765 0.781609
277 3AD 0.411765 0.802817
278 3DH 0.411111 0.746667
279 EAD 0.410853 0.848101
280 AMP DBH 0.410714 0.866667
281 S0N 0.410072 0.781609
282 1CZ 0.410072 0.772727
283 CO8 0.410072 0.764045
284 BTX 0.409836 0.817073
285 NAQ 0.409449 0.846154
286 4CA 0.408759 0.772727
287 BCA 0.408759 0.772727
288 FAQ 0.408759 0.781609
289 AHZ 0.408696 0.792683
290 NEC 0.408602 0.743243
291 NHW 0.408451 0.764045
292 NHM 0.408451 0.764045
293 UOQ 0.408451 0.764045
294 YLA 0.408333 0.795181
295 A3T 0.408163 0.794521
296 SSA 0.407767 0.776471
297 MFK 0.407143 0.764045
298 MYA 0.407143 0.764045
299 UCC 0.407143 0.764045
300 ST9 0.407143 0.764045
301 5F9 0.407143 0.764045
302 62F 0.407143 0.8375
303 DCC 0.407143 0.764045
304 QQX 0.406593 0.826667
305 ZID 0.40625 0.891892
306 HXC 0.405797 0.764045
307 GRA 0.405797 0.781609
308 LPA AMP 0.405172 0.792683
309 AYB 0.404959 0.785714
310 J7C 0.404255 0.74359
311 0ET 0.404255 0.764045
312 7DT 0.40404 0.957143
313 54H 0.403846 0.764706
314 52H 0.403846 0.755814
315 VMS 0.403846 0.764706
316 ANZ 0.403509 0.820513
317 PAX 0.403101 0.82716
318 TGC 0.402878 0.772727
319 S4M 0.4 0.643678
320 8X1 0.4 0.730337
321 G3D 0.4 0.905405
322 TAD 0.4 0.858974
323 CIC 0.4 0.781609
324 CCQ 0.4 0.747253
325 53H 0.4 0.755814
326 5CA 0.4 0.776471
327 A C A C 0.4 0.822785
328 2NE 0.4 0.764045
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FWN; Ligand: 6PG; Similar sites found with APoc: 118
This union binding pocket(no: 1) in the query (biounit: 3fwn.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1RV1 IMZ None
2 1O5O U5P 1.35747
3 1RQH PYR 1.45833
4 3O01 DXC 1.62338
5 3UDG TMP 1.66113
6 2JHP GUN 1.66667
7 1GZ4 FUM 1.66667
8 5FPN KYD 1.875
9 3FLK OXL 1.92308
10 1M2W MTL 2.08333
11 5TVI O8N 2.17391
12 4MDB RLT 2.22222
13 3ROE THM 2.26415
14 5OSW DIU 2.29167
15 4MRP GSH 2.29167
16 3ZQE DXC 2.29508
17 1N7G NDP 2.3622
18 4EDF UPG 2.5
19 3HP9 CF1 2.5
20 3HYW DCQ 2.55814
21 5NM7 GLY 2.63158
22 2OZ5 7XY 2.7027
23 2Q1W NAD 2.7027
24 4LOC OXM 2.70833
25 1GPE FAD 2.70833
26 5N26 CPT 2.74725
27 2Z7I 742 2.91667
28 6AP8 BNY 2.97398
29 4Q0A 4OA 2.98013
30 5LGA 6VH 3
31 2PW0 TRC 3.02267
32 5F74 AMP 3.06122
33 6BR8 PGV 3.1746
34 2QLU ADE 3.50318
35 5V49 MET 3.54167
36 3NB0 G6P 3.75
37 3R75 BEZ 3.75
38 4TS1 TYR 3.76176
39 5U83 ZN8 3.77358
40 2G36 TRP 3.82353
41 4UCC ZKW 3.86266
42 4V3I ASP LEU THR ARG PRO 3.89105
43 4WGF HX2 3.90244
44 2NNJ 225 3.9916
45 4F06 PHB 4.04313
