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Receptor
PDB id Resolution Class Description Source Keywords
3X02 2.45 Å EC: 2.7.1.149 CRYSTAL STRUCTURE OF PIP4KIIBETA COMPLEX WITH GMP HOMO SAPIENS LIPID KINASE PHOSPHOINOSITIDE SIGNALING TRANSFERASE
Ref.: THE LIPID KINASE PI5P4K BETA IS AN INTRACELLULAR GT FOR METABOLISM AND TUMORIGENESIS MOL.CELL V. 61 187 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5GP A:504;
A:503;
B:501;
A:501;
A:502;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
363.221 C10 H14 N5 O8 P c1nc2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3X01 2.15 Å EC: 2.7.1.149 CRYSTAL STRUCTURE OF PIP4KIIBETA COMPLEX WITH AMP HOMO SAPIENS LIPID KINASE PHOSPHOINOSITIDE SIGNALING TRANSFERASE
Ref.: THE LIPID KINASE PI5P4K BETA IS AN INTRACELLULAR GT FOR METABOLISM AND TUMORIGENESIS MOL.CELL V. 61 187 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3X01 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 3X02 - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
3 3X05 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3X01 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 3X02 - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
3 3X05 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3X01 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 3X02 - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
3 3X05 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5GP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 G 1 1
2 5GP 1 1
3 GDP 0.828947 0.986486
4 GP3 0.815789 0.960526
5 GP2 0.805195 0.948052
6 GTP 0.797468 0.986486
7 GNH 0.794872 0.973333
8 G2P 0.777778 0.948052
9 GMV 0.775 0.960526
10 G1R 0.765432 0.973333
11 GCP 0.765432 0.960526
12 GAV 0.759036 0.948052
13 GSP 0.756098 0.935897
14 GNP 0.756098 0.960526
15 9GM 0.756098 0.960526
16 ALF 5GP 0.753086 0.9
17 GMP 0.732394 0.866667
18 GPG 0.724138 0.948052
19 G2R 0.712644 0.948052
20 ALF GDP 0.701149 0.9
21 GDP ALF 0.701149 0.9
22 GDP AF3 0.701149 0.9
23 GKE 0.692308 0.948052
24 Y9Z 0.692308 0.890244
25 GDC 0.692308 0.948052
26 GDD 0.692308 0.948052
27 YGP 0.681319 0.9125
28 G3A 0.677419 0.960526
29 G5P 0.670213 0.960526
30 GFB 0.666667 0.948052
31 GDR 0.666667 0.948052
32 GTG 0.666667 0.924051
33 6CK 0.659574 0.924051
34 3GP 0.65 0.959459
35 G G 0.648936 0.960526
36 GKD 0.645833 0.948052
37 JB2 0.645833 0.948052
38 GDX 0.639175 0.960526
39 GPD 0.639175 0.9125
40 GDP 7MG 0.635417 0.923077
41 G3D 0.617977 0.972973
42 U2G 0.617647 0.924051
43 2GP 0.609756 0.946667
44 IMP 0.609756 0.972603
45 JB3 0.607843 0.935897
46 CG2 0.605769 0.924051
47 G4P 0.604396 0.972973
48 DGP 0.60241 0.922078
49 DG 0.60241 0.922078
50 FEG 0.601942 0.890244
51 NGD 0.601942 0.948052
52 ZGP 0.596154 0.879518
53 0O2 0.595745 0.972973
54 2MD 0.584906 0.879518
55 G7M 0.583333 0.960526
56 CAG 0.583333 0.869048
57 G A A A 0.579439 0.935065
58 A G 0.579439 0.947368
59 U A G G 0.574074 0.947368
60 MGD 0.568807 0.879518
61 DBG 0.566372 0.935897
62 PGD 0.5625 0.9125
63 MD1 0.5625 0.879518
64 P2G 0.55814 0.894737
65 GCP G 0.556701 0.933333
66 FE9 0.553571 0.784946
67 P1G 0.545455 0.883117
68 GH3 0.542553 0.96
69 TPG 0.53913 0.829545
70 GPX 0.53125 0.933333
71 DGI 0.527473 0.910256
72 G1R G1R 0.525862 0.911392
73 G U 0.522936 0.911392
74 PGD O 0.521368 0.83908
75 DGT 0.521277 0.910256
76 G4M 0.520325 0.869048
77 AKW 0.513761 0.878049
78 G C 0.513514 0.911392
79 93A 0.511364 0.821429
