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 5 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 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 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 (12)
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 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-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6PG; Similar ligands found: 48
No: Ligand ECFP6 Tc MDL keys Tc
1 LG6 1 1
2 6PG 1 1
3 PA5 0.72973 1
4 R10 0.72973 1
5 I22 0.658537 0.916667
6 M2P 0.647059 0.914286
7 DER 0.605263 1
8 DEZ 0.605263 1
9 KD0 0.568182 1
10 S6P 0.564103 0.861111
11 TG6 0.534884 0.916667
12 F6R 0.534884 0.916667
13 M6R 0.511628 0.704545
14 AGP 0.511628 0.704545
15 G6Q 0.511628 0.970588
16 PAN 0.511111 0.702128
17 P6F 0.511111 0.942857
18 P6T 0.511111 0.942857
19 2FP 0.511111 0.942857
20 GCO 0.5 0.6
21 DX5 0.5 0.837838
22 R52 0.5 0.970588
23 LX1 0.5 0.861111
24 R5P 0.5 0.970588
25 A5P 0.5 0.837838
26 CS2 0.5 0.6
27 LXP 0.5 0.837838
28 4TP 0.5 0.829268
29 1NT 0.490196 1
30 HMS 0.488372 0.891892
31 5RP 0.488372 0.891892
32 5SP 0.488372 0.891892
33 LRY 0.48 0.75
34 H4P 0.479167 0.727273
35 52L 0.479167 0.755556
36 DXP 0.47619 0.861111
37 DG6 0.465116 0.815789
38 TX4 0.465116 0.659574
39 3PG 0.461538 0.941176
40 HG3 0.459459 0.882353
41 DG2 0.452381 0.911765
42 XBP 0.444444 0.888889
43 RUB 0.444444 0.888889
44 RES 0.444444 0.702128
45 PAI 0.415094 0.75
46 E4P 0.404762 0.911765
47 SEP 0.404762 0.707317
48 22H 0.4 0.693878
Ligand no: 2; Ligand: ATR; Similar ligands found: 314
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 ATP 0.642857 0.971429
15 NPW 0.640777 0.860759
16 NDP 0.640777 0.894737
17 5FA 0.635294 0.971429
18 AQP 0.635294 0.971429
19 NZQ 0.634615 0.883117
20 TXP 0.634615 0.894737
21 A2D 0.62963 0.943662
22 NJP 0.628571 0.918919
23 AP5 0.626506 0.943662
24 B4P 0.626506 0.943662
25 OVE 0.625 0.930556
26 XNP 0.622642 0.871795
27 AN2 0.619048 0.957747
28 BA3 0.614458 0.943662
29 7D4 0.611765 0.90411
30 SAP 0.609195 0.918919
31 AGS 0.609195 0.918919
32 PO4 PO4 A A A A PO4 0.606383 0.928571
33 AV2 0.6 0.943662
34 V3L 0.595506 0.943662
35 ACQ 0.595506 0.944444
36 A3P 0.595238 0.971014
37 M33 0.593023 0.930556
38 NAP 0.59292 0.917808
39 TAP 0.587719 0.881579
40 ACP 0.586207 0.944444
41 NA0 0.582609 0.905405
42 3AM 0.580247 0.928571
43 AR6 0.579545 0.943662
44 APR 0.579545 0.943662
45 ANP 0.577778 0.944444
46 DG1 0.573913 0.894737
47 1DG 0.573913 0.894737
48 A 0.573171 0.942857
49 AMP 0.573171 0.942857
50 AD9 0.573034 0.944444
51 PPS 0.571429 0.871795
52 ADQ 0.568421 0.917808
53 DAT 0.568182 0.930556
54 TAT 0.56044 0.931507
55 CA0 0.556818 0.917808
56 ADX 0.556818 0.848101
57 7D5 0.555556 0.876712