46 2WD7 VGD 4.10448
47 1NU4 MLA 4.12371
48 2GWH PCI 4.36242
49 5CHR 4NC 4.37956
50 1AUA BOG 4.39189
51 1OBD AMP 4.57516
52 6AYU MLI 4.61095
53 2HZL PYR 4.65753
54 1Q7E MET 4.6729
55 4XCP PLM 4.70588
56 2CHT TSA 4.72441
57 6CB2 OLC 4.77816
58 3PN1 IVH 5.03145
59 1E4I NFG 5.14541
60 4K6B GLU 5.59006
61 1CX9 NHP 5.59701
62 5LNW HG3 5.6962
63 3E70 GDP 5.83333
64 3SQP 3J8 5.85774
65 1ID0 ANP 5.92105
66 1UUY PPI 5.98802
67 1R6N 434 6.16114
68 2BCG GER 6.18102
69 5IJJ I6P 6.25
70 3F8D FAD 6.50155
71 2FYF PLP 6.53266
72 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 6.69456
73 4JX1 CAH 6.74699
74 5V4R MGT 6.79012
75 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 6.95652
76 5LX9 OLB 7.16612
77 4L2I NAD 7.22543
78 4F4S EFO 7.89474
79 2B6N ALA PRO THR 7.91367
80 3KP6 SAL 7.94702
81 5UGW GSH 8
82 4LH7 1X8 8.35913
83 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 8.82353
84 1HBK COA 8.98876
85 4RQL SNE 9.03361
86 2GN2 C5P 9.35672
87 1Q1Y BB2 9.42408
88 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 9.86395
89 5IDB BMA 10.5634
90 5IDB MAN 10.5634
91 4RT1 C2E 10.7143
92 2ALG DAO 10.8696
93 4D3S BOG 10.9215
94 4URX FK1 12.4324
95 6BVM EBV 13.7725
96 6BVK EAV 13.7725
97 6BVJ EAS 13.7725
98 3RV5 DXC 14.6067
99 2VWA PTY 14.8515
100 1RZX ACE VAL LYS GLU SER LEU VAL 16.3265
101 2ZCQ B65 17.0648
102 4V2O CLQ 17.0732
103 5FQ0 FLC 18.4211
104 4UMA GZ3 18.5185
105 5WSY 7UC 20.8092
106 4RJD TFP 27.2727
107 1MID LAP 28.5714
108 5ZCO PGV 31.9149
109 5Z84 CHD 31.9149
110 5ZCO CHD 31.9149
111 5OCM 9RH 33.3333
112 1M2Z BOG 33.3333
113 5C9J DAO 34.3434
114 5U5G 7VD 35.5932
115 2Y69 CHD 36.5079
116 5Y02 HBX 37.3832
117 1T0S BML 39.5349
118 5XVH TLA 41.5033
Pocket No.: 2; Query (leader) PDB : 3FWN; Ligand: ATR; Similar sites found with APoc: 441
This union binding pocket(no: 2) in the query (biounit: 3fwn.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1RV1 IMZ None
2 3C7A NAD 1.25
3 1RQH PYR 1.45833
4 3OND NAD 1.45833
5 3OND ADN 1.45833
6 4URF NAD 1.6129
7 3UDG TMP 1.66113
8 1QMG APX 1.66667
9 1GZ4 FUM 1.66667
10 5Z21 NAI 1.67598
11 6C4M NAP 1.68776
12 1LUA NAP 1.74216
13 6A0S HSE 1.80723
14 6A0S NDP 1.80723
15 5FPN KYD 1.875
16 5M67 NAD 1.87891
17 5M67 ADE 1.87891
18 5M67 3D1 1.87891
19 1V8B NAD 1.87891
20 3L9W AMP 1.93705
21 4J1Q NDP 1.93966
22 1UXG FUM 1.94175
23 1UXG NAD 1.94175
24 3S5W FAD 1.94384
25 5FI3 NAP 1.96078
26 4FN4 NAD 1.9685
27 1O6Z NAD 1.9802
28 5YU3 NAD 2.03488
