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: 156
No: Ligand ECFP6 Tc MDL keys Tc
1 5GP 1 1
2 G 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 GCP 0.765432 0.960526
11 G1R 0.765432 0.973333
12 GDP MG 0.7625 0.935065
13 GAV 0.759036 0.948052
14 GSP 0.756098 0.935897
15 GNP 0.756098 0.960526
16 GDP BEF 0.753086 0.911392
17 ALF 5GP 0.753086 0.9
18 GMP 0.732394 0.866667
19 GTP MG 0.72619 0.935065
20 BEF GDP 0.72619 0.9
21 GPG 0.724138 0.948052
22 GCP G 0.717647 0.947368
23 G2R 0.712644 0.948052
24 GDP AF3 0.701149 0.9
25 GDP ALF 0.701149 0.9
26 Y9Z 0.692308 0.890244
27 GDC 0.692308 0.948052
28 GKE 0.692308 0.948052
29 GDD 0.692308 0.948052
30 YGP 0.681319 0.9125
31 G G 0.677778 0.947368
32 G3A 0.677419 0.960526
33 G5P 0.670213 0.960526
34 GFB 0.666667 0.948052
35 GDR 0.666667 0.948052
36 GTG 0.666667 0.924051
37 6CK 0.659574 0.924051
38 3GP 0.65 0.959459
39 GKD 0.645833 0.948052
40 JB2 0.645833 0.948052
41 GPD 0.639175 0.9125
42 GDX 0.639175 0.960526
43 GDP 7MG 0.635417 0.923077
44 G3D 0.617977 0.972973
45 U2G 0.617647 0.924051
46 IMP 0.609756 0.972603
47 2GP 0.609756 0.946667
48 JB3 0.607843 0.935897
49 CG2 0.605769 0.924051
50 G4P 0.604396 0.972973
51 DGP 0.60241 0.922078
52 DG 0.60241 0.922078
53 FEG 0.601942 0.890244
54 NGD 0.601942 0.948052
55 ZGP 0.596154 0.879518
56 0O2 0.595745 0.972973
57 2MD 0.584906 0.879518
58 G7M 0.583333 0.960526
59 CAG 0.583333 0.869048
60 G A A A 0.579439 0.935065
61 U A G G 0.574074 0.947368
62 MGD 0.568807 0.879518
63 DBG 0.566372 0.935897
64 PGD 0.5625 0.9125
65 MD1 0.5625 0.879518
66 P2G 0.55814 0.894737
67 FE9 0.553571 0.784946
68 I2C FE2 CMO CMO 0.54955 0.818182
69 P1G 0.545455 0.883117
70 GH3 0.542553 0.96
71 TPG 0.53913 0.829545
72 GPX 0.53125 0.933333
73 DGI 0.527473 0.910256
74 G1R G1R 0.525862 0.911392
75 PGD O 0.521368 0.83908
76 DGT 0.521277 0.910256
77 G4M 0.520325 0.869048
78 G G U 0.519231 0.947368
79 G C 0.513514 0.911392
80 93A 0.511364 0.821429
81 IDP 0.505495 0.959459
82 MGQ 0.505155 0.948052
83 C2R 0.5 0.893333
84 BGO 0.5 0.911392
85 AMP 0.5 0.905405
86 AMZ 0.5 0.905405
87 A 0.5 0.905405
88 AIR 0.493671 0.890411
89 MGV 0.49 0.901235
90 SGP 0.488889 0.8375
91 U G A 0.488189 0.9
92 NIA 0.488095 0.8375
93 GPC 0.474138 0.890244
94 G G G RPC 0.473684 0.886076
95 GGM 0.473684 0.888889
96 71V 0.47191 0.85
97 APC G U 0.470085 0.897436
98 MGP 0.46875 0.948052
99 C2E 0.468085 0.933333
100 35G 0.468085 0.945946
101 PCG 0.468085 0.945946
102 G1G 0.466102 0.9125
103 7RA 0.465909 0.918919
104 AAM 0.465909 0.905405
105 RMB 0.465909 0.813333
106 FAI 0.465909 0.905405
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 P2P 0.433333 0.842105
124 JLN 0.433333 0.88
125 XMP 0.428571 0.907895
126 PGS 0.425532 0.804878
127 RVP 0.423529 0.84
128 G2Q 0.423077 0.948052
129 ADP 0.419355 0.906667
130 A2D 0.417582 0.881579
131 ABM 0.417582 0.857143
132 GUO 0.415842 0.932432
133 CA0 0.410526 0.883117
134 2SA 0.41 0.871795
135 1YD 0.409091 0.933333
136 4BW 0.409091 0.933333
137 AP2 0.408602 0.871795
138 A12 0.408602 0.871795