58 50T 0.550562 0.930556
59 ATF 0.548387 0.931507
60 CO7 0.544715 0.781609
61 PRX 0.544444 0.866667
62 APC 0.544444 0.931507
63 3AT 0.543478 0.971429
64 AMP MG 0.541176 0.864865
65 OAD 0.540816 0.917808
66 ENP 0.540816 0.891892
67 ABM 0.534884 0.890411
68 BIS 0.53 0.906667
69 SRA 0.529412 0.891892
70 DTP 0.526882 0.930556
71 A12 0.522727 0.931507
72 AP2 0.522727 0.931507
73 ADP MG 0.522222 0.878378
74 5AL 0.521277 0.90411
75 A1R 0.520408 0.881579
76 BEF ADP 0.516484 0.855263
77 ADP BEF 0.516484 0.855263
78 00A 0.515152 0.857143
79 3OD 0.514852 0.917808
80 SRP 0.510417 0.88
81 5SV 0.510204 0.822785
82 0WD 0.508772 0.894737
83 NMN AMP PO4 0.508772 0.844156
84 AU1 0.505495 0.944444
85 ADP PO3 0.505376 0.915493
86 XYA 0.5 0.816901
87 ADN 0.5 0.816901
88 ATP MG 0.5 0.878378
89 RAB 0.5 0.816901
90 AR6 AR6 0.495327 0.890411
91 ADP BMA 0.49505 0.891892
92 8QN 0.494949 0.90411
93 OOB 0.494949 0.90411
94 DDS 0.494737 0.902778
95 AMO 0.49 0.905405
96 PAJ 0.49 0.858974
97 4AD 0.49 0.893333
98 ADV 0.489362 0.905405
99 RBY 0.489362 0.905405
100 OMR 0.486486 0.82716
101 12D 0.486239 0.804878
102 FYA 0.485437 0.878378
103 PTJ 0.485437 0.87013
104 1ZZ 0.485437 0.814815
105 DLL 0.485149 0.90411
106 AHX 0.485149 0.87013
107 MAP 0.484848 0.918919
108 ADP ALF 0.484536 0.844156
109 ALF ADP 0.484536 0.844156
110 N01 0.483051 0.878378
111 UPA 0.482143 0.881579
112 AFH 0.481481 0.858974
113 G5P 0.481481 0.894737
114 3UK 0.480392 0.891892
115 ADP VO4 0.479592 0.90411
116 VO4 ADP 0.479592 0.90411
117 ANP MG 0.479592 0.868421
118 GAP 0.479167 0.866667
119 SON 0.478261 0.905405
120 UP5 0.477477 0.893333
121 128 0.477477 0.795181
122 NAI 0.477477 0.881579
123 NAX 0.477477 0.848101
124 9SN 0.47619 0.846154
125 WAQ 0.475728 0.857143
126 LAD 0.475728 0.835443
127 PR8 0.475728 0.825
128 6AD 0.474227 0.883117
129 ITT 0.473118 0.915493
130 G3A 0.472222 0.894737
131 NB8 0.471154 0.87013
132 ME8 0.471154 0.814815
133 TXA 0.471154 0.905405
134 AP0 0.469027 0.87013
135 48N 0.468468 0.87013
136 7D7 0.468354 0.739726
137 NDO 0.467213 0.891892
138 ETB 0.466667 0.809524
139 DCA 0.466667 0.8
140 APU 0.464912 0.893333
141 TXD 0.464286 0.881579
142 6V0 0.464286 0.87013
143 GTA 0.463636 0.860759
144 A A 0.461538 0.916667
145 101 0.460674 0.876712
146 TXE 0.460177 0.881579
147 0T1 0.459016 0.8
148 COA 0.459016 0.8
149 ATP A A A 0.457944 0.902778
150 YAP 0.457944 0.868421
151 FA5 0.457944 0.88
152 139 0.456897 0.848101
153 4TC 0.45614 0.87013
154 D5M 0.455556 0.902778
155 DA 0.455556 0.902778
156 GGZ 0.455446 0.846154
157 DAL AMP 0.455446 0.878378
158 XAH 0.453704 0.814815
159 A4P 0.452174 0.819277
160 A A A 0.451923 0.878378
161 5AS 0.451613 0.755814
162 DND 0.451327 0.905405
163 NXX 0.451327 0.905405