29 5YU3 PRO 2.03488
30 1F8G NAD 2.08333
31 1LJ8 NAD 2.08333
32 1VJT NAD 2.08333
33 1M2W MTL 2.08333
34 1M2W NAD 2.08333
35 3IHG FAD 2.08333
36 1V59 NAD 2.09205
37 5ODT ADP 2.12014
38 4E5N NAD 2.12121
39 4D42 NAP 2.12766
40 4D42 W0I 2.12766
41 1P0F NAP 2.14477
42 1UP7 NAD 2.15827
43 1UP7 G6P 2.15827
44 1OMO NAD 2.17391
45 5TVI O8N 2.17391
46 4MDB RLT 2.22222
47 1SC6 NAD 2.22772
48 1EBF NAD 2.23464
49 1X14 NAD 2.24439
50 3ROE THM 2.26415
51 5OSW DIU 2.29167
52 5U8U FAD 2.29167
53 5J5Z FAD 2.29167
54 4MRP GSH 2.29167
55 1Q9I FAD 2.29167
56 1Q9I TEO 2.29167
57 3GD4 NAD 2.29167
58 1GQ2 NAP 2.29167
59 1MUU NAD 2.29358
60 1MV8 NAD 2.29358
61 4XQC 13D 2.31579
62 4XQC NAD 2.31579
63 6CEP OXM 2.39521
64 6CEP NAD 2.39521
65 4PLG NAI 2.39521
66 4PLG OXM 2.39521
67 1J0X NAD 2.40964
68 1NVT NAP 2.43902
69 6C4T NA7 2.44444
70 2NPX NAD 2.46085
71 2PK3 A2R 2.49221
72 4EDF UPG 2.5
73 5BSH PRO 2.52708
74 1PL6 NAD 2.52809
75 1PL6 572 2.52809
76 5E9W SAH 2.5641
77 1XXA ARG 2.5641
78 5Z20 NAI 2.6087
79 5NM7 GLY 2.63158
80 4MP8 MLI 2.65487
81 4MP8 NAD 2.65487
82 1U3U BNF 2.6738
83 1U3U NAD 2.6738
84 2JHF NAD 2.6738
85 6D6Y SAH 2.67686
86 4GKV NAD 2.67857
87 2OZ5 7XY 2.7027
88 4LOC OXM 2.70833
89 1O0S NAI 2.70833
90 2IID PHE 2.70833
91 2IID FAD 2.70833
92 1DLJ UGA 2.73632
93 1DLJ NAI 2.73632
94 3VSE SAH 2.76382
95 5LD5 NAD 2.7933
96 4DMG SAM 2.79898
97 1M0U GSH 2.81124
98 2DT5 NAD 2.8436
99 2BGM NAJ 2.8777
100 4IF4 BEF 2.88462
101 2B4R AES 2.89855
102 2B4R NAD 2.89855
103 3VPH OXM 2.90323
104 3VPH NAD 2.90323
105 3ICS ADP 2.91667
106 3ICT ADP 2.91667
107 1DJN ADP 2.91667
108 1REO FAD 2.91667
109 4Y9D NAI 2.95082
110 1Q0H FOM 2.95567
111 1Q0H NDP 2.95567
112 6AP8 BNY 2.97398
113 3CHT 4NB 2.97619
114 4BVA NDP 2.98507
115 4BVA T3 2.98507
116 5EW0 3C7 2.99145
117 1J49 NAD 3.003
118 5F74 AMP 3.06122
119 1YS4 NAP 3.10734
120 2WR9 MAN MAN 3.125
121 6BR8 PGV 3.1746
122 4JJF FE9 3.19767
123 4JJF N2I 3.19767
124 3ITJ CIT 3.25444
125 3WBF NAP 3.27869
126 3WBF API 3.27869
127 4PLT OXM 3.32326
128 4PLT NAI 3.32326
129 4XB2 NDP 3.33333
130 4XB2 HSE 3.33333
131 5KVS NAP 3.37662
132 3EGI ADP 3.39806
133 2RAB NAD 3.45572
134 4RQU NAD 3.46667
135 1ZQ9 SAM 3.50877
136 1KOL NAD 3.51759
137 3WLE NAD 3.51906
138 2CDU ADP 3.53982
139 5ZZ6 NAD 3.54167
140 2ZJ1 ARJ 3.54167
141 2ZJ1 NAD 3.54167
142 5V49 MET 3.54167
143 3WQQ NDP 3.54167
144 3WQQ IB3 3.54167
145 5TS5 FAD 3.54167
146 5ZZ6 ADP 3.54167
147 3V1Y NAD 3.56083
