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Receptor
PDB id Resolution Class Description Source Keywords
4FG9 2.4 Å EC: 2.7.11.17 CRYSTAL STRUCTURE OF HUMAN CALCIUM/CALMODULIN-DEPENDENT PROT I 1-320 IN COMPLEX WITH ATP HOMO SAPIENS CAMK CALMODULIN AUTOINHIBITION REGULATION MECHANISM KINATRANSFERASE
Ref.: CRYSTAL STRUCTURES OF HUMAN CAMKIALPHA REVEAL INSIG THE REGULATION MECHANISM OF CAMKI. PLOS ONE V. 7 44828 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP B:401;
A:401;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4FG8 2.2 Å EC: 2.7.11.17 CRYSTAL STRUCTURE OF HUMAN CALCIUM/CALMODULIN-DEPENDENT PROT I 1-315 IN COMPLEX WITH ATP HOMO SAPIENS CAMK CALMODULIN AUTOINHIBITION REGULATION MECHANISM KINATRANSFERASE
Ref.: CRYSTAL STRUCTURES OF HUMAN CAMKIALPHA REVEAL INSIG THE REGULATION MECHANISM OF CAMKI. PLOS ONE V. 7 44828 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4FG9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 4FG8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4FG9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 4FG8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (81)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3PXQ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
2 2R3N ic50 = 70 nM SCZ C21 H19 N5 c1ccc(cc1)....
3 1H0V - UN4 C10 H12 N6 O2 c1[nH]c2c(....
4 4NJ3 Ki = 0.14 uM 2KD C27 H21 Cl N2 O6 COC(=O)[C@....
5 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
6 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
7 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
8 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
9 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
10 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1/....
11 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
12 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
13 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
14 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
15 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
16 4LYN - 1YG C20 H23 N3 O2 S2 C[C@@H](c1....
17 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
18 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
19 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
20 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
21 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
22 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
23 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
24 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
25 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
26 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
27 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
28 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
29 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
30 5ORJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
31 3MB6 ic50 = 100 nM 01I C16 H8 O6 c1cc2c(cc(....
32 5M4F - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
33 6EHU - B5E C25 H24 F3 N3 CCc1ccccc1....
34 5CVH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 3BQC ic50 ~ 2 uM EMO C15 H10 O5 Cc1cc2c(c(....
36 5N9K Ki = 0.4 nM 8QK C20 H13 Cl2 N O4 COc1ccc(cc....
37 5OTQ - AUH C25 H27 N3 O CCc1ccccc1....
38 5CU2 - 54G C8 H8 O3 Cc1ccc(c(c....
39 5MO5 - 4IH C17 H21 Cl N2 O2 S CS(=O)(=O)....
40 5M4I - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
41 5MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
42 5MOV - HC4 C9 H8 O3 c1cc(ccc1C....
43 5MOH - YTX C9 H10 O4 COc1cc(ccc....
44 5CSH Kd = 270 uM 54E C13 H12 Cl N c1ccc(cc1)....
45 5OTL - AQT C25 H26 Cl N3 O CCc1ccccc1....
46 5ORK Kd = 234 uM A4T C13 H11 Cl F N c1ccc(c(c1....
47 4UZH ic50 = 9800 nM JVE C15 H13 F N4 O c1ccc(c(c1....
48 5OS1 ic50 = 1105 uM A7H C10 H11 N O S CCOc1ccc2c....
49 2C6E - HPM C28 H31 N7 O4 COc1cc2c(c....
50 3H0Y ic50 = 0.006 uM 48B C23 H17 Cl F N5 O2 c1ccc(c(c1....
51 4B0G ic50 = 0.015 uM VEK C19 H21 Br N8 O Cc1cc(no1)....
52 4JBP ic50 = 41 nM YPH C34 H36 N6 O4 c1ccc(cc1)....
53 3H10 - 97B C30 H25 Cl F2 N6 O CN1CCN(CC1....
54 1M2P - HNA C14 H7 N O6 c1cc2c(c(c....
55 1LPU - BEN C7 H8 N2 [H]/N=C(c1....
56 2QC6 ic50 = 0.1 uM G12 C10 H6 Br2 O3 CC1=C(C(=O....
57 4ANM ic50 = 28 nM WUL C15 H14 Br N3 O3 c1cc2c(cc1....
58 1DAW - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
59 4RLK - E91 C21 H14 N2 O2 c1ccc2c(c1....
60 2OXD - K32 C7 H2 Br4 N2 O c12c(c(c(c....
61 2PVM Ki = 0.36 uM P29 C17 H15 N9 c1ccc(cc1)....
62 1J91 - TBS C6 H Br4 N3 c12c(c(c(c....
63 3FL5 - TXQ C14 H8 O6 c1cc(c(c2c....
64 3PWD ic50 = 0.22 uM CZ0 C14 H9 N O5 CC1=CC(=O)....
65 1JKL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
66 3F5G - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
67 5AUZ ic50 = 98 uM GEN C15 H10 O5 c1cc(ccc1C....
68 4FG9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
69 5L2T - 6ZZ C23 H30 N8 O CN(C)C(=O)....
70 3GC0 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
71 3MFU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
72 3C0H - AMP C10 H14 N5 O7 P c1nc(c2c(n....
73 3C0I - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
74 3MFS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
75 5Y9M - NIO C6 H5 N O2 c1cc(cnc1)....
76 5M56 - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
77 5M4U - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
78 5OMY - 9YE C23 H25 N O3 CC(C)n1c2c....