80 IDP 0.505495 0.959459
81 MGQ 0.505155 0.948052
82 C2R 0.5 0.893333
83 A 0.5 0.905405
84 AMZ 0.5 0.905405
85 BGO 0.5 0.911392
86 AMP 0.5 0.905405
87 AIR 0.493671 0.890411
88 MGV 0.49 0.901235
89 SGP 0.488889 0.8375
90 NIA 0.488095 0.8375
91 GPC 0.474138 0.890244
92 G G G RPC 0.473684 0.886076
93 GGM 0.473684 0.888889
94 71V 0.47191 0.85
95 APC G U 0.470085 0.897436
96 R5I 0.46875 0.933333
97 R7I 0.46875 0.933333
98 MGP 0.46875 0.948052
99 35G 0.468085 0.945946
100 PCG 0.468085 0.945946
101 C2E 0.468085 0.933333
102 G1G 0.466102 0.9125
103 AAM 0.465909 0.905405
104 RMB 0.465909 0.813333
105 FAI 0.465909 0.905405
106 7RA 0.465909 0.918919
107 1RB 0.465116 0.824324
108 6G0 0.463918 0.948052
109 5GP 5GP 0.463158 0.894737
110 G G G C 0.462185 0.924051
111 RBZ 0.45977 0.815789
112 UCG 0.459016 0.923077
113 A G C C 0.458333 0.923077
114 DG DG 0.456311 0.876543
115 G U34 0.45614 0.9
116 IMO 0.449438 0.866667
117 A G U 0.446154 0.9
118 G C C C 0.443548 0.935897
119 IRN 0.443038 0.808219
120 PMO 0.43956 0.792208
121 7RP 0.438202 0.864865
122 GTA 0.436364 0.924051
123 JLN 0.433333 0.88
124 P2P 0.433333 0.842105
125 A G U U 0.42963 0.9
126 XMP 0.428571 0.907895
127 PGS 0.425532 0.804878
128 RVP 0.423529 0.84
129 G2Q 0.423077 0.948052
130 ADP 0.419355 0.906667
131 ABM 0.417582 0.857143
132 A2D 0.417582 0.881579
133 PRT 0.416667 0.945946
134 GUO 0.415842 0.932432
135 AT4 0.414894 0.871795
136 CA0 0.410526 0.883117
137 2SA 0.41 0.871795
138 1YD 0.409091 0.933333
139 4BW 0.409091 0.933333
140 A12 0.408602 0.871795
141 AP2 0.408602 0.871795
142 BA3 0.408602 0.881579
143 6C6 0.408163 0.825
144 25A 0.407767 0.906667
145 NOS 0.406977 0.813333
146 HEJ 0.40625 0.906667
147 ATP 0.40625 0.906667
148 AP5 0.404255 0.881579
149 B4P 0.404255 0.881579
150 ACQ 0.40404 0.883117
151 6IA 0.40404 0.785714
152 ANP 0.40404 0.883117
153 CGP 0.403361 0.878049
154 APC 0.402062 0.871795
155 3ZE 0.402062 0.871795
156 5FA 0.402062 0.906667
157 AQP 0.402062 0.906667
158 N6P 0.4 0.853333
159 AN2 0.4 0.894737
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3X01; Ligand: AMP; Similar sites found with APoc: 729
This union binding pocket(no: 1) in the query (biounit: 3x01.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1O44 852 None
2 5SVV FMN None
3 3FSY SCA 0.903614
4 5IBE 69M 1.01781
5 5XNC MTA 1.07817
6 6FYL 3NG 1.10193
7 2YRX AMP 1.10865
8 5OVK NDP 1.17188
9 4L3L 5FI 1.31579
10 4WUJ FMN 1.36054
11 3DNT ATP 1.36364
12 4E1Z 0MX 1.37457
13 3BZ3 YAM 1.44928
14 3E8N VRA 1.46628
15 3E8N ATP 1.46628
16 1CKM GTP 1.51515
17 2NP9 YE1 1.52672
18 2J4D FAD 1.52672
19 5WS9 AMP 1.52672
20 3LXN MI1 1.57233
21 1GSA ADP 1.58228
22 4OCJ NDG 1.58311
23 1Q8Y ADE 1.60858
24 1Q8Y ADP 1.60858
25 4R78 AMP 1.61812
26 3BU5 ATP 1.63399
27 1IR3 ANP 1.63399
28 4GJ3 0XP 1.65563
29 1ZX5 LFR 1.66667
30 1K3A ACP 1.67224
31 3PLS ANP 1.67785
32 2ZL7 FUC GAL NGA 1.69492
33 4IX4 ADP 1.71429
34 3MVH WFE 1.75439
35 3V8S 0HD 1.78117
36 5Y86 HRM 1.78117
37 4U98 ACP 1.78117
38 5VZ0 ADP 1.78117
39 3GC8 B45 1.78117
40 3HZT J60 1.78117
41 4IJP 1EH 1.78117
42 5IM3 DTP 1.78117
43 5NMX NAP 1.78117
44 5ERR ADP 1.78117
45 3RUV ANP 1.78117
46 3TYZ PAB 1.78117
47 3TYZ XHP 1.78117
48 6FDF SAH 1.79641
49 5HCY 60D 1.81269
50 4PLT OXM 1.81269
51 4PLT NAI 1.81269
52 3TKI S25 1.85759
53 2HY0 306 1.86335
54 3SXS PP2 1.86567
55 5C4L 4XR 1.86916
56 5C4L SIS 1.86916
57 6GZD LCI 1.87166
58 3TKY SAH 1.90217
59 1DUB CAA 1.91571