164 5N5 0.451219 0.791667
165 PUA 0.45082 0.883117
166 4UV 0.449541 0.868421
167 COS 0.448 0.781609
168 30N 0.448 0.731183
169 AMX 0.448 0.809524
170 CAO 0.448 0.772727
171 7DD 0.446809 0.957143
172 LAQ 0.446429 0.814815
173 A4D 0.445783 0.791667
174 5CD 0.445783 0.777778
175 COD 0.445378 0.788235
176 ADJ 0.444444 0.82716
177 CMX 0.444444 0.8
178 T5A 0.444444 0.817073
179 SCO 0.444444 0.8
180 CA6 0.44186 0.708333
181 4UU 0.441441 0.868421
182 FCX 0.440945 0.772727
183 ACO 0.440945 0.772727
184 FAM 0.440945 0.781609
185 A3G 0.43956 0.773333
186 AOC 0.43956 0.794521
187 APX 0.439252 0.881579
188 MYR AMP 0.439252 0.792683
189 4UW 0.438596 0.835443
190 NMX 0.438462 0.73913
191 2VA 0.4375 0.773333
192 HAX 0.4375 0.781609
193 TYM 0.434783 0.88
194 3KK 0.434109 0.781609
195 FYN 0.434109 0.8
196 NAD 0.433333 0.90411
197 IVC 0.431818 0.790698
198 COK 0.430769 0.781609
199 MCD 0.430769 0.781609
200 OXK 0.430769 0.781609
201 SOP 0.430769 0.781609
202 EP4 0.430233 0.727273
203 JB6 0.429907 0.857143
204 YLP 0.429825 0.795181
205 6RE 0.428571 0.734177
206 CNA 0.428571 0.905405
207 CO6 0.427481 0.781609
208 1VU 0.427481 0.772727
209 CMC 0.427481 0.781609
210 A U 0.42735 0.844156
211 TYR AMP 0.427273 0.855263
212 A3D 0.42623 0.891892
213 TM1 0.425926 0.792683
214 MC4 0.425373 0.73913
215 DTA 0.425287 0.76
216 M2T 0.425287 0.708861
217 J7V 0.425197 0.809524
218 SO8 0.424242 0.763158
219 2MC 0.424242 0.747253
220 CAJ 0.424242 0.781609
221 VRT 0.424242 0.74359
222 SCD 0.424242 0.8
223 G5A 0.424242 0.755814
224 5X8 0.42268 0.736842
225 ALF ADP 3PG 0.422414 0.8125
226 LA8 ALF 3PG 0.422414 0.8125
227 CA8 0.422222 0.708333
228 A1S 0.421053 0.781609
229 MLC 0.421053 0.781609
230 BCO 0.421053 0.781609
231 1HE 0.421053 0.764045
232 3HC 0.421053 0.790698
233 MTA 0.420455 0.746667
234 5AD 0.419753 0.742857
235 AS 0.419355 0.855263
236 YLB 0.418803 0.795181
237 YLC 0.418803 0.814815
238 COO 0.41791 0.781609
239 CAA 0.41791 0.790698
240 MCA 0.41791 0.772727
241 YE1 0.41791 0.790698
242 ACK 0.417582 0.885714
243 ZAS 0.417582 0.74026
244 QQY 0.417582 0.837838
245 103 0.417582 0.835616
246 A3S 0.416667 0.783784
247 Y3J 0.416667 0.722222
248 7MD 0.415929 0.8375
249 2CP 0.414815 0.772727
250 SCA 0.414815 0.781609
251 ZDA 0.414141 0.863014
252 TSB 0.413462 0.795181
253 NAE 0.412698 0.868421
254 IOT 0.411765 0.807229
255 HGG 0.411765 0.781609
256 IRC 0.411765 0.790698
257 A5A 0.411765 0.783133
258 2KQ 0.411765 0.764045
259 BYC 0.411765 0.781609
260 1GZ 0.411765 0.772727
261 3AD 0.411765 0.802817
262 COW 0.411765 0.772727
263 COF 0.411765 0.764045
264 3CP 0.411765 0.781609
265 3DH 0.411111 0.746667
266 EAD 0.410853 0.848101
267 AMP DBH 0.410714 0.866667
268 CO8 0.410072 0.764045