79 2YAB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
80 2YAA - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
81 4JR7 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 422
No: Ligand ECFP6 Tc MDL keys Tc
1 HEJ 1 1
2 ATP 1 1
3 5FA 0.985507 1
4 AQP 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 SAP 0.84 0.945946
12 6YZ 0.833333 0.972222
13 AT4 0.810811 0.958904
14 AN2 0.810811 0.985915
15 25L 0.809524 0.985915
16 AR6 0.802632 0.971831
17 APR 0.802632 0.971831
18 M33 0.8 0.958333
19 ACQ 0.794872 0.972222
20 TAT 0.794872 0.958904
21 T99 0.794872 0.958904
22 AD9 0.792208 0.972222
23 ACP 0.789474 0.972222
24 AMP 0.788732 0.971429
25 A 0.788732 0.971429
26 ANP 0.772152 0.972222
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 PRX 0.734177 0.893333
32 APC 0.734177 0.958904
33 ABM 0.733333 0.917808
34 ATF 0.731707 0.958904
35 ITT 0.730769 0.943662
36 7D4 0.730769 0.905405
37 ADQ 0.729412 0.945205
38 A3R 0.729412 0.907895
39 AP2 0.714286 0.958904
40 A12 0.714286 0.958904
41 A1R 0.709302 0.907895
42 SRA 0.706667 0.918919
43 5AL 0.698795 0.931507
44 HFD 0.695122 0.945946
45 9X8 0.693182 0.92
46 OAD 0.693182 0.945205
47 AU1 0.6875 0.972222
48 SRP 0.682353 0.906667
49 G5P 0.680851 0.921053
50 25A 0.678161 0.971831
51 3OD 0.677778 0.945205
52 4AD 0.670455 0.92
53 G3A 0.670213 0.921053
54 00A 0.662921 0.883117
55 RBY 0.662651 0.932432
56 ADP PO3 0.662651 0.943662
57 ADV 0.662651 0.932432
58 BIS 0.659341 0.933333
59 8QN 0.659091 0.931507
60 5SV 0.659091 0.848101
61 OOB 0.659091 0.931507
62 GTA 0.65625 0.886076
63 UP5 0.653061 0.92
64 AMO 0.651685 0.932432
65 PAJ 0.651685 0.884615
66 2A5 0.650602 0.918919
67 MAP 0.647727 0.945946
68 3AT 0.647059 0.971831
69 AHX 0.644444 0.896104
70 DLL 0.644444 0.931507
71 ATR 0.642857 0.971429
72 PAP 0.642857 0.985714
73 PTJ 0.641304 0.896104
74 7D3 0.6375 0.905405
75 3UK 0.637363 0.918919
76 SON 0.634146 0.932432
77 A4P 0.633663 0.843373
78 ALF ADP 0.632184 0.87013
79 ADP ALF 0.632184 0.87013
80 PR8 0.630435 0.85
81 WAQ 0.630435 0.883117
82 LAD 0.630435 0.860759
83 B5V 0.630435 0.906667
84 AFH 0.628866 0.884615
85 LMS 0.628205 0.82716
86 GAP 0.627907 0.893333
87 DTP 0.627907 0.905405
88 VO4 ADP 0.625 0.931507
89 ADP VO4 0.625 0.931507
90 TXA 0.623656 0.932432
91 ME8 0.623656 0.839506
92 1ZZ 0.623656 0.839506
93 NB8 0.623656 0.896104
94 FYA 0.623656 0.905405
95 DQV 0.622449 0.958333
96 T5A 0.621359 0.841463
97 ADN 0.619718 0.84507
98 RAB 0.619718 0.84507
99 XYA 0.619718 0.84507
100 DAL AMP 0.611111 0.905405
101 9SN 0.610526 0.871795
102 48N 0.61 0.896104
103 AP0 0.607843 0.896104
104 9ZD 0.604396 0.907895
105 9ZA 0.604396 0.907895
106 FA5 0.604167 0.906667
107 B5M 0.604167 0.894737
108 YAP 0.604167 0.894737
109 B5Y 0.604167 0.894737
110 NAI 0.60396 0.907895
111 6V0 0.60396 0.896104
112 TXD 0.60396 0.907895
113 DND 0.60396 0.932432
114 NXX 0.60396 0.932432
115 NAX 0.60396 0.873418
116 ADP BMA 0.602151 0.918919
117 A2R 0.6 0.985915
118 OMR 0.598039 0.851852
119 TXE 0.598039 0.907895
120 XAH 0.597938 0.839506
121 7DT 0.593023 0.985714
122 AOC 0.592593 0.821918
123 4UV 0.591837 0.894737
124 DDS 0.590909 0.878378
125 139 0.590476 0.873418
126 CNA 0.584906 0.932432
127 6AD 0.58427 0.909091
128 5AS 0.583333 0.77907
129 5N5 0.581081 0.819444