60 1KYZ SAH 1.91781
61 5C1P DAL DAL 1.96078
62 5C1P ADP 1.96078
63 5MJA 7O3 1.96721
64 4EWN 0VR 1.97628
65 4A6D SAM 1.983
66 4MYD 164 1.98413
67 4PNE SAH 1.98676
68 3P3G 3P3 2
69 3P3G UKW 2
70 3ZS7 ATP 2
71 1PHK ATP 2.01342
72 2Q7D ANP 2.02312
73 5X8I SQZ 2.02312
74 4Y93 746 2.03562
75 6C1S EFV 2.03562
76 4DC2 ADE 2.03562
77 4ASE AV9 2.03562
78 3TPV ADE 2.03562
79 1G0N NDP 2.03562
80 1G0N PHH 2.03562
81 6GBC AMP 2.03562
82 4DHY S41 2.03562
83 4KS7 X4Z 2.05479
84 2Y6O 1N1 2.06186
85 6G33 5ID 2.0649
86 6BXI ANP 2.1021
87 5KO1 6UY 2.12014
88 4G17 0VN 2.12121
89 4NZN ANP 2.12121
90 4NZN 2OU 2.12121
91 1EHI ADP 2.12202
92 3GC0 AMP 2.12766
93 4N70 2HX 2.13415
94 3KV8 FAH 2.15827
95 3SRV S19 2.16606
96 5UIU 8CG 2.16718
97 1CM8 ANP 2.17984
98 1TZD ADP 2.18182
99 1JA9 NDP 2.18978
100 4EUU BX7 2.19436
101 4F4P 0SB 2.1978
102 4LOO SB4 2.21607
103 5DH3 5BS 2.22222
104 3CIF G3H 2.22841
105 2X2M X2M 2.2293
106 3CY2 MB9 2.2293
107 6G34 5ID 2.2409
108 4OUC 5ID 2.2409
109 3RWP ABQ 2.2508
110 5LVP ATP 2.2508
111 4QMN DB8 2.25806
112 5LI1 ANP 2.25989
113 1I7L ATP 2.26537
114 3TXO 07U 2.26629
115 2PUL ACP 2.267
116 4ZS4 ATP 2.28013
117 3EKK GS2 2.28013
118 3NW7 LGV 2.28013
119 4OUJ LBT 2.28013
120 5LI9 ACP 2.28571
121 4PNI KQQ 2.29008
122 4O1P ANP 2.29008
123 5TT5 NAD 2.29008
124 5XWV NDP 2.29008
125 5XWV 8H6 2.29008
126 4UWH JXM 2.29008
127 5TT6 ATP 2.29008
128 3IQE F42 2.29008
129 3IQE H4M 2.29008
130 3RSC TYD 2.29008
131 5X2Z 3LM 2.29008
132 6D6Y SAH 2.29008
133 5EPO NAP 2.29008
134 3IAA TYD 2.29008
135 3OU2 SAH 2.29358
136 4GLW 0XT 2.29508
137 1YXM ADE 2.31023
138 6GIN IR2 2.32558
139 1G55 SAH 2.33236
140 4ZDC CO8 2.33333
141 3M2W L8I 2.34114
142 5JZJ AN2 2.3569
143 6F3G CJN 2.37288
144 5XVG 8FX 2.38908
145 4KBA 1QM 2.41692
146 5W4W 9WG 2.41692
147 3UIM ANP 2.45399
148 3AKK ADP 2.46154
149 3UP3 XCA 2.46914
150 2IF8 ADP 2.47934
151 4DFU QUE 2.48447
152 2R7K ACP 2.49307
153 2R7K AMZ 2.49307
154 4XBA GMP 2.5
155 4XBA 5GP 2.5
156 5JLB SAH 2.50896
157 4FMU 0UM 2.51799
158 2GQR ADP 2.53165
159 2GQS ADP 2.53165
160 5U6C 7YS 2.53968
161 4MV1 ADP 2.54453
162 5TDF ADP 2.54453
163 5N87 N66 2.54453
164 4OAV ACP 2.54453
165 6EZ6 C5Z 2.54453
166 3KLL MAL 2.54453
167 3LL9 ADP 2.54453
168 1QHO ABD 2.54453
169 5TE1 7A2 2.54453
170 5Y0T TAT 2.54453
171 5TDF 7A3 2.54453
172 1JS3 PLP 142 2.54453
173 3PDT ADP 2.54545
174 5OKT 9XK 2.54777
175 4WB6 ATP 2.57143
176 1RE8 BD2 2.57143
177 5GZ9 ANP 2.62295
178 4USF 6UI 2.63158
179 4RFM 3P6 2.63158
180 5WO4 B7V 2.64901
181 3ORQ ADP 2.65252
182 5GXU FAD 2.65625
183 2R3A SAM 2.66667
184 2R5T ANP 2.68097
185 3WDM ADN 2.68199
186 2XMY CDK 2.68456
187 2CSN CKI 2.6936
188 4MDH NAD 2.69461
189 6AC9 ANP 2.7027
190 3RE4 TO1 2.71318
191 1ZP9 ATP 2.71318
192 1ZTH ADP 2.71318
193 4ZGP ADP 2.73038
194 6A1G 9OL 2.77778
195 2V58 LZJ 2.79898
196 3WO0 ADP 2.79898
197 3WO0 ALA 2.79898
198 4TM3 FAD 2.79898
199 1OPK P16 2.79898
200 2RIO ADP 2.79898
201 3K5I AIR 2.79898
202 3K5I ADP 2.79898
203 1E8G FCR 2.79898
204 1E8G FAD 2.79898
205 2Z48 NGA 2.79898
206 5L4L NAP 2.79898
207 4HXY NDP 2.79898
208 4L40 DCR 2.79898
209 2Z49 AMG 2.79898
210 5OLK DTP 2.79898
211 4I42 1HA 2.80702
212 3PN1 IVH 2.83019
213 5ICE 2H4 2.84091
214 2Q4H AMP 2.849
215 5JGA 6KC 2.85714
216 4Y8D 49J 2.85714
217 1U5R ATP 2.87356
218 1T36 ADP 2.87958
219 2OFV 242 2.88809
220 4C5N PXL 2.89855
221 4C5N ACP 2.89855
222 4I4Z 2NE 2.90909
223 1HYH NAD 2.91262
224 1E4E ADP 2.91545