269 S0N 0.410072 0.781609
270 1CZ 0.410072 0.772727
271 BTX 0.409836 0.817073
272 NAQ 0.409449 0.846154
273 BCA 0.408759 0.772727
274 4CA 0.408759 0.772727
275 FAQ 0.408759 0.781609
276 AHZ 0.408696 0.792683
277 NEC 0.408602 0.743243
278 UOQ 0.408451 0.764045
279 NHW 0.408451 0.764045
280 NHM 0.408451 0.764045
281 YLA 0.408333 0.795181
282 A3T 0.408163 0.794521
283 SSA 0.407767 0.776471
284 ST9 0.407143 0.764045
285 62F 0.407143 0.8375
286 DCC 0.407143 0.764045
287 UCC 0.407143 0.764045
288 MYA 0.407143 0.764045
289 MFK 0.407143 0.764045
290 5F9 0.407143 0.764045
291 QQX 0.406593 0.826667
292 ZID 0.40625 0.891892
293 HXC 0.405797 0.764045
294 GRA 0.405797 0.781609
295 LPA AMP 0.405172 0.792683
296 AYB 0.404959 0.785714
297 0ET 0.404255 0.764045
298 J7C 0.404255 0.74359
299 7DT 0.40404 0.957143
300 54H 0.403846 0.764706
301 VMS 0.403846 0.764706
302 52H 0.403846 0.755814
303 ANZ 0.403509 0.820513
304 PAX 0.403101 0.82716
305 TGC 0.402878 0.772727
306 5CA 0.4 0.776471
307 CCQ 0.4 0.747253
308 2NE 0.4 0.764045
309 S4M 0.4 0.643678
310 G3D 0.4 0.905405
311 CIC 0.4 0.781609
312 NVA 2AD 0.4 0.763158
313 53H 0.4 0.755814
314 TAD 0.4 0.858974
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FWN; Ligand: 6PG; Similar sites found: 54
This union binding pocket(no: 1) in the query (biounit: 3fwn.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1O5O U5P 0.01112 0.40741 1.35747
2 1RQH PYR 0.005327 0.44345 1.45833
3 3O01 DXC 0.04279 0.41131 1.62338
4 3UDG TMP 0.004713 0.45617 1.66113
5 2JHP GUN 0.01871 0.4204 1.66667
6 1GZ4 FUM 0.02485 0.40904 1.66667
7 3FLK OXL 0.04662 0.40173 1.92308
8 1M2W MTL 0.01524 0.41431 2.08333
9 4MDB RLT 0.01781 0.40065 2.22222
10 3ROE THM 0.01275 0.41278 2.26415
11 4MRP GSH 0.02145 0.41836 2.29167
12 3HP9 CF1 0.02031 0.40855 2.5
13 3HYW DCQ 0.0307 0.40212 2.55814
14 4LOC OXM 0.00287 0.46371 2.70833
15 5LGA 6VH 0.01534 0.40195 3
16 2PW0 TRC 0.02934 0.40138 3.02267
17 5F74 AMP 0.01794 0.40968 3.06122
18 2QLU ADE 0.01359 0.42071 3.50318
19 5U83 ZN8 0.01636 0.41174 3.77358
20 4UCC ZKW 0.02179 0.4129 3.86266
21 4V3I ASP LEU THR ARG PRO 0.005232 0.4401 3.89105
22 2NNJ 225 0.02008 0.40291 3.9916
23 1AUA BOG 0.01356 0.41594 4.39189
24 1OBD AMP 0.001986 0.45588 4.57516
25 4XCP PLM 0.02747 0.40012 4.70588
26 1E4I NFG 0.007929 0.42448 5.14541
27 4K6B GLU 0.0144 0.4146 5.59006
28 1ID0 ANP 0.005762 0.42095 5.92105
29 1UUY PPI 0.003834 0.42446 5.98802
30 3F8D FAD 0.04911 0.40225 6.50155
31 2FYF PLP 0.01519 0.40899 6.53266
32 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.01371 0.42284 6.69456
33 5V4R MGT 0.004749 0.45746 6.79012
34 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.02492 0.40761 6.95652
35 5LX9 OLB 0.007945 0.41036 7.16612