130 GA7 0.58 0.906667
131 4UU 0.58 0.894737
132 4TC 0.576923 0.896104
133 ADJ 0.575472 0.851852
134 5CD 0.573333 0.805556
135 A4D 0.573333 0.819444
136 RGT 0.571429 0.958904
137 A3P 0.571429 0.971429
138 7D5 0.56962 0.878378
139 LAQ 0.568627 0.839506
140 F2R 0.564815 0.864198
141 80F 0.563636 0.841463
142 YLP 0.563107 0.819277
143 A A 0.5625 0.944444
144 UPA 0.561905 0.907895
145 AV2 0.56044 0.917808
146 COD 0.559633 0.811765
147 4UW 0.557692 0.860759
148 JB6 0.556701 0.883117
149 3AM 0.555556 0.929577
150 ATP A A A 0.555556 0.930556
151 A2P 0.552941 0.957143
152 TYM 0.552381 0.906667
153 NA7 0.552083 0.958904
154 EP4 0.551282 0.753247
155 MYR AMP 0.55102 0.817073
156 PPS 0.549451 0.873418
157 YLC 0.54717 0.839506
158 YLB 0.54717 0.819277
159 NAD 0.545455 0.931507
160 DAT 0.545455 0.905405
161 TYR AMP 0.544554 0.87013
162 G5A 0.544444 0.77907
163 M2T 0.544304 0.734177
164 DTA 0.544304 0.786667
165 3DH 0.54321 0.773333
166 128 0.542857 0.776471
167 AHZ 0.538462 0.817073
168 GTP 0.537634 0.92
169 SSA 0.537634 0.8
170 MTA 0.5375 0.773333
171 IOT 0.537037 0.831325
172 A3D 0.535714 0.918919
173 ARG AMP 0.533981 0.829268
174 7MD 0.533981 0.8625
175 AR6 AR6 0.533981 0.917808
176 YLA 0.53211 0.819277
177 AMP DBH 0.529412 0.893333
178 IMO 0.529412 0.929577
179 TAD 0.528846 0.884615
180 AYB 0.527273 0.809524
181 A5A 0.526882 0.807229
182 HDV 0.526882 0.893333
183 TSB 0.526316 0.819277
184 EAD 0.525424 0.873418
185 2AM 0.52439 0.943662
186 6RE 0.52381 0.759494
187 7DD 0.522727 0.985714
188 V3L 0.521739 0.971831
189 AVV 0.520833 0.896104
190 BTX 0.517857 0.841463
191 NAE 0.517241 0.894737
192 52H 0.515789 0.77907
193 54H 0.515789 0.788235
194 VMS 0.515789 0.788235
195 NSS 0.515464 0.8
196 BT5 0.513274 0.831325
197 NAQ 0.512821 0.871795
198 ZAS 0.511905 0.766234
199 J7C 0.511628 0.769231
200 A3N 0.511628 0.786667
201 5X8 0.511111 0.763158
202 53H 0.510417 0.77907
203 8X1 0.510417 0.752809
204 5CA 0.510417 0.8
205 NVA LMS 0.510204 0.752809
206 ARU 0.510204 0.860759
207 AF3 ADP 3PG 0.509259 0.8375
208 ZID 0.508475 0.918919
209 P1H 0.508197 0.851852
210 OVE 0.505882 0.905405
211 S4M 0.505747 0.666667
212 LEU LMS 0.50505 0.752809
213 LPA AMP 0.504673 0.817073
214 7MC 0.504587 0.841463
215 DZD 0.5 0.884615
216 FB0 0.5 0.804598
217 MAO 0.5 0.759036
218 DSZ 0.5 0.8
219 LSS 0.5 0.761364
220 DSH 0.5 0.725
221 P5A 0.5 0.744444
222 NDE 0.495935 0.932432
223 N0B 0.495798 0.819277
224 M24 0.495726 0.85
225 YLY 0.495726 0.809524
226 NJP 0.495575 0.945946
227 9K8 0.49505 0.714286
228 MGP 0.494737 0.884615
229 6C6 0.494624 0.881579
230 NAJ PZO 0.491379 0.848101
231 0WD 0.491228 0.921053
232 6G0 0.489583 0.884615
233 GJV 0.488636 0.75
234 6FA 0.488189 0.841463
235 5AD 0.486842 0.746479
236 KAA 0.485149 0.752809
237 GSU 0.485149 0.77907
238 71V 0.483146 0.907895
239 NEC 0.482759 0.746667
240 A3G 0.482759 0.8
241 ODP 0.482456 0.909091
242 FAS 0.48062 0.851852
243 FAD 0.48062 0.851852
244 7D7 0.480519 0.743243
245 FDA 0.480315 0.833333
246 N6P 0.48 0.915493
247 2SA 0.479167 0.932432
248 GP3 0.478723 0.921053
249 4TA 0.478261 0.807229
250 SFG 0.478261 0.75
251 G A A A 0.478261 0.871795
252 AMP NAD 0.478261 0.905405
253 NPW 0.477876 0.886076
254 NDP 0.477876 0.921053
255 NDC 0.47619 0.871795