225 1OBD ATP 2.94118
226 5FBN 5WF 2.95203
227 4NFE BEN 2.95359
228 4YZC STU 2.96296
229 3FHR P4O 2.97619
230 4BFM ANP 2.99401
231 4QIJ 1HA 2.99401
232 4Y85 499 3.01205
233 1B8U NAD 3.03951
234 5LNE A2G GAL 3.04878
235 2JLD AG1 3.05344
236 4B63 FAD 3.05344
237 4B63 ORN 3.05344
238 4B63 NAP 3.05344
239 4CFU 2WC 3.05344
240 2GKS ADP 3.05344
241 5VLQ ANP 3.05344
242 5JJR SAH 3.05344
243 3VHE 42Q 3.06407
244 1ZGA SAH 3.08123
245 3H8V ATP 3.08219
246 2AGC MYR 3.08642
247 1GP6 DH2 3.08989
248 1GP6 QUE 3.08989
249 1GP6 SIN 3.08989
250 4V3C C 3.09278
251 3GQI ACP 3.09735
252 4YNM SAM 3.09735
253 6ALW BNV 3.125
254 6ALW BMJ 3.125
255 1V0O INR 3.125
256 1U59 STU 3.13589
257 2F57 23D 3.15457
258 4NM5 ADP 3.18302
259 1XJD STU 3.18841
260 4Y0X ADP 3.2
261 5BSZ SAH 3.2
262 4EN4 ATP 3.20513
263 4EN4 GT0 3.20513
264 4EN4 GT1 3.20513
265 5UR1 YY9 3.21543
266 5OO5 UUA 3.22581
267 5EOU ATP 3.22581
268 3ZRM ZRM 3.2345
269 1XDN ATP 3.2491
270 6FYV 3NG 3.2641
271 5ZCT ANP 3.26797
272 5I35 ANP 3.30789
273 2YW2 ATP 3.30789
274 4CRL C1I 3.30789
275 4OTH DRN 3.30789
276 5AWM ANP 3.30789
277 2QK4 ATP 3.30789
278 4CYI ATP 3.30789
279 4PZ6 GMP 3.30789
280 5MY8 RXZ 3.30789
281 4U44 3D9 3.31325
282 2WKQ FMN 3.31325
283 3E7O 35F 3.33333
284 3V4S ATP 3.35917
285 3V4S ADP 3.35917
286 5GM1 SAH 3.367
287 5CUQ NSC 3.37079
288 4K33 ACP 3.38462
289 3GLC R5P 3.38983
290 1Z2P I3S 3.39506
291 1Z2P ACP 3.39506
292 3LCC SAH 3.40426
293 3TII ANP 3.42105
294 3F7Z 34O 3.42857
295 1O9U ADZ 3.42857
296 5DJU FMN 3.44828
297 4AG8 AXI 3.48101
298 5HVJ ANP 3.49206
299 4FG8 ATP 3.49206
300 5YJF SAH 3.52113
301 5YJF 8WO 3.52113
302 1YQC GLV 3.52941
303 5VCV 1N1 3.53698
304 5JKG 6LF 3.53698
305 5DMZ ADP 3.56164
306 5ZTN CUR 3.56234
307 3VOT ADP 3.56234
308 5FI4 5XV 3.56234
309 5DXT 5H5 3.56234
310 1PK8 ATP 3.56234
311 2QF7 AGS 3.56234
312 2QZS ADP 3.56234
313 2QZS GLC 3.56234
314 2QZS 250 3.56234
315 3H4V DVP 3.56234
316 3H4V NAP 3.56234
317 4LHD GLY 3.56234
318 3PLN U5P 3.56234
319 1E5Q NDP 3.56234
320 5JFS 6K0 3.57143
321 1IA9 ANP 3.57143
322 3L4S 3PG 3.57143
323 3L4S NAD 3.57143
324 6F5U CQN 3.57143
325 5EJ2 NAD 3.57143
326 5OMY 9YE 3.58056
327 3DLS ADP 3.58209
328 4A4X JUP 3.58423
329 6CDG PRO GLY LEU TRP LYS SER 3.59281
330 4CQE CQE 3.59712
331 1N62 MCN 3.61446
332 3SLS ANP 3.61842
333 2VSS ACO 3.62319
334 4O4F ATP 3.62903
335 4O4F IHP 3.62903
336 4CSV STI 3.63636
337 2VSU ACO 3.63636
338 4IDT T28 3.65169
339 6GQM F8H 3.65854
340 3LXK MI1 3.66972
341 4JGP PYR 3.68664
342 5A65 TPP 3.68664
343 2Y88 2ER 3.68852
344 5V22 SAH 3.7037
345 5T8O 76Z 3.72493
346 2XK9 XK9 3.72671
347 2Z7R STU 3.73832
348 1H0H 2MD 3.73832
349 5C03 AGS 3.80117
350 4U0I 0LI 3.80952
351 5CKW ANP 3.81679
352 4WB7 ATP 3.81679
353 2YAB AMP 3.81679
354 2FB3 MET 3.82353
355 2OQ2 A3P 3.83142
356 2V7O DRN 3.86905
357 2UYQ SAM 3.87097
358 3KRL KRL 3.8806
359 6CEP NAD 3.89222
360 6BQC LOP 3.91645
361 1XKQ NDP 3.92857
362 3HY3 10F 3.94089
363 2PVN P63 3.97727
364 5HGR 45D 4
365 5C79 PBU 4
366 4O0L NDP 4
367 4G31 0WH 4.01338
368 3LL5 ADP 4.01606
369 4NW6 2NS 4.02477
370 5TUX ECH 4.02477
371 1AFS NAP 4.02477
372 1FP1 SAH 4.03226
373 5EKO N17 4.04313
374 2AG5 NAD 4.06504
375 3KAL ADP 4.07125
376 4UXL 5P8 4.07125
377 3VRY B43 4.07125
378 5AE9 OKO 4.07125
379 4IZY 1J2 4.07125
380 4XZ3 ACP 4.07125
381 3GGF GVD 4.07125
382 1ON3 MCA 4.07125
383 4UX9 ANP 4.07125
384 5XLX SAH 4.07125
385 4JBI NDP 4.07125
386 2WAT COA 4.09836
387 4WOV 3SM 4.10095