139 BA3 0.408602 0.881579
140 6C6 0.408163 0.825
141 25A 0.407767 0.906667
142 NOS 0.406977 0.813333
143 AMP MG 0.406593 0.833333
144 ATP 0.40625 0.906667
145 AP5 0.404255 0.881579
146 B4P 0.404255 0.881579
147 6IA 0.40404 0.785714
148 ACQ 0.40404 0.883117
149 ANP 0.40404 0.883117
150 CGP 0.403361 0.878049
151 3ZE 0.402062 0.871795
152 APC 0.402062 0.871795
153 5FA 0.402062 0.906667
154 AQP 0.402062 0.906667
155 N6P 0.4 0.853333
156 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: 526
This union binding pocket(no: 1) in the query (biounit: 3x01.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1O44 852 0.00983 0.44871 None
2 5SVV FMN 0.01759 0.41164 None
3 5IBE 69M 0.04243 0.40927 1.01781
4 2YRX AMP 0.004143 0.42389 1.10865
5 4L3L 5FI 0.0004997 0.50586 1.31579
6 4WUJ FMN 0.02394 0.4026 1.36054
7 3DNT ATP 0.003172 0.45481 1.36364
8 4E1Z 0MX 0.0004501 0.49733 1.37457
9 3E8N VRA 0.0006004 0.51907 1.46628
10 3E8N ATP 0.0006004 0.51907 1.46628
11 1CKM GTP 0.0012 0.47354 1.51515
12 2NP9 YE1 0.01439 0.43244 1.52672
13 2J4D FAD 0.02368 0.41511 1.52672
14 3LXN MI1 0.0004073 0.49717 1.57233
15 4OCJ NDG 0.0004484 0.51781 1.58311
16 1Q8Y ADE 0.00003403 0.53486 1.60858
17 1Q8Y ADP 0.0003366 0.50244 1.60858
18 4R78 AMP 0.004183 0.42697 1.61812
19 3BU5 ATP 0.0007849 0.4774 1.63399
20 4GJ3 0XP 0.00008374 0.5505 1.65563
21 1K3A ACP 0.00136 0.45701 1.67224
22 3PLS ANP 0.0005231 0.48605 1.67785
23 2ZL7 FUC GAL NGA 0.002961 0.42017 1.69492
24 4IX4 ADP 0.0001205 0.52364 1.71429
25 3MVH WFE 0.0002608 0.52222 1.75439
26 5VZ0 ADP 0.00005026 0.53637 1.78117
27 3HZT J60 0.00006648 0.52187 1.78117
28 4U98 ACP 0.0001064 0.5193 1.78117
29 3V8S 0HD 0.0001597 0.51056 1.78117
30 4IJP 1EH 0.001848 0.46176 1.78117
31 3TYZ XHP 0.02819 0.40496 1.78117
32 3CV9 VDX 0.04797 0.40042 1.78117
33 5HCY 60D 0.001052 0.5044 1.81269
34 3TKI S25 0.001025 0.51225 1.85759
35 2HY0 306 0.0002048 0.50006 1.86335
36 3SXS PP2 0.0007364 0.48416 1.86567
37 5C4L 4XR 0.001093 0.48825 1.86916
38 5C4L SIS 0.007104 0.44439 1.86916
39 3TKY SAH 0.007986 0.43057 1.90217
40 1DUB CAA 0.01221 0.45934 1.91571
41 1KYZ SAH 0.01236 0.41585 1.91781
42 5C1P DAL DAL 0.001266 0.47835 1.96078
43 5C1P ADP 0.0005873 0.47652 1.96078
44 5MJA 7O3 0.0006737 0.4757 1.96721
45 4EWN 0VR 0.01108 0.41675 1.97628
46 4MYD 164 0.02006 0.40338 1.98413
47 4PNE SAH 0.03521 0.40139 1.98676
48 3P3G UKW 0.03373 0.40711 2
49 3P3G 3P3 0.03373 0.40711 2
50 1PHK ATP 0.001566 0.46363 2.01342
51 5X8I SQZ 0.00008968 0.52602 2.02312
52 2Q7D ANP 0.0002173 0.52088 2.02312
53 4JDI ANP 0.0006438 0.48617 2.02312
54 4Y93 746 0.0001933 0.52167 2.03562
55 4ANW O92 0.0004434 0.51171 2.03562
56 4DC2 ADE 0.0001411 0.47938 2.03562
57 4ASE AV9 0.001869 0.47308 2.03562
58 4DHY S41 0.03585 0.40109 2.03562
59 4KS7 X4Z 0.0001181 0.4026 2.05479
60 2Y6O 1N1 0.001208 0.47435 2.06186
61 5KO1 6UY 0.001263 0.46593 2.12014
62 4G17 0VN 0.00003295 0.542 2.12121
63 1EHI ADP 0.008515 0.42556 2.12202
64 3GC0 AMP 0.001185 0.46103 2.12766
65 4N70 2HX 0.0007082 0.51841 2.13415