256 YSA 0.47619 0.77907
257 NAJ PYZ 0.475 0.807229
258 MGO 0.474227 0.860759
259 GDP 0.473684 0.92
260 NZQ 0.473684 0.909091
261 TXP 0.473684 0.921053
262 6IA 0.473684 0.8375
263 A7D 0.472527 0.776316
264 SFD 0.469231 0.734043
265 A5D 0.468085 0.786667
266 SA8 0.468085 0.707317
267 ZDA 0.468085 0.864865
268 12D 0.46789 0.785714
269 PGS 0.467391 0.883117
270 MHZ 0.467391 0.697674
271 8PZ 0.466667 0.8
272 62F 0.466165 0.8625
273 DA 0.465909 0.878378
274 D5M 0.465909 0.878378
275 GGZ 0.464646 0.825
276 SAH 0.463158 0.74359
277 SAI 0.463158 0.734177
278 FAY 0.462687 0.8625
279 Y3J 0.4625 0.726027
280 PO4 PO4 A A A A PO4 0.460784 0.902778
281 AAM 0.460674 0.971429
282 RFL 0.459259 0.821429
283 SMM 0.459184 0.686047
284 HF7 0.459184 0.893333
285 AMZ 0.458824 0.916667
286 C2R 0.458824 0.90411
287 SAM 0.458333 0.690476
288 A3S 0.456522 0.810811
289 FNK 0.455224 0.804598
290 U A 0.453782 0.907895
291 7C5 0.453704 0.818182
292 EEM 0.453608 0.690476
293 AAT 0.453608 0.707317
294 XNP 0.452991 0.873418
295 A G 0.452991 0.883117
296 PRT 0.45283 0.931507
297 AIR 0.451219 0.901408
298 62X 0.45098 0.666667
299 DCA 0.45 0.823529
300 ETB 0.45 0.833333
301 GSP 0.45 0.873418
302 U A G G 0.449153 0.883117
303 NIA 0.448276 0.822785
304 A3T 0.446809 0.821918
305 A A A 0.446602 0.905405
306 K15 0.446602 0.682353
307 PUA 0.446281 0.884615
308 6K6 0.445545 0.930556
309 GEK 0.445545 0.7375
310 4YB 0.445455 0.761364
311 S7M 0.444444 0.690476
312 Z5A 0.443548 0.77907
313 1DG 0.443548 0.921053
314 DG1 0.443548 0.921053
315 0T1 0.442623 0.823529
316 COA 0.442623 0.823529
317 WSA 0.442478 0.788235
318 8BR 0.43956 0.906667
319 8Q2 0.438596 0.772727
320 101 0.438202 0.878378
321 IDP 0.4375 0.918919
322 NVA 2AD 0.4375 0.759494
323 9JJ 0.435714 0.8625
324 NAP 0.435484 0.945205
325 APU 0.434783 0.894737
326 A U 0.434783 0.87013
327 7RP 0.433333 0.928571
328 A6D 0.432692 0.722892
329 AMX 0.432 0.833333
330 J7V 0.432 0.833333
331 TAP 0.432 0.907895
332 COS 0.432 0.804598
333 CAO 0.432 0.795455
334 30N 0.432 0.752688
335 V1N 0.431193 0.917808
336 649 0.429825 0.744444
337 P5F 0.429577 0.823529
338 NA0 0.428571 0.932432
339 SCO 0.428571 0.823529
340 CMX 0.428571 0.823529
341 7RA 0.428571 0.957747
342 0UM 0.427184 0.698795
343 GAV 0.427184 0.884615
344 QQY 0.426966 0.815789
345 1RB 0.426966 0.885714
346 ACK 0.426966 0.861111
347 G1R 0.425743 0.907895
348 GCP 0.425743 0.896104
349 FAM 0.425197 0.804598
350 FCX 0.425197 0.795455
351 ACO 0.425197 0.795455
352 GNH 0.424242 0.907895
353 F2N 0.423611 0.813953
354 GKE 0.422018 0.884615
355 GDD 0.422018 0.884615
356 GDC 0.422018 0.884615
357 HAX 0.421875 0.804598
358 3AD 0.421687 0.805556
359 9GM 0.421569 0.896104
360 GNP 0.421569 0.896104
361 FA9 0.42069 0.864198
362 TM1 0.420561 0.77381
363 KB1 0.420561 0.698795
364 H6Y 0.42 0.945205
365 2MC 0.419847 0.769231
366 3KK 0.418605 0.804598
367 FYN 0.418605 0.823529
368 S8M 0.417476 0.759494
369 7L1 0.417323 0.795455
370 2VA 0.416667 0.8
371 26A 0.416667 0.763158
372 NHD 0.416667 0.905405
373 QQX 0.41573 0.805195
374 CA6 0.415385 0.729167
375 OXK 0.415385 0.804598
376 COK 0.415385 0.804598
377 SOP 0.415385 0.804598
378 MCD 0.415385 0.804598
379 YE1 0.413534 0.813953
380 RMB 0.413043 0.873239
381 FAI 0.413043 0.916667