148 2GLX NDP 3.61446
149 1PZG A3D 3.62538
150 1B8U NAD 3.64742
151 5O4J SAH 3.64964
152 5O4J PJL 3.64964
153 5O4J 9KH 3.64964
154 1BW9 NAD 3.65169
155 1BXG NAD 3.65169
156 1C1X NAD 3.66197
157 3H5N ATP 3.68272
158 1LVL NAD 3.71179
159 3GFB NAD 3.71429
160 2DFV NAD 3.7464
161 3NB0 G6P 3.75
162 3R75 BEZ 3.75
163 1D1T NAD 3.75335
164 5U83 ZN8 3.77358
165 6C4N NAP 3.78619
166 2G36 TRP 3.82353
167 1N1G BCP 3.82514
168 4UCC ZKW 3.86266
169 5AYV KPL 3.8835
170 5AYV NAP 3.8835
171 4V3I ASP LEU THR ARG PRO 3.89105
172 3KB6 NAD 3.89222
173 4Z0H NAD 3.89222
174 3CIF NAD 3.89972
175 3CIF G3H 3.89972
176 4WGF HX2 3.90244
177 4XZ3 COA 3.91304
178 4D04 NAP 3.95833
179 4D04 FAD 3.95833
180 4KP7 NAP 3.98126
181 4KP7 1UQ 3.98126
182 2NNJ 225 3.9916
183 4YT4 FE9 4
184 1F8F NAD 4.04313
185 4F06 PHB 4.04313
186 2WD7 VGD 4.10448
187 1NU4 MLA 4.12371
188 4XDY NAI 4.14201
189 5GSN NAP 4.16667
190 4DPL NAP 4.16667
191 2D2I NAP 4.21053
192 4ZVV NAD 4.21687
193 4ZVV GN0 4.21687
194 4JK3 NAD 4.2471
195 4J4H NAI 4.2471
196 4J4H 1J1 4.2471
197 5X9D 80F 4.27632
198 2GN4 UD1 4.36047
199 2GWH PCI 4.36242
200 5XHA FRU 4.375
201 1PJS NAD 4.37637
202 1AUA BOG 4.39189
203 5VN0 NAI 4.44015
204 1HYE NAP 4.47284
205 5D4V SAH 4.47761
206 1DSS NAD 4.5045
207 9LDB NAD 4.51807
208 9LDT NAD 4.51807
209 1E3I CXF 4.52128
210 1X7D NAD 4.57143
211 1X7D ORN 4.57143
212 1OBD AMP 4.57516
213 5UR0 NAD 4.58333
214 6AYU MLI 4.61095
215 4B4U NAP 4.62046
216 4EMI NAD 4.63415
217 2HZL PYR 4.65753
218 3VZS NAP 4.66926
219 1Q7E MET 4.6729
220 1A5Z NAD 4.70219
221 3B20 NAD 4.71976
222 2CHT TSA 4.72441
223 4UP3 NDP 4.77707
224 4OM8 NAD 4.85437
225 1LDM NAD 4.86322
226 2AG8 NAP 4.94297
227 3ULK NDP 5
228 1MO9 KPC 5
229 1MO9 FAD 5
230 5MBX FAD 5
231 5MBX SP5 5
232 3PN1 IVH 5.03145
233 1LDN NAD 5.06329
234 3O5X JZG 5.07246
235 3OFK SAH 5.09259
236 1E5Q NDP 5.11111
237 1J5P NAD 5.13834
238 5H81 NAP 5.14139
239 4TSK NDP 5.14286
240 2Q0L NAP 5.14469
241 1LLU NAD 5.26316
242 1H82 GZZ 5.29661
243 1H82 FAD 5.29661
244 6AA8 NAD 5.29801
245 4E13 NAD 5.30035
246 1CF2 NAP 5.34125
247 2NVK NAP 5.41667
248 1OBB NAD 5.41667
249 1RM0 D6P 5.41667
250 4OOE FOM 5.44554
251 4OOE NDP 5.44554
252 1NVM NAD 5.44872
253 2YVJ NAI 5.50459
254 4K6B GLU 5.59006
255 3CGD NAD 5.625
256 3CGD FAD 5.625
257 3CGD COA 5.625
258 1EZ4 NAD 5.66038
259 1YQD NAP 5.7377
260 1SOW NAD 5.79268
261 1GV0 NAD 5.80645
262 3ABI NAD 5.83333
263 3E70 GDP 5.83333
264 1KYQ NAD 5.83942
265 3VYW SAM 5.84416