388 5COU ATP 4.11765
389 6GWR FEW 4.12698
390 4LRJ ANP 4.14201
391 2VZ6 FEF 4.15335
392 3PE2 E1B 4.1543
393 4P5Z Q7M 4.15512
394 2BKK ADP 4.16667
395 3VQ2 LP4 LP5 MYR DAO 4.16667
396 3TM0 B31 4.18251
397 3TM0 ANP 4.18251
398 2WQN ADP 4.19355
399 1SG4 CO8 4.23077
400 5DBX ANP 4.26829
401 3VZS NAP 4.28016
402 4GYI ADP 4.28212
403 2XVD AS6 4.30464
404 1M0W ANP 4.3257
405 5EQY 5RA 4.3257
406 4XYM A12 4.3257
407 4ONA UW1 4.3257
408 4UAL 3FV 4.3257
409 3WVR AMP 4.3257
410 4B3J COA 4.3257
411 4X7Q 3YR 4.3257
412 4AT3 LTI 4.34783
413 3AQV TAK 4.34783
414 4EWH T77 4.36364
415 4E70 N7I 4.38144
416 6BFN DL1 4.38596
417 2QCS ANP 4.46735
418 4U0W 16G 4.47154
419 4OCV ANP 4.48549
420 1AUX AGS 4.50161
421 5K6A NAP 4.51389
422 5JDI NAP 4.51389
423 5JCJ NAP 4.51389
424 4CMI NAP 4.51389
425 4CM8 NAP 4.51389
426 5JDC NAP 4.51389
427 4CM9 NAP 4.51389
428 3BMO NAP 4.51389
429 3JQB NAP 4.51389
430 4CM4 NAP 4.51389
431 3JQ7 NAP 4.51389
432 3JQF NAP 4.51389
433 4CME NAP 4.51389
434 3BMN NAP 4.51389
435 4CLR NAP 4.51389
436 3JQG NAP 4.51389
437 4CLO NAP 4.51389
438 3BMQ NAP 4.51389
439 3JQ8 NAP 4.51389
440 3JQA NAP 4.51389
441 2VQD AP2 4.52586
442 4I6H 1C8 4.54545
443 5XDT GDP 4.54545
444 1FP2 SAH 4.54545
445 2PR5 FMN 4.54545
446 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA 4.57143
447 5NKB 8ZT 4.57516
448 3TDV GDP 4.57516
449 5EH0 5NW 4.58015
450 2PZI AXX 4.58015
451 2A14 SAH 4.58015
452 2ZBA ZBA 4.58015
453 3W0O HY0 4.58453
454 3W0O ADP 4.58453
455 5JBX COA 4.5977
456 1TQP ATP 4.60993
457 5TO8 7FM 4.60993
458 4D42 NAP 4.60993
459 4D42 W0I 4.60993
460 1E6W NAD 4.61538
461 5IH1 6BQ 4.63576
462 5IH1 GDP 4.63576
463 5BV3 M7G 4.63768
464 2VN9 GVD 4.65116
465 4BTV RB3 4.65116
466 1LTH NAD 4.70219
467 4BTK DTQ 4.74777
468 2GU8 796 4.74777
469 2PVF ACP 4.79042
470 4XV1 904 4.79452
471 2B9F ADP 4.81586
472 2B9H ADP 4.81586
473 2B9I ADP 4.81586
474 2B9J ADP 4.81586
475 3FGC FMN 4.81928
476 6FL8 ADP 4.83461
477 6FL8 TIY 4.83461
478 3UDZ ADP 4.83461
479 5EFQ ADP 4.83461
480 4FL3 ANP 4.83461
481 4X3R 686 4.83461
482 5TZJ UD1 4.83461
483 1XHL NDP 4.83461
484 3B2Q ATP 4.83461
485 2VZ0 D64 4.85075
486 2VZ0 NAP 4.85075
487 2WD7 NAP 4.85075
488 3ZJ0 ACO 4.85437
489 5AX9 4KT 4.87013
490 3KN5 ANP 4.92308
491 2JDR L20 4.97076
492 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 4.97076
493 4I94 ANP 5
494 2QX0 PH2 5.03145
495 5UI2 EQ3 5.04732
496 5M06 ADP 5.07246
497 4WNK 453 5.08906
498 4F9C 0SX 5.08906
499 3HMO STU 5.08906
500 5I7S E9P 5.08906
501 5I7S NAD 5.08906
502 5WP4 SAH 5.08906
503 3RI1 3RH 5.11182
504 3KO8 NAD 5.12821
505 4NFN 2KC 5.17799
506 5H2U 1N1 5.24345
507 2WU6 DKI 5.24934
508 4YMJ 4EJ 5.26316
509 5XLY C2E 5.26316
510 1H5Q NAP 5.28302
511 2J7T 274 5.29801
512 6CZ3 FLJ 5.30303
513 3VPC ADP 5.31915
514 4QTB 38Z 5.34351
515 1KJ8 GAR 5.34351
516 1KJ8 ATP 5.34351
517 4PU5 ANP 5.34351
518 1NP7 FAD 5.34351
519 2BIF SIN 5.34351
520 1V8B NAD 5.34351
521 5NUE NAD 5.34351
522 3RFA SAM 5.34351
523 3CMC NAD 5.38922
524 4QVX 3CQ 5.38922
525 3OJF NDP 5.44747
526 1MJJ HAL 5.47945
527 4H3Q ANP 5.52486
528 4H3P ANP 5.52486
529 2BS5 BGC GAL FUC 5.55556
530 3IDB ANP 5.59006
531 4XH0 ADP 5.59796
532 4WW7 AMP 5.59796
533 3LKZ SFG 5.60748
534 5L8L ADP 5.61404
535 3AB4 THR 5.61798
536 3C1X CKK 5.63003
537 5YJI 8WO 5.6338
538 5YJI SAH 5.6338
539 3OIG NAD 5.6391
540 5LXM ADP 5.65371
541 4BHN BH9 5.68862
542 3ZLR X0B 5.6962
543 4NST ADP 5.69801
544 3ZW2 NAG GAL FUC 5.74713