36 4L2I NAD 0.01786 0.40844 7.22543
37 4F4S EFO 0.02017 0.40706 7.89474
38 2B6N ALA PRO THR 0.009943 0.42334 7.91367
39 4LH7 1X8 0.01642 0.40801 8.35913
40 2GN2 C5P 0.01111 0.43005 9.35672
41 1Q1Y BB2 0.01315 0.40021 9.42408
42 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.01207 0.43432 9.86395
43 5IDB BMA 0.0157 0.41419 10.5634
44 5IDB MAN 0.0157 0.41419 10.5634
45 2ALG DAO 0.02458 0.40507 10.8696
46 4D3S BOG 0.004102 0.43735 10.9215
47 2VWA PTY 0.01434 0.40163 14.8515
48 1RZX ACE VAL LYS GLU SER LEU VAL 0.01884 0.41045 16.3265
49 4V2O CLQ 0.0112 0.41561 17.0732
50 5FQ0 FLC 0.01135 0.4199 18.4211
51 4UMA GZ3 0.01759 0.40173 18.5185
52 1MID LAP 0.008848 0.41628 28.5714
53 1VPD TLA 0.0000004477 0.66457 30.1003
54 5U5G 7VD 0.000002359 0.4742 35.5932
Pocket No.: 2; Query (leader) PDB : 3FWN; Ligand: ATR; Similar sites found: 253
This union binding pocket(no: 2) in the query (biounit: 3fwn.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3C7A NAD 0.0143 0.41999 1.25
2 1RQH PYR 0.01121 0.44345 1.45833
3 3OND ADN 0.001534 0.42217 1.45833
4 5KMS NAD 0.003979 0.41364 1.48148
5 3UDG TMP 0.00905 0.45617 1.66113
6 1QMG APX 0.006092 0.41089 1.66667
7 1GZ4 FUM 0.04731 0.40904 1.66667
8 1LUA NAP 0.01179 0.40417 1.74216
9 5M67 NAD 0.0007527 0.4348 1.87891
10 5M67 ADE 0.0008012 0.43377 1.87891
11 5M67 3D1 0.000924 0.43143 1.87891
12 1UXG NAD 0.0004186 0.41406 1.94175
13 3S5W FAD 0.004131 0.40192 1.94384
14 5FI3 NAP 0.00178 0.41595 1.96078
15 4FN4 NAD 0.001695 0.41677 1.9685
16 1O6Z NAD 0.003329 0.41905 1.9802
17 1LJ8 NAD 0.002527 0.43039 2.08333
18 1VJT NAD 0.005411 0.42239 2.08333
19 1M2W MTL 0.03167 0.41431 2.08333
20 1M2W NAD 0.0051 0.41418 2.08333
21 2BH9 NAP 0.01347 0.41405 2.08333
22 1F8G NAD 0.009759 0.40493 2.08333
23 3IHG FAD 0.004571 0.40267 2.08333
24 1V59 NAD 0.001235 0.47326 2.09205
25 4E5N NAD 0.00257 0.40732 2.12121
26 4D42 NAP 0.006293 0.40061 2.12766
27 4D42 W0I 0.006293 0.40061 2.12766
28 1P0F NAP 0.002034 0.40866 2.14477
29 1OMO NAD 0.0001783 0.47212 2.17391
30 4MDB RLT 0.03525 0.40065 2.22222
31 1SC6 NAD 0.0003072 0.43914 2.22772
32 1X14 NAD 0.004254 0.43423 2.24439
33 3ROE THM 0.02782 0.41278 2.26415
34 5U8U FAD 0.001931 0.43017 2.29167
35 4MRP GSH 0.0376 0.41956 2.29167
36 1Q9I TEO 0.005138 0.4086 2.29167
37 3GD4 NAD 0.01065 0.40054 2.29167
38 1MV8 NAD 0.00000258 0.53871 2.29358
39 1MUU NAD 0.000008716 0.52202 2.29358
40 4XQC NAD 0.000355 0.4001 2.31579
41 1I0Z NAI 0.001336 0.42073 2.4024
42 1X87 NAD 0.001601 0.43559 2.5
43 4EDF UPG 0.00008382 0.40699 2.5
44 5BSH PRO 0.001865 0.40001 2.52708
45 1PL6 NAD 0.0003326 0.47262 2.52809
46 1PL6 572 0.0003516 0.43696 2.52809
47 4MP8 NAD 0.0003026 0.42105 2.65487