66 3KV8 FAH 0.02333 0.43972 2.15827
67 3SRV S19 0.0001384 0.51389 2.16606
68 5UIU 8CG 0.003256 0.46215 2.16718
69 1CM8 ANP 0.00007285 0.52731 2.17984
70 1TZD ADP 0.00001255 0.50972 2.18182
71 4EUU BX7 0.00192 0.46976 2.19436
72 4F4P 0SB 0.0002883 0.54771 2.1978
73 4LOO SB4 0.00293 0.44754 2.21607
74 5DH3 5BS 0.0007874 0.48196 2.22222
75 3CIF G3H 0.01408 0.43556 2.22841
76 3CY2 MB9 0.00007795 0.53967 2.2293
77 2X2M X2M 0.001514 0.46919 2.2293
78 4OUC 5ID 0.001327 0.46223 2.2409
79 3QCQ 3Q0 0.00325 0.50169 2.24359
80 5LVP ATP 0.0008583 0.46819 2.2508
81 4QMN DB8 0.0002158 0.53238 2.25806
82 5LI1 ANP 0.00028 0.50682 2.25989
83 1I7L ATP 0.001085 0.47906 2.26537
84 3TXO 07U 0.0001503 0.50858 2.26629
85 2PUL ACP 0.0146 0.43733 2.267
86 4ZS4 ATP 0.0001606 0.51529 2.28013
87 3EKK GS2 0.0005992 0.50977 2.28013
88 3NW7 LGV 0.00456 0.46857 2.28013
89 5LI9 ACP 0.00008718 0.42737 2.28571
90 4UWH JXM 0.0004002 0.48772 2.29008
91 4O1P ANP 0.001473 0.46411 2.29008
92 5TT5 NAD 0.009695 0.43135 2.29008
93 3IQE F42 0.01889 0.42478 2.29008
94 3IQE H4M 0.01761 0.41591 2.29008
95 3RSC TYD 0.02206 0.40889 2.29008
96 5X2Z 3LM 0.03054 0.40711 2.29008
97 3IAA TYD 0.02913 0.40032 2.29008
98 4GLW 0XT 0.00273 0.43732 2.29508
99 1G55 SAH 0.02302 0.40711 2.33236
100 3M2W L8I 0.0001323 0.5081 2.34114
101 5JZJ AN2 0.0009649 0.47087 2.3569
102 2X4Z X4Z 0.0009925 0.49475 2.36486
103 5W4W 9WG 0.0004717 0.50774 2.41692
104 4KBA 1QM 0.0003955 0.45265 2.41692
105 3UIM ANP 0.002583 0.45159 2.45399
106 3AKK ADP 0.0000821 0.53015 2.46154
107 3UP3 XCA 0.03001 0.40307 2.46914
108 2IF8 ADP 0.0000004788 0.62003 2.47934
109 4DFU QUE 0.00003061 0.51305 2.48447
110 4XBA 5GP 0.001187 0.46638 2.5
111 4XBA GMP 0.001847 0.45431 2.5
112 5JLB SAH 0.01259 0.4149 2.50896
113 4FMU 0UM 0.01794 0.41488 2.51799
114 2GQS ADP 0.001085 0.46798 2.53165
115 2GQR ADP 0.001651 0.45904 2.53165
116 5U6C 7YS 0.0006334 0.48737 2.53968
117 4MV1 ADP 0.0001222 0.54263 2.54453
118 5TDF ADP 0.0004834 0.49251 2.54453
119 5N87 N66 0.001641 0.48566 2.54453
120 4OAV ACP 0.001598 0.46004 2.54453
121 3LL9 ADP 0.01469 0.40918 2.54453
122 1QHO ABD 0.0338 0.40758 2.54453
123 5TE1 7A2 0.01257 0.40521 2.54453
124 5TDF 7A3 0.02355 0.40118 2.54453
125 1JS3 PLP 142 0.02774 0.40092 2.54453
126 3PDT ADP 0.0004277 0.48635 2.54545
127 4WB6 ATP 0.0004179 0.5049 2.57143
128 1RE8 BD2 0.002701 0.48393 2.57143
129 5GZ9 ANP 0.006168 0.4384 2.62295
130 4USF 6UI 0.002736 0.45882 2.63158
131 5HX8 66P 0.0007021 0.49212 2.64901
132 3ORQ ADP 0.0002665 0.50547 2.65252
133 5GXU FAD 0.03408 0.40628 2.65625
134 2R3A SAM 0.01243 0.41699 2.66667
135 2R5T ANP 0.0009337 0.47974 2.68097
136 2XMY CDK 0.00568 0.476 2.68456
137 2CSN CKI 0.01774 0.44534 2.6936
138 3RE4 TO1 0.0005897 0.47252 2.71318
139 1ZTH ADP 0.001706 0.44987 2.71318
140 1ZP9 ATP 0.003476 0.43881 2.71318
141 4ZGP ADP 0.004833 0.43437 2.73038
142 4YLL 4E3 0.001025 0.47989 2.77008
143 2V58 LZJ 0.0001507 0.55388 2.79898
144 4TM3 FAD 0.006011 0.47856 2.79898
145 1OPK P16 0.002439 0.46988 2.79898
146 2RIO ADP 0.002414 0.45099 2.79898