545 3ZW2 GLA NAG GAL FUC 5.74713
546 5BVE 4VG 5.81717
547 2GJ3 FAD 5.83333
548 5MW8 ATP 5.85242
549 2PYW ADP 5.85242
550 2IO8 ADP 5.85242
551 5DZT AMP 5.85242
552 3IGO ANP 5.85242
553 2WEI VGG 5.85242
554 3BP1 GUN 5.86207
555 5HES 032 5.86319
556 1IOW PHY 5.88235
557 1IOW ADP 5.88235
558 6D6L FY4 5.88235
559 5YF9 NIO 5.8997
560 5EW9 5VC 5.90406
561 2HK5 1BM 5.92593
562 1ZY5 ANP 5.94059
563 3G5D 1N1 5.94406
564 4CC6 L5Y 5.97484
565 6C7Y ADP 5.98291
566 2DM6 NAP 6.00601
567 2DM6 IMN 6.00601
568 3LZW FAD 6.0241
569 4E93 GUI 6.1008
570 1U3D FAD 6.10687
571 2GJ5 VD3 6.17284
572 2AQX ATP 6.22837
573 4WNP 3RJ 6.27178
574 1BC5 SAH 6.3197
575 1TMM APC 6.32911
576 1TMM HHR 6.32911
577 5Y80 IRE 6.36132
578 2F2U M77 6.36132
579 3VSV XYS 6.36132
580 2BPM 529 6.41509
581 4BCN T9N 6.48855
582 4BCQ TJF 6.48855
583 4BCM T7Z 6.48855
584 5ZAI COA 6.56371
585 5ME4 HP4 6.56934
586 5EOB 5QQ 6.58307
587 5LMK 6ZK 6.58915
588 2VPQ ANP 6.61578
589 2BMB PMM 6.61578
590 3I0O ADP 6.61578
591 2HGS ADP 6.61578
592 4FE2 ADP 6.66667
593 4LH7 1X8 6.81115
594 2EXX NAP 6.86275
595 5IH9 6BF 6.86567
596 4C2C ALA VAL PRO ALA 6.87023
597 1NJJ GET 6.87023
598 3DAK ANP 6.89655
599 4JR7 GNP 6.95187
600 4YZN 4K5 6.96864
601 5LXT ACP 6.99301
602 4AZW ATP 7.12468
603 1Y57 MPZ 7.12468
604 3PVW QRX 7.12468
605 2H8H H8H 7.12468
606 5UKL SIX 7.12468
607 4CS9 AMP 7.12468
608 4AUA 4AU 7.16612
609 5LPZ ADP 7.22892
610 5USZ SKE 7.26644
611 3H9R TAK 7.33945
612 5WNL STU 7.37913
613 5DRB 5FJ 7.37913
614 3LQV ADE 7.37913
615 2O3Z AI7 7.38007
616 3C0G 3AM 7.40741
617 6C0T EE4 7.4928
618 5K2M ADP 7.54717
619 5VC5 96M 7.61246
620 1JPA ANP 7.63359
621 3TTI KBI 7.63359
622 4B7H NDP 7.63359
623 2PT9 S4M 7.63359
624 2XOC ADP 7.66284
625 5A6N U7E 7.77385
626 4M69 ANP 7.77385
627 4WHZ 3NL 7.79221
628 5HPZ 68G 7.82123
629 1XNG ATP 7.83582
630 2OO8 RAJ 7.88804
631 1BYG STU 7.91367
632 4CLI 5P8 7.95107
633 5IGI ZIT 7.97342
634 5IGI GMP 7.97342
635 1RJD SAM 8.08383
636 4AU8 Z3R 8.10811
637 1UPR 4IP 8.13008
638 1GS5 NLG 8.13953
639 1GS5 ANP 8.13953
640 2ZYI STE 8.14249
641 1UNH IXM 8.21918
642 3O0G 3O0 8.21918
643 3PTG 932 8.26446
644 6E8I PTR 8.28402
645 1W2D 4IP 8.30189
646 1W2D ADP 8.30189
647 2PD4 NAD 8.36364
648 2PD4 DCN 8.36364
649 1NBU PH2 8.40336
650 3N1S 5GP 8.40336
651 2Z6D FMN 8.46154
652 6E2O S0L 8.47458
653 2A19 ANP 8.57143
654 2F2H XTG 8.6514
655 3ORK AGS 8.68167
656 3ETH ATP 8.73239
657 2YAK OSV 8.77193
658 5LPB ADP 8.78378
659 6ES0 BW8 8.83281
660 3QWI CUE 9.16031
661 3QWI NAP 9.16031
662 4Q5H ANP 9.21053
663 2RIF AMP 9.21986
664 3OID NDP 9.30233
665 2WEL K88 9.33333
666 3MB5 SAM 9.41177
667 4TWP AXI 9.41476
668 3VPD ANP 9.60854
669 1W4R TTP 9.74359
670 6GR0 F8W 9.77011
671 4DI8 0GZ 9.92366
672 4DI8 0GY 9.92366
673 3GNI ATP 9.97067
674 6CQF F97 10.1781
675 5YK1 ANP 10.1781
676 5Z2L NDP 10.2041
677 2ZWA SAH 10.4326
678 6CGD AKN 10.4918
679 6CGD GNP 10.4918
680 5CEO 50D 10.6667
681 4INI AMP 10.7692
682 3P7N FMN 10.8527
683 5ODT ADP 10.8696
684 5F90 LMR 10.8974
685 5F90 GLA GAL 10.8974
686 3FHI ANP 11.039
687 3FRH SAH 11.0672
688 5G1X ADP 11.1111
689 2CM4 RCL 11.3333
690 5TA6 79D 11.4504
691 3FC2 IBI 11.4504
692 3ALN ANP 11.6208
693 1S68 AMP 11.6466
694 5ETR 5RW 11.8012
695 5ETR APC 11.8012
696 4Z4P SAH 12.0482
697 4NJH SAM 12.1739
698 4NJH 2K8 12.1739
699 5HQ0 LZ9 12.9139
700 6GU6 1QK 12.9139
701 3A4V NAD 12.9338
702 3A4V PYR 12.9338
703 6CMJ F6J 12.9771
704 2ZV2 609 13.2316
705 5QIN J2V 13.2316