266 3SQP 3J8 5.85774
267 2NU8 COA 5.90278
268 2A92 NAI 5.919
269 1ID0 ANP 5.92105
270 5O9F NAD 5.96591
271 5O9F 9ON 5.96591
272 1UUY PPI 5.98802
273 1VI2 NAD 6
274 5N6C NAD 6
275 2VT3 ATP 6.04651
276 5W7M SAH 6.08974
277 2HJR APR 6.09756
278 1R6N 434 6.16114
279 3NJ4 AFX 6.2069
280 3NJ4 NAD 6.2069
281 4NBW NAD 6.22568
282 1NPD NAD 6.25
283 5IJJ I6P 6.25
284 3OJO NAD 6.2645
285 2VYN NAD 6.28743
286 2WPF WPF 6.45833
287 2WPF FAD 6.45833
288 1ZH8 NAP 6.47059
289 5W3K NDP 6.47059
290 5W3K 9TY 6.47059
291 1PD2 GSH 6.53266
292 2FYF PLP 6.53266
293 6A3J NAI 6.58537
294 6A3J SOE 6.58537
295 3H9E NAD 6.6474
296 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 6.69456
297 1UPF URF 6.69643
298 2YY7 NAD 6.73077
299 5GZ6 NDP 6.74847
300 5GZ6 7C3 6.74847
301 1GUZ NAD 6.77419
302 5V4R MGT 6.79012
303 4KQW NAP 6.85714
304 4KOA NDP 6.90691
305 3BAZ NAP 6.90691
306 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 6.95652
307 2GCG NDP 6.9697
308 5T9E NAP 7.01107
309 2G5C NAD 7.11744
310 4L8V NAP 7.12166
311 1T26 GBD 7.14286
312 1T26 NAI 7.14286
313 5LX9 OLB 7.16612
314 2DBZ NAP 7.18563
315 3H8V ATP 7.19178
316 4ZGS NAD 7.25389
317 4O0L NDP 7.27273
318 1NYT NAP 7.38007
319 5T9F TYR 7.38007
320 5T9F NAP 7.38007
321 1Y8Q ATP 7.51445
322 5L95 AMP 7.52688
323 1V6A TRE 7.53012
324 5MIT NAP 7.64526
325 5MIT FAD 7.64526
326 1PS9 NAP 7.70833
327 3A06 NDP 7.71277
328 3A06 FOM 7.71277
329 5OJL TXP 7.71812
330 2AHR NAP 7.72201
331 1HYH NAD 7.76699
332 1LTH NAD 7.83699
333 4GLW 0XT 7.86885
334 2AOT SAH 7.87671
335 1VM6 NAD 7.89474
336 4F4S EFO 7.89474
337 3KP6 SAL 7.94702
338 5XL4 SIA 7.95455
339 1P1C SAH 8.0402
340 5OFW 9TW 8.07175
341 5TC4 NAD 8.22785
342 2OOR NAD 8.33333
343 4LH7 1X8 8.35913
344 3HAD NAD 8.44156
345 1YJQ NAP 8.58086
346 2HK9 ATR 8.72727
347 2HK9 NAP 8.72727
348 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 8.82353
349 3GGO ENO 8.9172
350 3GGO NAI 8.9172
351 2FZW NAD 8.95833
352 4RQL SNE 9.03361
353 1P77 ATR 9.19118
354 3DAG FEG 9.21788
355 3WMX NAD 9.21788
356 5N53 8NB 9.23077
357 5UAV TFB 9.31677
358 5UAV NDP 9.31677
359 2GN2 C5P 9.35672
360 1F06 2NP 9.375
361 1F06 NDP 9.375
362 1Q1Y BB2 9.42408
363 4YAC NAI 9.42761
364 6F3N ADN 9.5339
365 6F3N NAD 9.5339
366 4D3F NAP 9.67742
367 1WDK NAD 9.74359
368 1H2B NAJ 9.7493
369 6F3M NAD 9.78261
370 5AHO TLA 9.82143
371 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 9.86395
372 2EV9 SKM 9.88593
373 2EV9 NAP 9.88593