147 3K5I AIR 0.008695 0.44041 2.79898
148 3K5I ADP 0.004546 0.44041 2.79898
149 5L4L NAP 0.03015 0.40662 2.79898
150 4HXY NDP 0.04342 0.40503 2.79898
151 4L40 DCR 0.02578 0.40483 2.79898
152 4I42 1HA 0.01668 0.45059 2.80702
153 3PN1 IVH 0.0007316 0.46403 2.83019
154 2Q4H AMP 0.000524 0.50447 2.849
155 5JGA 6KC 0.000353 0.5184 2.85714
156 4Y8D 49J 0.0002357 0.50393 2.85714
157 1U5R ATP 0.0007355 0.47932 2.87356
158 1T36 ADP 0.004554 0.45224 2.87958
159 2OFV 242 0.006748 0.4511 2.88809
160 4C5N PXL 0.004285 0.46298 2.89855
161 4C5N ACP 0.004069 0.46298 2.89855
162 1OBD ATP 0.001553 0.45392 2.94118
163 5FBN 5WF 0.0006091 0.50686 2.95203
164 4YZC STU 0.001096 0.49597 2.96296
165 4B7X NAP 0.0219 0.42255 2.97619
166 3FHR P4O 0.000343 0.4071 2.97619
167 3BL7 DD1 0.01412 0.41024 2.99003
168 4BFM ANP 0.0002023 0.51325 2.99401
169 4QIJ 1HA 0.02711 0.44694 2.99401
170 4Y85 499 0.0004729 0.48639 3.01205
171 3KRR DQX 0.0008091 0.52573 3.05085
172 2JLD AG1 0.0003758 0.51693 3.05344
173 4CFU 2WC 0.0002551 0.43271 3.05344
174 2GKS ADP 0.009274 0.42814 3.05344
175 5VLQ ANP 0.0006324 0.40754 3.05344
176 5JJR SAH 0.02453 0.40397 3.05344
177 3VHE 42Q 0.002811 0.46679 3.06407
178 3H8V ATP 0.02347 0.40429 3.08219
179 1GP6 DH2 0.00722 0.4395 3.08989
180 1GP6 SIN 0.00722 0.4395 3.08989
181 1GP6 QUE 0.007701 0.4395 3.08989
182 4V3C C 0.007746 0.42371 3.09278
183 3GQI ACP 0.0008814 0.4757 3.09735
184 4YNM SAM 0.01716 0.40949 3.09735
185 1V0O INR 0.00009424 0.52863 3.125
186 1U59 STU 0.00007072 0.53188 3.13589
187 2F57 23D 0.0009936 0.4684 3.15457
188 5BYZ 4WE 0.04324 0.40316 3.16092
189 4NM5 ADP 0.01996 0.43797 3.18302
190 1XJD STU 0.000318 0.49906 3.18841
191 4Y0X ADP 0.000003204 0.59509 3.2
192 5UR1 YY9 0.002875 0.47752 3.21543
193 5OO5 UUA 0.01727 0.40566 3.22581
194 5EOU ATP 0.0297 0.40118 3.22581
195 3ZRM ZRM 0.00005024 0.53884 3.2345
196 1XDN ATP 0.009033 0.41815 3.2491
197 5I35 ANP 0.000006243 0.58354 3.30789
198 5MY8 RXZ 0.00003047 0.564 3.30789
199 2QK4 ATP 0.0001773 0.49729 3.30789
200 4CRL C1I 0.0008849 0.49556 3.30789
201 4OTH DRN 0.0004903 0.49427 3.30789
202 5AWM ANP 0.0007341 0.46905 3.30789
203 4CYI ATP 0.008226 0.42919 3.30789
204 2YW2 ATP 0.0001604 0.40746 3.30789
205 4U44 3D9 0.0003163 0.49565 3.31325
206 2WKQ FMN 0.02241 0.40411 3.31325
207 3E7O 35F 0.0004971 0.51007 3.33333
208 3V4S ATP 0.0001781 0.51653 3.35917
209 3V4S ADP 0.001304 0.48986 3.35917
210 5CUQ NSC 0.01353 0.43213 3.37079
211 4K33 ACP 0.00154 0.46548 3.38462
212 3GLC R5P 0.01557 0.40419 3.38983
213 3LCC SAH 0.02241 0.4043 3.40426
214 3TII ANP 0.00002057 0.54697 3.42105
215 3F7Z 34O 0.0002024 0.50709 3.42857
216 4FG8 ATP 0.0001915 0.51282 3.49206
217 5HVJ ANP 0.001361 0.45292 3.49206
218 4D2S DYK 0.0007626 0.47111 3.52113
219 1YQC GLV 0.00848 0.41375 3.52941
220 5VCV 1N1 0.00007195 0.54196 3.53698
221 5JKG 6LF 0.001742 0.48727 3.53698
222 5DMZ ADP 0.0002613 0.50315 3.56164
223 5LXC 7AA 0.00002553 0.54905 3.56234
224 3VOT ADP 0.000154 0.50355 3.56234
225 5FI4 5XV 0.0005197 0.49657 3.56234