706 6GUE FB8 13.245
707 5DEY 59T 13.8047
708 5RHN 8BR 13.913
709 3KMW ATP 13.9535
710 1VJY 460 13.9949
711 3VPB ADP 14.2857
712 4OH4 ANP 14.2857
713 5OES ADP 14.5038
714 3PP0 03Q 15.0888
715 6GAS FAD 15.1057
716 5AVF TAU 15.5642
717 1SQL GUN 15.7534
718 1CBK ROI 16.25
719 5E2N V14 16.3498
720 3Q60 ATP 16.5394
721 3HAV ATP 17.5573
722 3E5A VX6 22.7273
723 5UPK ANP 22.9167
724 5WA9 9ZD 26.3566
725 1AV5 AP2 26.9841
726 5EYK 5U5 33.8983
727 4C2W ANP 38.4615
728 4K38 SAM 38.8889
729 4C2V YJA 45.4545
Pocket No.: 2; Query (leader) PDB : 3X01; Ligand: AMP; Similar sites found with APoc: 503
This union binding pocket(no: 2) in the query (biounit: 3x01.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC None
2 2BOS GLA GAL None
3 1LNX URI None
4 1ECM TSA None
5 1U3R 338 1.24481
6 3OLL EST 1.25
7 2YJD YJD 1.25
8 4ZBR DIF 1.27226
9 4ZBR NPS 1.27226
10 3D9F N6C 1.27226
11 3D9F FAD 1.27226
12 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 1.3245
13 5E7V M7E 1.33333
14 3WCA FPS 1.36986
15 4G86 BNT 1.40845
16 3VRV YSD 1.47601
17 3Q2H QHF 1.52672
18 3NB0 G6P 1.52672
19 3RDE OYP 1.52672
20 2I0G I0G 1.55642
21 1M13 HYF 1.58228
22 3ET1 ET1 1.71821
23 1K7L 544 1.73611
24 3SP6 IL2 1.75439
25 3EWK FAD 1.76211
26 4TMK T5A 1.78117
27 5KD8 TNR 1.78117
28 5WIU AQD 1.78117
29 1RX0 2MC 1.78117
30 1JQI CAA 1.80412
31 3KDU NKS 1.80505
32 2FP2 TSA 1.80723
33 3W54 RNB 1.82371
34 2NPA MMB 1.85185
35 2A1L PCW 1.85185
36 3FEI CTM 1.87266
37 2P54 735 1.87266
38 4F06 PHB 1.88679
39 3GWL FAD 1.88679
40 5BNS 4VM 1.89274
41 6F6E PLM 1.89873
42 5DUF G7A 1.90114
43 3TKY N7I 1.90217
44 5K53 STE 1.9084
45 5YBN AKG 1.91083
46 5DXE EST 1.91571
47 2XSU PIE 1.92308
48 1YOK P6L 1.95312
49 5J6D 6H5 1.9544
50 1YUC EPH 1.96078
51 4MG8 27J 1.96078
52 4TUZ 36J 1.96078
53 4JD3 COA 1.983
54 4JD3 PLM 1.983
55 5AAV GW5 1.98413
56 4TV1 36M 1.99203
57 3UUD EST 1.99203
58 4E2J MOF 2
59 2QE4 JJ3 2.01613
60 1EWF PC1 2.03562
61 3SQP FAD 2.03562
62 1J78 VDY 2.03562
63 2APC UDM 2.04678
64 3V66 D3A 2.05882
65 4EKQ NPO 2.13904
66 1FCH TYR GLN SER LYS LEU 2.17391
67 5O42 BGC 2.18978
68 5O42 NAD 2.18978
69 5O42 9JW 2.18978
70 3H78 BE2 2.22841
71 5UC1 486 2.25225
72 2EV1 OLA 2.25225
73 5K52 OCD 2.26415
74 6HH6 A3R 2.29008
75 5OLZ T4E 2.29008
76 5IUY BOG 2.29008
77 5J6A P46 2.29008
78 1E4I NFG 2.29008
79 4DR9 BB2 2.29008
80 2CET PGI 2.29008
81 1SR7 MOF 2.3166
82 4OAR 2S0 2.32558
83 2G30 ALA ALA PHE 2.32558
84 4P6X HCY 2.35294
85 4M73 M72 2.37389
86 4M73 SAH 2.37389
87 1NF8 BOG 2.41546
88 4PGK Y69 2.45902
89 3UR0 SVR 2.52427
90 4KCF AKM 2.54453
91 6EWZ GTP 2.54453
92 4EIL FOL 2.54453
93 1EC9 XYH 2.54453
94 5HWO HMG 2.54453
95 3UST FAD 2.62172
96 5MWY YNU 2.62295
97 5L7G 6QE 2.62295
98 6BA2 7KM 2.71186
99 1OLM VTQ 2.72953
100 2ZCQ B65 2.73038
101 3G5K BB2 2.73224
102 2AX9 BHM 2.73438
103 2BW7 APC 2.73973
104 5EXW 7DT 2.75
105 5UR6 8KM 2.76243
106 4D7M TDC 2.76498
107 4ANP 3QI 2.77778
108 6BR9 PGV 2.78552
109 6BR9 6OU 2.78552
110 1KPH SAH 2.78746
111 1KPG SAH 2.78746
112 1TV5 N8E 2.79898
113 6DIO NAD 2.79898
114 3Q8G PEE 2.8125
115 3IPQ 965 2.82686
116 2UXI G50 2.85714
117 5N5U AMP 2.86624
118 5N5U 7N8 2.86624
119 4L1F COS 2.87206
120 2EIX FAD 2.88066
121 3JRS A8S 2.88462
122 3ND6 ATP 2.92398
123 6C7D EOJ 2.92398
124 4UDB CV7 2.94118
125 5UWA 8ND 2.95567
126 3SUD SUE 2.95567
127 5HZ5 65X 2.98507
128 5XJ8 NKO 2.98507
129 1UBY DMA 2.99728
130 4J7Q B7N 3.003
131 3P0K FAD 3.00752
132 4M1U A2G MBG 3.0303