382 AS 0.413043 0.833333
383 CO6 0.412214 0.804598
384 1VU 0.412214 0.795455
385 CMC 0.412214 0.804598
386 NMX 0.412214 0.76087
387 SXZ 0.411215 0.710843
388 ANZ 0.410714 0.8
389 SCA 0.410448 0.804598
390 CAJ 0.409091 0.804598
391 SCD 0.409091 0.823529
392 EO7 0.408602 0.788235
393 D3Y 0.407767 0.789474
394 CC5 0.407407 0.816901
395 KH3 0.40708 0.674419
396 A C A C 0.406504 0.848101
397 SLU 0.406504 0.770115
398 G 0.40625 0.906667
399 5GP 0.40625 0.906667
400 A1S 0.406015 0.804598
401 IVC 0.406015 0.813953
402 MLC 0.406015 0.804598
403 3HC 0.406015 0.813953
404 1HE 0.406015 0.786517
405 BCO 0.406015 0.804598
406 GTG 0.405405 0.886076
407 NMN AMP PO4 0.404959 0.87013
408 3D1 0.404762 0.773333
409 3L1 0.404762 0.773333
410 2BA 0.404255 0.915493
411 CMP 0.404255 0.901408
412 VRT 0.40404 0.769231
413 SO8 0.40404 0.789474
414 MCA 0.402985 0.795455
415 COO 0.402985 0.804598
416 CAA 0.402985 0.813953
417 3NZ 0.401869 0.782051
418 G2R 0.401869 0.884615
419 ZZB 0.4 0.77381
420 2FA 0.4 0.813333
421 MC4 0.4 0.76087
422 2CP 0.4 0.795455
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4FG8; Ligand: ATP; Similar sites found with APoc: 487
This union binding pocket(no: 1) in the query (biounit: 4fg8.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1LES GLC FRU None
2 5EZU MYR None
3 2BOS GLA GAL None
4 6C1S EFV 1.26984
5 5VLQ ANP 1.26984
6 6F5W KG1 1.26984
7 1GSA ADP 1.5873
8 5VZ0 ADP 1.5873
9 3WXL ADP 1.5873
10 3BP1 GUN 1.72414
11 1Z2P ACP 1.90476
12 1Z2P I3S 1.90476
13 2PNC CLU 1.90476
14 5ZCT ANP 1.96078
15 4NZN ANP 2.22222
16 4NZN 2OU 2.22222
17 3TII ANP 2.22222
18 3VOT ADP 2.22222
19 2BKK ADP 2.27273
20 4RDL FUC GAL NDG FUC 2.27273
21 3TM0 B31 2.28137
22 3TM0 ANP 2.28137
23 2UYN 2KT 2.32558
24 2UYP PPI 2.32558
25 4CYI ATP 2.53968
26 2QK4 ATP 2.53968
27 4OCJ NDG 2.53968
28 4OCV ANP 2.53968
29 3WVR AMP 2.53968
30 3AKK ADP 2.53968
31 3ETH ATP 2.53968
32 3WO0 ADP 2.53968
33 3WO0 ALA 2.53968
34 1PK8 ATP 2.53968
35 4PZ6 GMP 2.53968
36 3ORQ ADP 2.53968
37 1M0W ANP 2.53968
38 2BMB PMM 2.53968
39 4CC6 L5Y 2.53968
40 1GPM AMP 2.53968
41 1AUX AGS 2.57235
42 4GLW 0XT 2.62295
43 3UDG TMP 2.65781
44 1NXJ GLV 2.73224
45 2OMN IPH 2.76498
46 3ZJX BOG 2.76817
47 3KIF GDL 2.83019
48 3VPD ANP 2.84698
49 5AE9 OKO 2.85714
50 2IO8 ADP 2.85714
51 2HGS ADP 2.85714
52 5OES ADP 2.85714
53 2YW2 ATP 2.85714
54 1OX5 1PR 2.85714
55 5IM3 DTP 2.85714
56 6EZ6 C5Z 2.85714
57 2YRX AMP 2.88248
58 5V1B 8UY 2.91667
59 5C1P ADP 2.94118
60 5C1P DAL DAL 2.94118
61 1IOW ADP 2.94118
62 1IOW PHY 2.94118
63 5T9C G3P 2.98507
64 1P0Z FLC 3.05344
65 4ZGP ADP 3.07167
66 2AQX ATP 3.11419
67 3DNT ATP 3.1746
68 2V58 LZJ 3.1746
69 4PU5 ANP 3.1746
70 3V4S ATP 3.1746
71 3V4S ADP 3.1746
72 1EHI ADP 3.1746
73 3ZXR P3S 3.1746
74 3ZXR IQ1 3.1746
75 1U6R IOM 3.1746
76 5L2R MLA 3.1746
77 2R7K ACP 3.1746
78 2R7K AMZ 3.1746
79 5TDF ADP 3.1746
80 2Q7D ANP 3.1746
81 3E7S AT2 3.1746
82 3RGA LSB 3.18021
83 4ZS4 ATP 3.25733
84 2FUE M1P 3.43511
85 4I9A NCN 3.47222
86 5C4L 4XR 3.49206
87 5C4L SIS 3.49206
88 3X01 AMP 3.49206
89 3TPV ADE 3.49206
90 5I35 ANP 3.80952
91 3I0O ADP 3.80952
92 2IF8 ADP 3.80952
93 2RI1 GLP 3.82979
94 2BQP GLC 3.84615
95 4NTO 1PW 3.86473
96 2J0B UDP 3.92857
97 2W5P CL8 4.02685
98 2P3C 3TL 4.0404
99 4U98 ACP 4.12698