374 5VKT NAP 9.94475
375 5AOV NAP 10.2083
376 1WPQ NAD 10.3152
377 4RDH AMP 10.4167
378 4RDI ATP 10.4167
379 5IDB BMA 10.5634
380 5IDB MAN 10.5634
381 5X20 NAD 10.5769
382 4RT1 C2E 10.7143
383 1Z82 NDP 10.7463
384 4D79 ATP 10.8696
385 2ALG DAO 10.8696
386 4D3S BOG 10.9215
387 4CQM NAP 11.0656
388 2PV7 NAD 11.0738
389 2HMT NAI 11.1111
390 4DCM SAM 11.7333
391 1O94 ADP 11.7424
392 4URX FK1 12.4324
393 2VHW NAI 12.4668
394 5YEC ATP 12.605
395 4YCA NDP 13.2653
396 6BVM EBV 13.7725
397 6BVK EAV 13.7725
398 6BII NAP 13.8138
399 3WV8 ATP 14.2202
400 5CAE COA 14.4304
401 3RV5 DXC 14.6067
402 5CIC 51R 14.8148
403 2VWA PTY 14.8515
404 1JAY NAP 16.0377
405 1CDO NAD 16.3102
406 1LSS NAD 16.4286
407 4V2O CLQ 17.0732
408 2F1K NAP 17.2043
409 5FQ0 FLC 18.4211
410 4UMA GZ3 18.5185
411 3B1F NAD 19.3103
412 5WSY 7UC 20.8092
413 5JE8 NAD 22.1854
414 1I36 NAP 22.7273
415 5E8J SAH 22.7273
416 5N2I NAP 24.1379
417 3Q3C NAD 25.4181
418 4RJD TFP 27.2727
419 5Y8L HUI 27.4576
420 5Y8L NAD 27.4576
421 1MID LAP 28.5714
422 2CVZ NDP 29.7578
423 1WP4 NDP 30.7958
424 5ZCO CHD 31.9149
425 5Z84 CHD 31.9149
426 5Z84 PGV 31.9149
427 5ZCO PGV 31.9149
428 5W97 CHD 31.9149
429 2DYS PGV 31.9149
430 5OCM NAP 33.3333
431 5OCM 9RH 33.3333
432 1M2Z BOG 33.3333
433 5C9J DAO 34.3434
434 5U5G 7VD 35.5932
435 5U5G NAP 35.5932
436 2Y69 CHD 36.5079
437 5Y02 HBX 37.3832
438 1T0S BML 39.5349
439 5XVH NAP 41.5033
440 5XVH TLA 41.5033
441 4II2 ATP 46.988
Pocket No.: 3; Query (leader) PDB : 3FWN; Ligand: 6PG; Similar sites found with APoc: 38
This union binding pocket(no: 3) in the query (biounit: 3fwn.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 2ZUX RAM 1.875
3 4OYA 1VE 1.91489
4 1M5B BN1 2.28137
5 1RPN NDP 2.38806
6 5AM1 I5T 2.5
7 2AL2 2PG 2.52294
8 2AL2 PEP 2.52294
9 1DLJ UGA 2.73632
10 3CHT 4NB 2.97619
11 5D85 P1T 3.06748
12 4B16 NAG 3.38346
13 1ZED PNP 3.54167
14 1XF1 CIT 3.75
15 3V1S 0LH 4.34783
16 2HHP FLC 4.375
17 2Y88 2ER 4.5082
18 5GWE GWM 4.69136
19 3SIX GDP 4.84848
20 3RDE OYP 4.88656
21 2Q8G AZX 5.40541
22 5EXA 5SO 5.65217
23 4ZGM 32M 5.7377
24 4RW3 PLM 5.96026
25 1UPF URF 6.69643
26 1DUV PSQ 6.90691
27 2V5E SCR 7.5
28 1EWF PC1 7.67544
29 5NGZ 2BG 8.33333
30 1OT6 HC4 8.8
31 5KOR GDP 8.95833
32 2G2Y MLI 10.0649
33 3TJH SER PRO LEU ASP SER LEU TRP TRP ILE 10.6195
34 4YSX E23 11.5385
35 1XTT U5P 12.037
36 1OTH PAO 12.1495
37 5Y8L NAD 27.4576
38 5Y8L HUI 27.4576
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