226 5DXT 5H5 0.0003749 0.49604 3.56234
227 1PK8 ATP 0.0006328 0.49431 3.56234
228 3H4V DVP 0.03507 0.4202 3.56234
229 3H4V NAP 0.04309 0.40351 3.56234
230 1E5Q NDP 0.04013 0.40299 3.56234
231 5JFS 6K0 0.01881 0.43146 3.57143
232 1IA9 ANP 0.00007002 0.42473 3.57143
233 3L4S 3PG 0.02544 0.41866 3.57143
234 3L4S NAD 0.0243 0.41866 3.57143
235 3DLS ADP 0.00009732 0.51813 3.58209
236 4A4X JUP 0.000935 0.48819 3.58423
237 4CQE CQE 0.0003678 0.50101 3.59712
238 1N62 MCN 0.03508 0.41412 3.61446
239 3SLS ANP 0.002787 0.45503 3.61842
240 2VSS ACO 0.01041 0.42119 3.62319
241 4O4F ATP 0.00002756 0.56705 3.62903
242 4O4F IHP 0.00003171 0.56588 3.62903
243 4CSV STI 0.001583 0.46998 3.63636
244 2VSU ACO 0.01075 0.42032 3.63636
245 4IDT T28 0.0005232 0.48316 3.65169
246 3LXK MI1 0.0007576 0.49297 3.66972
247 4JGP PYR 0.001534 0.44313 3.68664
248 5A65 TPP 0.0272 0.40212 3.68664
249 2Y88 2ER 0.01286 0.4381 3.68852
250 5V22 SAH 0.01703 0.41109 3.7037
251 2Z7R STU 0.0001347 0.52457 3.73832
252 5C03 AGS 0.0008655 0.47575 3.80117
253 4U0I 0LI 0.001983 0.47623 3.80952
254 5CKW ANP 0.000005163 0.57726 3.81679
255 2YAB AMP 0.00002416 0.55868 3.81679
256 4WB7 ATP 0.001325 0.48926 3.81679
257 2V7O DRN 0.00001102 0.55818 3.86905
258 3KRL KRL 0.001293 0.47296 3.8806
259 1XKQ NDP 0.03705 0.41113 3.92857
260 3HY3 10F 0.03496 0.40225 3.94089
261 2PVN P63 0.0001578 0.53151 3.97727
262 5HGR 45D 0.04371 0.40705 4
263 5C79 PBU 0.009926 0.40435 4
264 4O0L NDP 0.0438 0.4039 4
265 4G31 0WH 0.001157 0.49153 4.01338
266 3LL5 ADP 0.03424 0.41375 4.01606
267 1AFS NAP 0.03497 0.40923 4.02477
268 5EKO N17 0.004321 0.44743 4.04313
269 3KAL ADP 0.00006414 0.55961 4.07125
270 3GGF GVD 0.0002485 0.49826 4.07125
271 5NCY 8TK 0.001412 0.48139 4.07125
272 1ON3 MCA 0.01002 0.43302 4.07125
273 4JBI NDP 0.03235 0.40463 4.07125
274 4WOV 3SM 0.000426 0.48336 4.10095
275 5COU ATP 0.00974 0.41974 4.11765
276 4BKJ STI 0.004263 0.45039 4.12698
277 4LRJ ANP 0.0001143 0.51753 4.14201
278 2VZ6 FEF 0.0004953 0.43199 4.15335
279 3PE2 E1B 0.000142 0.55469 4.1543
280 4P5Z Q7M 0.007011 0.45246 4.15512
281 2BKK ADP 0.0009064 0.46772 4.16667
282 3VQ2 LP4 LP5 MYR DAO 0.0455 0.41282 4.16667
283 1SG4 CO8 0.001116 0.4867 4.23077
284 5DBX ANP 0.00115 0.46356 4.26829
285 4GYI ADP 0.000008345 0.4928 4.28212
286 4CSS CWX 0.02821 0.40683 4.29448
287 2XVD AS6 0.0005694 0.50161 4.30464
288 1M0W ANP 0.000007012 0.57745 4.3257
289 3WVR AMP 0.00006274 0.52919 4.3257
290 4XYM A12 0.0001777 0.51359 4.3257
291 3SXF BK5 0.0008769 0.49875 4.3257
292 4X7Q 3YR 0.0000881 0.42557 4.3257
293 4AT3 LTI 0.001797 0.47649 4.34783
294 3AQV TAK 0.005082 0.43483 4.34783
295 4EWH T77 0.0003184 0.51327 4.36364
296 4E70 N7I 0.02192 0.42066 4.38144
297 2QCS ANP 0.0007087 0.49263 4.46735
298 4U0W 16G 0.02285 0.40323 4.47154
299 4OCV ANP 0.0001635 0.51399 4.48549
300 5K6A NAP 0.02557 0.4166 4.51389
301 3JQF NAP 0.03002 0.41257 4.51389
302 5JDC NAP 0.02865 0.41252 4.51389
303 4CM9 NAP 0.03106 0.41173 4.51389
304 4CME NAP 0.02978 0.41156 4.51389
305 3JQ7 NAP 0.02997 0.41007 4.51389