133 1YC4 43P 3.0303
134 4UMJ BFQ 3.04054
135 4CA5 3EF 3.05344
136 3QCP FAD 3.05344
137 5W7D PX8 3.05344
138 1VJ7 GDP 3.05344
139 4QGE 35O 3.05344
140 5B0I BOG 3.05344
141 6C1R EFD 3.08057
142 3PXP MYR 3.08219
143 5O0B 9FE 3.08642
144 5OYH T99 3.10881
145 5HCV 60R 3.11284
146 4NAT ADP 3.125
147 4NAT 2W5 3.125
148 4RC8 STE 3.15315
149 3KFC 61X 3.16206
150 2A3I C0R 3.16206
151 5LX9 OLB 3.16901
152 3SHZ 5CO 3.17003
153 2CWH PYC 3.207
154 4DK7 0KS 3.23887
155 5X5M 7YU 3.24074
156 3E2M E2M 3.24324
157 5F2T PLM 3.24675
158 5B25 4QJ 3.25444
159 1LQY BB2 3.26087
160 4XB4 45D 3.28947
161 4ELG 52I 3.30789
162 4ELG 52J 3.30789
163 3T58 FAD 3.30789
164 4I6G FAD 3.30789
165 3TGE TGE 3.37423
166 3LLI FAD 3.44828
167 2J8C U10 3.46154
168 2J8C SPO 3.46154
169 5HH0 COA 3.5
170 5NTP 98E 3.56234
171 4IGH FMN 3.56234
172 4IGH 1EA 3.56234
173 4IGH ORO 3.56234
174 4DV8 0LX 3.56234
175 5IXK 6EW 3.56234
176 2QA8 GEN 3.56234
177 5WGD EST 3.56234
178 5HYR EST 3.56234
179 5WGQ EST 3.56234
180 4P42 PEE 3.56234
181 4MGB XDH 3.56234
182 4MLO PAM 3.56234
183 2QZO KN1 3.56234
184 4MG7 27H 3.56234
185 5APK 76E 3.56234
186 4MGD 27N 3.56234
187 5NI5 8YB 3.56234
188 4WPF 3SN 3.56234
189 1G27 BB1 3.57143
190 6D61 4AA 3.58974
191 5UC4 83S 3.63636
192 6D28 NEC 3.663
193 5AZC PGT 3.66667
194 6GG9 FMN 3.7037
195 6CHP F0Y 3.72671
196 3KRO IPE 3.72881
197 3KRO DST 3.72881
198 4M4Q 21A 3.73444
199 2OBD PCW 3.78151
200 2OBD 2OB 3.78151
201 2OKL BB2 3.78378
202 3JUQ AKD 3.78378
203 3JUQ AJD 3.78378
204 2HHP FLC 3.81679
205 1GNI OLA 3.81679
206 1VPV PLM 3.81679
207 2FB3 GTP 3.82353
208 3B6C SDN 3.84615
209 4V3I ASP LEU THR ARG PRO 3.89105
210 3IS2 FAD 3.8961
211 4GFD 0YB 3.90244
212 5X3R 7Y3 3.90244
213 4ZVV GN0 3.91566
214 4ZVV NAD 3.91566
215 3RMK BML 3.92157
216 2YI0 YI0 3.93013
217 3NMV PYV 3.93258
218 3R1V AZB 3.93701
219 4OMJ 2TX 3.95683
220 1ATL 0QI 3.9604
221 6BR8 PGV 3.96825
222 6BR8 6OU 3.96825
223 4F0B GDS 4.01786
224 3D72 FAD 4.02685
225 4O6M C5P 4.03226
226 4JE7 BB2 4.06091
227 5EK3 5PK 4.07125
228 3G5N PB2 4.07125
229 3CGD FAD 4.07125
230 3CGD NAD 4.07125
231 3CGD COA 4.07125
232 2WPF WPF 4.07125
233 4OKD GLC GLC GLC 4.07125
234 2WOE AR6 4.07125
235 2YB9 HA0 4.07125
236 4YV5 SVR 4.09836
237 4UA3 COA 4.12371
238 1JQ9 PHE LEU SER TYR LYS 4.13223
239 1S8G DAO 4.13223
240 3VHZ L2P GLC MAN SGA 4.19847
241 1R5L VIV 4.19847
242 2FV5 541 4.21456
243 2GFD RDA 4.23729
244 4B1X LAB 4.25532
245 5ZZA LAB 4.28954
246 3MBG FAD 4.31655
247 4POJ 2VP 4.3257
248 4M8E 29V 4.3257
249 3FAL LO2 4.3257
250 5OCA 9QZ 4.3257
251 3FAL REA 4.3257
252 2Z3U CRR 4.3257
253 4DS8 A8S 4.3257
254 4KWD JF2 4.3257
255 5K7H IVC 4.329
256 1TMX HGX 4.43686
257 1S17 GNR 4.44444
258 2GBB CIT 4.48718
259 1MDC PLM 4.54545
260 6MPT C30 4.54545
261 1G2N EPH 4.54545
262 2BCG GER 4.58015
263 2JHP GUN 4.58015
264 2XFH CL6 4.58015
265 1RQJ RIS 4.58015
266 4MRP GSH 4.58015
267 1XW6 GSH 4.58716
268 4B7S QLE 4.58716
269 2P1C GG3 4.61538
270 2Q2Y MKR 4.63215
271 2Q2Y ADP 4.63215
272 4XCL AGS 4.6332
273 1N1G BCP 4.64481
274 4KBS PX2 4.65116
275 4CL6 7SB 4.67836
276 1SJN DUP 4.70588
277 1R6N 434 4.73934
278 3OJI PYV 4.7619
279 3ET3 ET1 4.79452
280 3O55 FAD 4.8
281 1OQC FAD 4.8
282 2HJ3 FAD 4.8
283 2Q1H AS4 4.8
284 5DKK FMN 4.82759
285 3AHQ FAD 4.83461
286 5KOK S9T 4.83461
287 5KOK SAH 4.83461
288 3BQ5 HCS 4.83461
289 5IKH 6BW 4.83461
290 4V2O CLQ 4.87805
291 3H4L ANP 4.90463
292 3AMN CBK 4.90566
293 3AMN CBI 4.90566
294 1RDT 570