100 5C8W PCG 4.1958
101 4GKY MAN 4.21456
102 6CGD AKN 4.2623
103 6CGD GNP 4.2623
104 1FFU FAD 4.29448
105 1ONI BEZ 4.34783
106 4XYM A12 4.34783
107 4XZ3 ACP 4.34783
108 2PUL ACP 4.44444
109 6FL8 ADP 4.44444
110 6FL8 TIY 4.44444
111 3G5S FAD 4.44444
112 3K5I ADP 4.4665
113 3K5I AIR 4.4665
114 5DYO FLU 4.58716
115 2G30 ALA ALA PHE 4.65116
116 4FE2 ADP 4.70588
117 6DW2 HD4 4.70588
118 3PA8 621 4.72441
119 3PDT ADP 4.72727
120 5FS0 5JC 4.73934
121 5DZT AMP 4.7619
122 1G51 AMP 4.7619
123 3KAL ADP 4.7619
124 1F52 ADP 4.7619
125 5K2M ADP 4.7619
126 3W21 AKG 4.7619
127 3OF1 CMP 4.87805
128 1OBD ATP 4.90196
129 5TV6 PML 5
130 5MW8 ATP 5.07937
131 3UDZ ADP 5.07937
132 5EQY 5RA 5.07937
133 4UWH JXM 5.07937
134 1MVQ MMA 5.08475
135 1SDW IYT 5.09554
136 3EW2 BTN 5.18518
137 1Y7P RIP 5.38117
138 5A5W GUO 5.39683
139 1HSR BHO 5.39683
140 1UNQ 4IP 5.6
141 1CBK ROI 5.625
142 4K55 H6P 5.64516
143 2PYW ADP 5.71429
144 2Z49 AMG 5.71429
145 4P8K 38C 5.71429
146 4P8K FAD 5.71429
147 1ZTH ADP 5.81395
148 1ZP9 ATP 5.81395
149 3RE4 TO1 5.81395
150 2GQR ADP 5.90717
151 3W0O HY0 6.03175
152 3W0O ADP 6.03175
153 4WOE ADP 6.03175
154 4WOE 3S5 6.03175
155 1F0X FAD 6.03175
156 5EJL C2E 6.04839
157 4JNJ BTN 6.08696
158 3LQV ADE 6.08696
159 3WG3 A2G GAL NAG FUC 6.17978
160 3TDV GDP 6.20915
161 2GQS ADP 6.32911
162 2VQD AP2 6.34921
163 4WW7 AMP 6.41711
164 2HJ9 AI2 6.66667
165 4P25 FUC GAL NAG FUC 6.95364
166 4OYA 1VE 6.98413
167 1MJT ITU 6.98413
168 3LVW GSH 6.98413
169 6G34 5ID 7.28291
170 4OUC 5ID 7.28291
171 4GYI ADP 7.30159
172 2VPQ ANP 7.30159
173 5N18 8HZ 7.33945
174 1KJ1 MAN 7.33945
175 4R78 AMP 7.44337
176 1P6O HPY 7.45342
177 2RDE C2E 7.56972
178 1VRP IOM 7.93651
179 2VQ5 HBA 7.9602
180 4JX1 CAH 7.9646
181 1OS7 AKG 8.12721
182 2ZL7 FUC GAL NGA 8.13559
183 2QX0 PH2 8.1761
184 1T36 ADP 8.25397
185 5KBE IPH 8.29694
186 3WDM ADN 8.42912
187 4EKQ NPO 8.55615
188 5KJW 53C 8.57143
189 5FCF GLY GLY GLY 8.57143
190 4XH0 ADP 8.88889
191 1E4E ADP 8.88889
192 6MJ7 ARG 9.09091
193 5YK1 ANP 9.20635
194 1I7L ATP 9.70874
195 5LXT ACP 9.79021
196 4O1P ANP 9.84127
197 1IA9 ANP 10
198 5WL1 D3D 10
199 5WL1 CUY 10
200 4O4F ATP 10.0806
201 4O4F IHP 10.0806
202 5HP8 PYR 10.4839
203 5N1X 8HH 11.0169
204 4NFE BEN 11.3924
205 1TZD ADP 11.6364
206 5YW5 ADE 11.7318
207 5C03 AGS 11.746
208 4WOV 3SM 11.746
209 3PN1 IVH 11.746
210 4LH7 1X8 11.746
211 3B6R CRN 11.746
212 5TVM PUT 11.7647
213 1M6P M6P 11.8421
214 6GNO XDI 11.8519
215 5CIC 51R 12.037
216 4OAV ACP 12.0635
217 1W2D 4IP 12.0755
218 1W2D ADP 12.0755
219 4DFU QUE 12.381
220 4LRJ ANP 12.426
221 4RF7 ARG 12.6984
222 1F9V ADP 12.6984
223 3VY6 BGC BGC 12.766
224 3HAV ATP 13.0435
225 5Y4R C2E 13.1034
226 4WJT NAG 13.1737
227 2O0J ADP 13.3333
228 3VPB ADP 13.4752
229 3VPC ADP 13.4752
230 3Q60 ATP 13.6508
231 5URY PAM 13.6986
232 2E27 AB0 14.2857
233 1TQP ATP 14.539
234 6AC9 ANP 14.9206
235 2CSN CKI 15.8249
236 1VBO MAN MAN MAN 16.1074
237 5JSP DQY 16.4179
238 4Q5H ANP 16.6667
239 4CS9 AMP 16.9312
240 1I1E DM2 17.1429
241 4I94 ANP 17.3333
242 5CKW ANP 17.4603
243 3PNA CMP 18.1818
244 1OFS SUC 18.75
245 4AZW ATP 19.0476
246 1XVB BHL BHL 19.0476
247 1BHX ASP PHE GLU GLU ILE 19.7279
248 4FL3 ANP 21.9048
249 3VHE 42Q 22.2222
250 4IX4 ADP 23.1746
251 3H0L ADP 23.4043
252 2QLU ADE 23.5669