306 3JQB NAP 0.03058 0.40959 4.51389
307 4CM8 NAP 0.03219 0.40959 4.51389
308 5JDI NAP 0.03273 0.40921 4.51389
309 3BMN NAP 0.03518 0.4086 4.51389
310 4CLR NAP 0.03354 0.4086 4.51389
311 3BMQ NAP 0.03561 0.4083 4.51389
312 3JQA NAP 0.03226 0.40827 4.51389
313 3BMO NAP 0.03519 0.40738 4.51389
314 4CLO NAP 0.03459 0.40653 4.51389
315 2VQD AP2 0.00002143 0.5641 4.52586
316 4I54 1C1 0.01724 0.42443 4.53258
317 4I6H 1C8 0.001852 0.45812 4.54545
318 5XDT GDP 0.02702 0.41163 4.54545
319 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.01893 0.40385 4.57143
320 3TDV GDP 0.001056 0.4703 4.57516
321 2PZI AXX 0.00003962 0.47541 4.58015
322 2A14 SAH 0.01032 0.42832 4.58015
323 4R08 URI 0.01229 0.41199 4.58015
324 3W0O ADP 0.000005974 0.61099 4.58453
325 3W0O HY0 0.000005974 0.61099 4.58453
326 5JBX COA 0.002738 0.4521 4.5977
327 1TQP ATP 0.00002535 0.56761 4.60993
328 5TO8 7FM 0.006324 0.45595 4.60993
329 5IH1 GDP 0.03184 0.42464 4.63576
330 5IH1 6BQ 0.03184 0.42464 4.63576
331 5BV3 M7G 0.0009016 0.47803 4.63768
332 2VN9 GVD 0.00001426 0.5524 4.65116
333 4BTV RB3 0.003401 0.42981 4.65116
334 4BTK DTQ 0.0001048 0.52327 4.74777
335 2GU8 796 0.004068 0.4788 4.74777
336 2PVF ACP 0.001449 0.46305 4.79042
337 4XV1 904 0.001003 0.49412 4.79452
338 2B9F ADP 0.001194 0.46818 4.81586
339 2B9H ADP 0.001736 0.46149 4.81586
340 2B9J ADP 0.002069 0.45359 4.81586
341 3FGC FMN 0.02022 0.40798 4.81928
342 5W2I ADP 0.0000009772 0.64045 4.83461
343 5W2I I3P 0.0000009772 0.64045 4.83461
344 3UDZ ADP 0.000002387 0.61053 4.83461
345 5EFQ ADP 0.001045 0.47048 4.83461
346 4FL3 ANP 0.001389 0.47001 4.83461
347 5TZJ UD1 0.02517 0.41523 4.83461
348 3B2Q ATP 0.02956 0.40508 4.83461
349 2WD7 NAP 0.03195 0.40978 4.85075
350 3ZJ0 ACO 0.03575 0.40137 4.85437
351 5AX9 4KT 0.001208 0.46753 4.87013
352 3KN5 ANP 0.006205 0.42451 4.92308
353 2JDR L20 0.001854 0.49967 4.97076
354 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.001854 0.49967 4.97076
355 4I94 ANP 0.003871 0.43937 5
356 2QX0 PH2 0.0007948 0.43239 5.03145
357 5UI2 EQ3 0.03074 0.41479 5.04732
358 5M06 ADP 0.001459 0.46045 5.07246
359 4WNK 453 0.000282 0.52006 5.08906
360 4F9C 0SX 0.0002733 0.49895 5.08906
361 3HMO STU 0.0007565 0.47701 5.08906
362 3RI1 3RH 0.0002744 0.51567 5.11182
363 4NFN 2KC 0.00009481 0.52283 5.17799
364 5H2U 1N1 0.0002149 0.50569 5.24345
365 2WU6 DKI 0.0001279 0.52497 5.24934
366 4YMJ 4EJ 0.001522 0.44468 5.26316
367 5XLY C2E 0.02468 0.40226 5.26316
368 5DA3 58V 0.0007497 0.46963 5.28302
369 3VPC ADP 0.0001791 0.51676 5.31915
370 4QTB 38Z 0.001425 0.48126 5.34351
371 1NP7 FAD 0.01174 0.43166 5.34351
372 1V8B NAD 0.04738 0.40581 5.34351
373 3RFA SAM 0.02387 0.40189 5.34351
374 4QVX 3CQ 0.01135 0.42449 5.38922
375 1MJJ HAL 0.00754 0.43935 5.47945
376 4H3Q ANP 0.0008753 0.48233 5.52486
377 4H3P ANP 0.0008452 0.47682 5.52486
378 3IDB ANP 0.0005084 0.49478 5.59006
379 4WW7 AMP 0.000004485 0.60382 5.59796
380 4XH0 ADP 0.0003318 0.47648 5.59796
381 3LKZ SFG 0.02827 0.40211 5.60748
382 5L8L ADP 0.003227 0.43781 5.61404