48 2JHF NAD 0.003418 0.44597 2.6738
49 1U3U BNF 0.0001934 0.40846 2.6738
50 1U3U NAD 0.0001934 0.40846 2.6738
51 4GKV NAD 0.0002907 0.4343 2.67857
52 1DXY NAD 0.00102 0.43406 2.7027
53 4LOC OXM 0.006076 0.46371 2.70833
54 1O0S NAI 0.007518 0.40699 2.70833
55 1DLJ UGA 0.000002191 0.44193 2.73632
56 1DLJ NAI 0.000006284 0.42983 2.73632
57 5LD5 NAD 0.005236 0.41369 2.7933
58 4DMG SAM 0.02552 0.4073 2.79898
59 1M0U GSH 0.03936 0.40956 2.81124
60 2DT5 NAD 0.0001266 0.46338 2.8436
61 4IF4 BEF 0.02007 0.42204 2.88462
62 3VPH OXM 0.0007624 0.41487 2.90323
63 3VPH NAD 0.001738 0.40874 2.90323
64 3ICS ADP 0.001074 0.47629 2.91667
65 3ICT ADP 0.00147 0.46947 2.91667
66 1DJN ADP 0.004234 0.41762 2.91667
67 4BVA T3 0.0003558 0.43629 2.98507
68 4BVA NDP 0.000227 0.42829 2.98507
69 5EW0 3C7 0.04086 0.40773 2.99145
70 1J49 NAD 0.002026 0.41645 3.003
71 5F74 AMP 0.04867 0.40356 3.06122
72 1YS4 NAP 0.001427 0.44114 3.10734
73 2WR9 MAN MAN 0.04198 0.40753 3.125
74 4JJF FE9 0.002571 0.4151 3.19767
75 4JJF N2I 0.002726 0.40885 3.19767
76 3ITJ CIT 0.005551 0.44806 3.25444
77 3WBF NAP 0.002013 0.41656 3.27869
78 3WBF API 0.001081 0.41628 3.27869
79 4XB2 HSE 0.001498 0.40355 3.33333
80 4RQU NAD 0.0002715 0.45047 3.46667
81 1ZQ9 SAM 0.008645 0.41641 3.50877
82 3WLE NAD 0.0003428 0.42315 3.51906
83 2CDU ADP 0.0004598 0.47949 3.53982
84 3WQQ IB3 0.002853 0.40632 3.54167
85 3V1Y NAD 0.004779 0.40701 3.56083
86 2GLX NDP 0.006432 0.40708 3.61446
87 1PZG A3D 0.001434 0.40008 3.62538
88 1B8U NAD 0.01327 0.40189 3.64742
89 5O4J SAH 0.001854 0.40534 3.64964
90 5O4J 9KH 0.001854 0.40534 3.64964
91 5O4J PJL 0.001572 0.40486 3.64964
92 1BW9 NAD 0.0005954 0.45757 3.65169
93 1C1X NAD 0.0005057 0.44635 3.66197
94 3GFB NAD 0.002125 0.41838 3.71429
95 4K28 NAD 0.000322 0.45776 3.71747
96 2DFV NAD 0.001369 0.42595 3.7464
97 3R75 BEZ 0.03355 0.41242 3.75
98 1D1T NAD 0.0001822 0.44756 3.75335
99 5U83 ZN8 0.03181 0.41368 3.77358
100 4UCC ZKW 0.04177 0.4129 3.86266
101 5AYV KPL 0.00003837 0.46744 3.8835
102 5AYV NAP 0.00007584 0.417 3.8835
103 4V3I ASP LEU THR ARG PRO 0.008656 0.44697 3.89105
104 3KB6 NAD 0.002159 0.4181 3.89222
105 3CIF G3H 0.00264 0.40101 3.89972
106 4KP7 NAP 0.002981 0.41125 3.98126
107 2NNJ 225 0.04263 0.40291 3.9916
108 1F8F NAD 0.0005865 0.44708 4.04313
109 2WD7 VGD 0.04684 0.41163 4.10448
110 4XDY NAI 0.001487 0.42747 4.14201
111 4DPL NAP 0.004206 0.40162 4.16667
112 4JK3 NAD 0.0001273 0.47049 4.2471
113 4J4H NAI 0.003143 0.45297 4.2471
114 4J4H 1J1 0.0003006 0.44792 4.2471
115 1AUA BOG 0.02748 0.41715 4.39189
116 5VN0 NAI 0.002907 0.41572 4.44015
117 1HYE NAP 0.007592 0.40681 4.47284
118 1DSS NAD 0.002668 0.42009 4.5045
119 9LDB NAD 0.0008044 0.42636 4.51807
120 9LDT NAD 0.0009095 0.40746 4.51807