253 6GZD LCI 24.127
254 5OKT 9XK 24.8408
255 5QIN J2V 26.0317
256 1VJY 460 26.0726
257 5W4W 9WG 26.284
258 4KBA 1QM 26.284
259 4E93 GUI 27.9365
260 3LXK MI1 28.8889
261 4CLI 5P8 29.2063
262 5GZ9 ANP 29.8361
263 5WNL STU 29.8413
264 4UXL 5P8 29.8413
265 6BFN DL1 29.8413
266 3H9R TAK 29.8413
267 3LXN MI1 30.1587
268 4EUU BX7 30.1587
269 3GNI ATP 30.1587
270 4G17 0VN 30.1587
271 5HES 032 30.2932
272 4GJ3 0XP 30.4636
273 4JR7 GNP 30.4762
274 5DMZ ADP 31.1111
275 5T8O 76Z 31.2321
276 4E1Z 0MX 31.2715
277 5CEO 50D 31.3333
278 5M06 ADP 31.5217
279 5HCY 60D 31.746
280 3PP0 03Q 31.746
281 5HVJ ANP 31.746
282 5WO4 B7V 31.7881
283 3SRV S19 32.13
284 6GIN IR2 32.2259
285 5UIU 8CG 32.5077
286 4F4P 0SB 32.6007
287 1U59 STU 32.7526
288 3E8N ATP 33.0159
289 3E8N VRA 33.0159
290 1JPA ANP 33.3333
291 4Y93 746 33.3333
292 6C7Y ADP 33.5664
293 3KRL KRL 33.6508
294 4BTK DTQ 33.6508
295 6GWR FEW 33.6508
296 5LPB ADP 33.7838
297 5EOB 5QQ 33.9683
298 4P5Z Q7M 33.9683
299 3C1X CKK 33.9683
300 5KO1 6UY 34.2756
301 3UIM ANP 34.2857
302 6A1G 9OL 34.2857
303 4NFN 2KC 34.3042
304 5VCV 1N1 34.4051
305 1BYG STU 34.5324
306 4YMJ 4EJ 34.5395
307 4XV1 904 34.589
308 4IDT T28 34.6032
309 3KMW ATP 34.6863
310 5MJA 7O3 35.082
311 3BZ3 YAM 35.1449
312 3PLS ANP 35.2349
313 4FF8 14S 35.2381
314 4M69 ANP 35.3357
315 3EKK GS2 35.5049
316 5U6C 7YS 35.5556
317 3GC8 B45 35.5556
318 6ES0 BW8 35.5556
319 6F3G CJN 35.5932
320 3BU5 ATP 35.6209
321 5NKB 8ZT 35.6209
322 4AT3 LTI 35.786
323 5OMY 9YE 35.8056
324 2RIO ADP 35.873
325 1Y57 MPZ 35.873
326 2H8H H8H 35.873
327 1IR3 ANP 35.9477
328 4CQE CQE 36.3309
329 5JFS 6K0 36.3636
330 4G31 0WH 36.4548
331 3VRY B43 36.5079
332 6GQM F8H 36.5079
333 4U0I 0LI 36.5079
334 5FBN 5WF 36.5314
335 4F9C 0SX 37.1191
336 2WQN ADP 37.4194
337 2Y6O 1N1 37.457
338 4Y0X ADP 37.4603
339 2PZI AXX 37.4603
340 1O9U ADZ 37.7778
341 3NW7 LGV 37.785
342 4RFM 3P6 37.9699
343 5USZ SKE 38.0623
344 2JLD AG1 38.0952
345 3F7Z 34O 38.0952
346 4NM5 ADP 38.0952
347 3ZRM ZRM 38.0952
348 4Y85 499 38.4127
349 4BHN BH9 38.7302
350 4AG8 AXI 38.7302
351 4ASE AV9 38.7302
352 1K3A ACP 38.796
353 5TO8 7FM 39.0071
354 5JGA 6KC 39.0476
355 4EWH T77 39.2727
356 3G5D 1N1 39.5105
357 3SLS ANP 39.8026
358 1U5R ATP 40
359 3FC2 IBI 40.3175
360 5TA6 79D 40.3175
361 3ORK AGS 40.5145
362 5N87 N66 40.5751
363 5UKL SIX 40.6349
364 3GC0 AMP 40.6349
365 3PVW QRX 40.9524
366 3ALN ANP 40.9524
367 4IJP 1EH 40.9524
368 5VC5 96M 41.1765
369 4Y8D 49J 41.2698
370 6E2O S0L 41.3559
371 2X2M X2M 41.4013
372 5Y80 IRE 41.5335
373 5DRB 5FJ 41.5808
374 6C0T EE4 41.5873
375 5DBX ANP 41.5873
376 6BXI ANP 41.5873
377 3CY2 MB9 41.7197
378 4N70 2HX 41.9048
379 5LPZ ADP 41.9048
380 4OH4 ANP 41.9048
381 5JKG 6LF 42.1222
382 4I6H 1C8 42.2078
383 3V8S 0HD 42.2222
384 5EFQ ADP 42.2222
385 3HMO STU 42.2222
386 5Y86 HRM 42.2222
387 4CFU 2WC 42.2442
388 6GUE FB8 42.3841
389 4BCM T7Z 42.5249
390 4BCQ TJF 42.5249
391 3SXS PP2 42.5373
392 4IZY 1J2 42.5397
393 2HK5 1BM 42.5926
394 4BCN T9N 42.6667
395 2XVD AS6 42.7152
396 4K33 ACP 42.8571
397 3TTI KBI 42.8571
398 5DH3 5BS 42.8571
399 5ZTN CUR 42.8571
400 3PTG 932 42.8571
401 3E7O 35F 42.8571
402 4WHZ 3NL 42.8571
403 2OFV 242 42.9603
404 5LMK 6ZK 43.0976
405 3RI1 3RH 43.131
406 1Q8Y ADP 43.1746
407 2PVF ACP 43.1746