383 3AB4 THR 0.01256 0.40805 5.61798
384 3C1X CKK 0.001093 0.47736 5.63003
385 5XVK SAH 0.01352 0.42336 5.6338
386 5LXM ADP 0.004162 0.4374 5.65371
387 4BHN BH9 0.000054 0.5436 5.68862
388 3ZLR X0B 0.01031 0.4445 5.6962
389 4NST ADP 0.001785 0.45811 5.69801
390 3OFM 4B0 0.00008337 0.52009 5.71429
391 3ZW2 NAG GAL FUC 0.006422 0.42174 5.74713
392 3ZW2 GLA NAG GAL FUC 0.01039 0.4201 5.74713
393 5BVE 4VG 0.0005021 0.53635 5.81717
394 5MW8 ATP 0.000002763 0.6152 5.85242
395 2PYW ADP 0.000008021 0.58599 5.85242
396 2IO8 ADP 0.0003383 0.50722 5.85242
397 5DZT AMP 0.00008645 0.50501 5.85242
398 4PZV J1D 0.001746 0.46979 5.85242
399 2WEI VGG 0.003286 0.44011 5.85242
400 5HES 032 0.00005346 0.54566 5.86319
401 1IOW PHY 0.0004622 0.5141 5.88235
402 1IOW ADP 0.0004622 0.5141 5.88235
403 5EW9 5VC 0.03726 0.44304 5.90406
404 2HK5 1BM 0.0006013 0.48724 5.92593
405 1ZY5 ANP 0.006544 0.4281 5.94059
406 3G5D 1N1 0.0006069 0.52666 5.94406
407 4CC6 L5Y 0.00369 0.43245 5.97484
408 2DM6 NAP 0.02367 0.42643 6.00601
409 2DM6 IMN 0.03009 0.42214 6.00601
410 4E93 GUI 0.0001759 0.53302 6.1008
411 1U3D FAD 0.04074 0.40136 6.10687
412 2AQX ATP 0.000004806 0.59947 6.22837
413 4WNP 3RJ 0.00005546 0.52895 6.27178
414 1BC5 SAH 0.02465 0.40943 6.3197
415 1TMM APC 0.01693 0.42409 6.32911
416 1TMM HHR 0.01604 0.42409 6.32911
417 1OUK 084 0.008351 0.48259 6.36132
418 3VSV XYS 0.007731 0.40111 6.36132
419 4BCM T7Z 0.001534 0.44784 6.48855
420 4BCQ TJF 0.002273 0.44405 6.48855
421 4BCN T9N 0.0003826 0.43563 6.48855
422 5EOB 5QQ 0.005698 0.47227 6.58307
423 5LMK 6ZK 0.01909 0.40323 6.58915
424 2VPQ ANP 0.00002651 0.5644 6.61578
425 3I0O ADP 0.0006978 0.47003 6.61578
426 2HGS ADP 0.01614 0.44329 6.61578
427 4FE2 ADP 0.004626 0.43309 6.66667
428 4LH7 1X8 0.0008808 0.43057 6.81115
429 2EXX NAP 0.03663 0.4111 6.86275
430 5IH9 6BF 0.0006724 0.50707 6.86567
431 4C2C ALA VAL PRO ALA 0.008365 0.42959 6.87023
432 3DAK ANP 0.0004093 0.48631 6.89655
433 4JR7 GNP 0.00003697 0.54655 6.95187
434 4YZN 4K5 0.00005709 0.54592 6.96864
435 5LXT ACP 0.00002922 0.56 6.99301
436 4AZW ATP 0.000005122 0.59569 7.12468
437 4AZT LY2 0.00001191 0.55892 7.12468
438 1Y57 MPZ 0.0001001 0.53359 7.12468
439 4XLI 1N1 0.0001239 0.51608 7.12468
440 2H8H H8H 0.0002611 0.50156 7.12468
441 5UKL SIX 0.002022 0.47117 7.12468
442 4CS9 AMP 0.00003629 0.4541 7.12468
443 4AUA 4AU 0.0009742 0.46954 7.16612
444 5LPZ ADP 0.0006263 0.48196 7.22892
445 5USZ SKE 0.0001568 0.52885 7.26644
446 3H9R TAK 0.001846 0.44609 7.33945
447 5DRB 5FJ 0.006811 0.45924 7.37913
448 2O3Z AI7 0.01312 0.46084 7.38007
449 3C0G 3AM 0.001261 0.45971 7.40741
450 5K2M ADP 0.0002193 0.51748 7.54717
451 5VC5 96M 0.0008865 0.489 7.61246
452 1JPA ANP 0.0009757 0.40196 7.63359
453 2PT9 S4M 0.0403 0.40057 7.63359
454 2XOC ADP 0.00001885 0.42344 7.66284
455 5A6N U7E 0.00002325 0.55923 7.77385
456 4M69 ANP 0.0007003 0.48493 7.77385
457 4WHZ 3NL 0.00751 0.45888 7.79221
458 1XNG ATP 0.01503 0.41354 7.83582
459 2OO8 RAJ 0.01631 0.41475 7.88804
460 1BYG STU 0.001881 0.45428 7.91367