121 1E3I CXF 0.0004108 0.42067 4.52128
122 1X7D NAD 0.001308 0.42386 4.57143
123 1X7D ORN 0.0007597 0.40768 4.57143
124 1OBD AMP 0.004063 0.45588 4.57516
125 1A5Z NAD 0.0003682 0.46661 4.70219
126 1ZMD NAI 0.002493 0.42429 4.85232
127 1LDM NAD 0.0006139 0.43368 4.86322
128 2AG8 NAP 0.0004248 0.46793 4.94297
129 3ULK NDP 0.002734 0.42891 5
130 1MO9 KPC 0.005064 0.42134 5
131 1MO9 FAD 0.005846 0.41827 5
132 5MBX SP5 0.003006 0.41609 5
133 5MBX FAD 0.003006 0.41609 5
134 1LDN NAD 0.001057 0.40553 5.06329
135 3O5X JZG 0.0343 0.40079 5.07246
136 3OFK SAH 0.01196 0.41314 5.09259
137 1E5Q NDP 0.0004645 0.44139 5.11111
138 1J5P NAD 0.003425 0.41016 5.13834
139 5H81 NAP 0.0006098 0.45712 5.14139
140 4TSK NDP 0.002942 0.41551 5.14286
141 2Q0L NAP 0.0137 0.4137 5.14469
142 1LLU NAD 0.0006466 0.42181 5.26316
143 4E13 NAD 0.0003977 0.46919 5.30035
144 2NVK NAP 0.0009705 0.49543 5.41667
145 1OBB NAD 0.007132 0.40521 5.41667
146 1NVM NAD 0.002273 0.40448 5.44872
147 2YVJ NAI 0.00377 0.43299 5.50459
148 4K6B GLU 0.0306 0.4146 5.59006
149 3CGD FAD 0.008113 0.41197 5.625
150 3CGD COA 0.008113 0.41197 5.625
151 1EZ4 NAD 0.0006695 0.4008 5.66038
152 1YQD NAP 0.0009595 0.41817 5.7377
153 1SOW NAD 0.002563 0.40493 5.79268
154 1GV0 NAD 0.0009578 0.42627 5.80645
155 3ABI NAD 0.0001656 0.45549 5.83333
156 1KYQ NAD 0.001511 0.45529 5.83942
157 3VYW SAM 0.009264 0.40882 5.84416
158 2NU8 COA 0.001824 0.42388 5.90278
159 2A92 NAI 0.003379 0.40047 5.919
160 1ID0 ANP 0.0133 0.42157 5.92105
161 1UUY PPI 0.00722 0.42446 5.98802
162 1VI2 NAD 0.00361 0.42367 6
163 3JV7 NAD 0.003015 0.40717 6.08696
164 2HJR APR 0.001329 0.43902 6.09756
165 1R6N 434 0.04179 0.40974 6.16114
166 3NJ4 AFX 0.00585 0.43151 6.2069
167 3NJ4 NAD 0.006209 0.43042 6.2069
168 1NPD NAD 0.003069 0.42052 6.25
169 3OJO NAD 0.00001571 0.52091 6.2645
170 2VYN NAD 0.004017 0.40485 6.28743
171 2WPF WPF 0.009399 0.41709 6.45833
172 2WPF FAD 0.01149 0.41214 6.45833
173 1ZH8 NAP 0.0007537 0.40047 6.47059
174 2FYF PLP 0.03279 0.40899 6.53266
175 3H9E NAD 0.005093 0.40589 6.6474
176 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.024 0.42633 6.69456
177 5GZ6 NDP 0.001169 0.44853 6.74847
178 5GZ6 7C3 0.001096 0.44258 6.74847
179 1GUZ NAD 0.0006889 0.40641 6.77419
180 5V4R MGT 0.009822 0.45746 6.79012
181 4KQW NAP 0.001261 0.41137 6.85714
182 4KOA NDP 0.005933 0.42745 6.90691
183 3BAZ NAP 0.004282 0.41165 6.90691
184 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.04936 0.40761 6.95652
185 5T9E NAP 0.00003986 0.43873 7.01107
186 2G5C NAD 0.001201 0.42251 7.11744
187 3H8V ATP 0.0001675 0.49504 7.19178
188 4O0L NDP 0.003265 0.4034 7.27273
189 1NYT NAP 0.0001605 0.47015 7.38007
190 5T9F TYR 0.00004265 0.46864 7.38007