408 3GQI ACP 43.1746
409 4NST ADP 43.1746
410 1Q8Y ADE 43.1746
411 5AWM ANP 43.1746
412 4NST AF3 43.1746
413 4CSV STI 43.2727
414 2XMY CDK 43.2886
415 4UX9 ANP 43.4921
416 4OTH DRN 43.4921
417 3DLS ADP 43.4921
418 2F57 23D 43.4921
419 2BPM 529 43.6893
420 5UR1 YY9 43.7299
421 4H3P ANP 43.8095
422 2B9H ADP 43.8095
423 1OUK 084 43.8095
424 2B9I ADP 43.8095
425 2B9J ADP 43.8095
426 4UAL 3FV 43.8095
427 4YZC STU 43.8095
428 4LOO SB4 43.8095
429 5BVE 4VG 43.8095
430 5EKO N17 43.8095
431 4QMN DB8 43.871
432 2A19 ANP 44.0141
433 6GU6 1QK 44.0397
434 5HQ0 LZ9 44.0397
435 3TKI S25 44.127
436 4H3Q ANP 44.127
437 5X8I SQZ 44.127
438 6G33 5ID 44.127
439 2B9F ADP 44.127
440 2HY0 306 44.127
441 5LI9 ACP 44.4444
442 5UPK ANP 44.4444
443 4QTB 38Z 44.4444
444 1ZY5 ANP 44.5545
445 5MY8 RXZ 44.7619
446 4DC2 ADE 44.7619
447 4TWP AXI 45.0185
448 4X7Q 3YR 45.1923
449 4YZN 4K5 45.2962
450 4WNK 453 45.3968
451 6FYL 3NG 45.3968
452 6FYV 3NG 45.3968
453 4CRL C1I 45.3968
454 1OPK P16 45.3968
455 2JDR L20 45.7143
456 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 45.7143
457 6CQF F97 45.7912
458 1V0O INR 45.8333
459 3O0G 3O0 45.8904
460 1UNH IXM 45.8904
461 2WU6 DKI 46.0317
462 1CM8 ANP 46.0317
463 4WB7 ATP 46.3492
464 4NW6 2NS 46.3492
465 3TXO 07U 46.6667
466 5LI1 ANP 46.9841
467 5EH0 5NW 47.2868
468 4WB6 ATP 47.3016
469 2R5T ANP 47.3016
470 4L9I 8PR 47.3016
471 4PNI KQQ 47.3016
472 2QCS ANP 47.619
473 5DEY 59T 47.8114
474 2GU8 796 47.9365
475 3FHI ANP 47.9365
476 2F2U M77 47.9365
477 3IDB ANP 47.9365
478 1RE8 BD2 47.9365
479 5IH9 6BF 48.254
480 5H2U 1N1 48.3146
481 3MVH WFE 48.5714
482 1XJD STU 49.2063
483 4L3L 5FI 49.3421
484 4A4X JUP 49.4624
485 4BFM ANP 49.5238
486 5LVP ATP 49.8392
487 3KN5 ANP 49.8413
488 4USF 6UI 50
Pocket No.: 2; Query (leader) PDB : 4FG8; Ligand: ATP; Similar sites found with APoc: 58
This union binding pocket(no: 2) in the query (biounit: 4fg8.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1U29 I3P None
2 1SWG BTN None
3 1T3D CYS 2.07612
4 5ENZ UDP 2.22222
5 2XN2 GLA 2.22222
6 5W75 SUC 2.22222
7 5T63 ALA ALA ALA ALA 2.22222
8 3BEO UDP 2.53968
9 6A5K SAM 2.53968
10 2GND MAN 2.77778
11 4AF0 MOA 2.85714
12 3ZX4 2M8 3.0888
13 3FSY SCA 3.1746
14 2TOH HBI 3.1746
15 1UPR 4IP 3.25203
16 5MRH Q9Z 3.49206
17 1GT4 UNA 3.77358
18 3UG4 AHR 3.80952
19 4AVB CMP 3.80952
20 5JM8 ATP 3.80952
21 3D91 REM 3.80952
22 5L6G XYP 4.12698
23 4D4U FUC NDG GAL FUC 4.12698
24 5LXB 7A9 4.54545
25 3KP6 SAL 4.63576
26 4WTV ATP 4.7619
27 2GRU EXO 4.7619
28 4M26 AKG 4.94506
29 4TVD BGC 5.07937
30 2XG5 EC2 5.9633
31 2XG5 EC5 5.9633
32 2GQS C2R 6.32911
33 2D3N GLC GLC GLC 6.34921
34 1EP2 FMN 6.51341
35 2YAJ 4HP 6.97674
36 6C0B PAM 7.05128
37 4XMF HSM 7.06522
38 5EQ0 5R0 PHE ALA LEU ELY 5R5 7.27273
39 5NC9 8SZ 7.28745
40 2CFM AMP 7.30159
41 3VSV XYS 7.61905
42 3VSV XYP 7.61905
43 4XF6 LIP 8.42491
44 4XF6 INS 8.42491
45 5IGI GMP 8.63787
46 5IGI ZIT 8.63787
47 1VC9 ATP 8.73016
48 4N14 WR7 8.9172
49 2CDO GAL AAL GAL AAL GAL AAL 9.375
50 2DUR MAN MAN 9.48617
51 1KJ8 GAR 9.52381
52 1KJ8 ATP 9.52381
53 4AVV CD 13.2353
54 3AB4 THR 14.0449
55 6DZN AE3 15.9292
56 4MN3 ACE PHE ALA TYR M3L SER NH2 17.8571
57 3I7V ATP 17.9104
58 1XVB BHL 19.0476
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