461 4CLI 5P8 0.0002351 0.53899 7.95107
462 5IGI ZIT 0.002393 0.47795 7.97342
463 5IGI GMP 0.002279 0.47795 7.97342
464 1RJD SAM 0.02138 0.4098 8.08383
465 4AU8 Z3R 0.0002651 0.48962 8.10811
466 2ZYI STE 0.0125 0.42636 8.14249
467 1UNH IXM 0.00004541 0.53382 8.21918
468 3O0G 3O0 0.00008389 0.5244 8.21918
469 3PTG 932 0.005666 0.42184 8.26446
470 1W2D ADP 0.000001069 0.61056 8.30189
471 1W2D 4IP 0.000005154 0.61056 8.30189
472 2PD4 NAD 0.02867 0.41953 8.36364
473 2PD4 DCN 0.02908 0.41908 8.36364
474 3N1S 5GP 0.001387 0.459 8.40336
475 1NBU PH2 0.01018 0.41353 8.40336
476 2Z6D FMN 0.0153 0.41286 8.46154
477 2A19 ANP 0.0000387 0.48115 8.57143
478 3ORK AGS 0.0005814 0.49472 8.68167
479 3ETH ATP 0.0001543 0.52035 8.73239
480 2YAK OSV 0.00007947 0.55007 8.77193
481 5LPB ADP 0.0009441 0.46258 8.78378
482 3QWI NAP 0.03009 0.41477 9.16031
483 3QWI CUE 0.04285 0.41477 9.16031
484 4Q5H ANP 0.000006403 0.58582 9.21053
485 2RIF AMP 0.007441 0.4231 9.21986
486 5UOX 8GY 0.00003288 0.55754 9.22509
487 2WEL K88 0.0007414 0.46046 9.33333
488 4TWP AXI 0.0009914 0.50673 9.41476
489 1W4R TTP 0.03182 0.40666 9.74359
490 4DI8 0GZ 0.01743 0.40323 9.92366
491 4DI8 0GY 0.01743 0.40323 9.92366
492 3GNI ATP 0.0006082 0.48977 9.97067
493 2ZWA SAH 0.01701 0.41652 10.4326
494 5IQD GNP 0.0002444 0.53204 10.4918
495 5IQD RIO 0.0002583 0.53204 10.4918
496 5CEO 50D 0.003967 0.44188 10.6667
497 4INI AMP 0.003345 0.44198 10.7692
498 3FHI ANP 0.0008573 0.48803 11.039
499 3FRH SAH 0.0173 0.41836 11.0672
500 5G1X ADP 0.001567 0.45976 11.1111
501 2CM4 RCL 0.01867 0.40972 11.3333
502 5TA6 79D 0.0004863 0.50286 11.4504
503 3FC2 IBI 0.04762 0.42479 11.4504
504 3ALN ANP 0.001424 0.4678 11.6208
505 1S68 AMP 0.01154 0.40439 11.6466
506 5ETR 5RW 0.003603 0.46568 11.8012
507 5ETR APC 0.003603 0.46568 11.8012
508 4Z4P SAH 0.02277 0.40118 12.0482
509 5HQ0 LZ9 0.0002527 0.50683 12.9139
510 3A4V NAD 0.02573 0.42328 12.9338
511 3A4V PYR 0.02573 0.42328 12.9338
512 2ZV2 609 0.00001614 0.49828 13.2316
513 5DEY 59T 0.001906 0.49624 13.8047
514 3KMW ATP 0.0001359 0.51522 13.9535
515 1VJY 460 0.0006331 0.50449 13.9949
516 3VPB ADP 0.00005916 0.54875 14.2857
517 4OH4 ANP 0.001009 0.47033 14.2857
518 5AVF TAU 0.0009862 0.46048 15.5642
519 1CBK ROI 0.0006946 0.46097 16.25
520 3Q60 ATP 0.006995 0.42714 16.5394
521 3HAV ATP 0.00001195 0.54908 17.5573
522 5I2E 67D 0.005455 0.46748 26.3566
523 5EYK 5U5 0.002547 0.46415 33.8983
524 4C2W ANP 0.002063 0.44776 38.4615
525 4K38 SAM 0.02541 0.403 38.8889
526 4C2V YJA 0.001302 0.48364 45.4545
Pocket No.: 2; Query (leader) PDB : 3X01; Ligand: AMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3x01.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3X01; Ligand: AMP; 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: 3x01.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3X01; Ligand: AMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3x01.bio1) has 3 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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