191 5T9F NAP 0.00007218 0.45893 7.38007
192 1Y8Q ATP 0.007403 0.40453 7.51445
193 1V6A TRE 0.00005222 0.56797 7.53012
194 2AHR NAP 0.002727 0.40635 7.72201
195 1HYH NAD 0.0005959 0.43127 7.76699
196 1LTH NAD 0.0006373 0.44903 7.83699
197 4GLW 0XT 0.03818 0.40547 7.86885
198 4F4S EFO 0.04203 0.40706 7.89474
199 2OOR NAD 0.008595 0.40733 8.33333
200 4LH7 1X8 0.03264 0.40801 8.35913
201 1YJQ NAP 0.0001636 0.44625 8.58086
202 2HK9 ATR 0.00001102 0.5832 8.72727
203 2HK9 NAP 0.0004267 0.44932 8.72727
204 3GGO ENO 0.0002885 0.44318 8.9172
205 3GGO NAI 0.0002885 0.40959 8.9172
206 1P77 ATR 0.000004065 0.62313 9.19118
207 5N53 8NB 0.01241 0.43718 9.23077
208 5UAV NDP 0.0005001 0.42842 9.31677
209 5UAV TFB 0.0005001 0.42842 9.31677
210 2GN2 C5P 0.02205 0.43005 9.35672
211 1F06 2NP 0.0009018 0.41661 9.375
212 1F06 NDP 0.0009018 0.41661 9.375
213 1Q1Y BB2 0.02819 0.40175 9.42408
214 4D3F NAP 0.000001944 0.46228 9.67742
215 1WDK NAD 0.0004033 0.46103 9.74359
216 1H2B NAJ 0.001546 0.41059 9.7493
217 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.02387 0.43432 9.86395
218 2EV9 NAP 0.0005028 0.4196 9.88593
219 2EV9 SKM 0.0005028 0.4196 9.88593
220 5VKT NAP 0.0005162 0.41312 9.94475
221 1WPQ NAD 0.00517 0.41392 10.3152
222 4RDH AMP 0.0005601 0.48019 10.4167
223 5IDB BMA 0.02773 0.41596 10.5634
224 5IDB MAN 0.02773 0.41596 10.5634
225 5X20 NAD 0.0001589 0.41556 10.5769
226 1Z82 NDP 0.0007981 0.43524 10.7463
227 2ALG DAO 0.04966 0.40507 10.8696
228 4D3S BOG 0.009533 0.43735 10.9215
229 2PV7 NAD 0.001169 0.42867 11.0738
230 2HMT NAI 0.0003101 0.46984 11.1111
231 4DCM SAM 0.01338 0.41419 11.7333
232 1O94 ADP 0.005422 0.41019 11.7424
233 2VHW NAI 0.001948 0.40698 12.4668
234 4YCA NDP 0.00008578 0.47739 13.2653
235 5CAE COA 0.003339 0.41899 14.4304
236 2VWA PTY 0.0275 0.40163 14.8515
237 1JAY NAP 0.0009621 0.44855 16.0377
238 1CDO NAD 0.0001571 0.4668 16.3102
239 1LSS NAD 0.0001266 0.49111 16.4286
240 4V2O CLQ 0.02348 0.41669 17.0732
241 2F1K NAP 0.0001314 0.46993 17.2043
242 5FQ0 FLC 0.02151 0.4213 18.4211
243 4UMA GZ3 0.03765 0.40215 18.5185
244 3B1F NAD 0.00009026 0.49303 19.3103
245 5JE8 NAD 0.000003595 0.53779 22.1854
246 5E8J SAH 0.03007 0.40036 22.7273
247 3Q3C NAD 0.00003565 0.50128 25.4181
248 1MID LAP 0.01864 0.41797 28.5714
249 2CVZ NDP 0.000001059 0.55428 29.7578
250 1VPD TLA 0.000001452 0.66457 30.1003
251 1WP4 NDP 0.0000002927 0.57134 30.7958
252 5U5G NAP 0.0000003347 0.51743 35.5932
253 4II2 ATP 0.003148 0.42955 46.988
Pocket No.: 3; Query (leader) PDB : 3FWN; Ligand: 6PG; 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: 3fwn.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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