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Receptor
PDB id Resolution Class Description Source Keywords
3OCP 2.49 Å EC: 2.7.11.12 CRYSTAL STRUCTURE OF CAMP BOUND CGMP-DEPENDENT PROTEIN KINAS HOMO SAPIENS SERINE/THREONINE KINASE TF2I AND IRAG TRANSFERASE
Ref.: CO-CRYSTAL STRUCTURES OF PKG IBETA (92-227) WITH CG CAMP REVEAL THE MOLECULAR DETAILS OF CYCLIC-NUCLEOT BINDING PLOS ONE V. 6 E1841 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CMP A:250;
B:250;
Valid;
Valid;
none;
none;
Kd = 27 nM
329.206 C10 H12 N5 O6 P c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OCP 2.49 Å EC: 2.7.11.12 CRYSTAL STRUCTURE OF CAMP BOUND CGMP-DEPENDENT PROTEIN KINAS HOMO SAPIENS SERINE/THREONINE KINASE TF2I AND IRAG TRANSFERASE
Ref.: CO-CRYSTAL STRUCTURES OF PKG IBETA (92-227) WITH CG CAMP REVEAL THE MOLECULAR DETAILS OF CYCLIC-NUCLEOT BINDING PLOS ONE V. 6 E1841 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3OCP Kd = 27 nM CMP C10 H12 N5 O6 P c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3OCP Kd = 27 nM CMP C10 H12 N5 O6 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 3 families.
1 3OCP Kd = 27 nM CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 5C6C Kd = 418 nM CMP C10 H12 N5 O6 P c1nc(c2c(n....
3 5C8W Kd = 43.8 nM PCG C10 H12 N5 O7 P c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CMP; Similar ligands found: 93
No: Ligand ECFP6 Tc MDL keys Tc
1 2BA 1 0.984848
2 CMP 1 1
3 RP1 0.757143 0.928571
4 SP1 0.757143 0.928571
5 1YD 0.727273 0.902778
6 4BW 0.727273 0.902778
7 1SY 0.653061 0.902778
8 1OR 0.635294 0.807692
9 4UR 0.626263 0.902778
10 7CH 0.580247 0.984615
11 6SX 0.573171 0.953846
12 6SZ 0.559524 0.984848
13 N6R 0.535354 0.914286
14 N6S 0.535354 0.914286
15 PCG 0.534091 0.888889
16 35G 0.534091 0.888889
17 C2E 0.534091 0.902778
18 1YC 0.53 0.875
19 Y3J 0.506667 0.753623
20 XYA 0.5 0.826087
21 5CD 0.5 0.811594
22 ACK 0.5 0.897059
23 RAB 0.5 0.826087
24 ADN 0.5 0.826087
25 6SW 0.494382 0.9
26 5AD 0.493151 0.776119
27 5N5 0.486842 0.8
28 75G 0.483146 0.890411
29 A4D 0.480519 0.8
30 M2T 0.475 0.736842
31 MTA 0.469136 0.777778
32 CC5 0.466667 0.850746
33 EP4 0.4625 0.756757
34 DTA 0.45679 0.816901
35 QQX 0.452381 0.835616
36 LMS 0.447059 0.7875
37 AMP 0.447059 0.927536
38 QQY 0.447059 0.847222
39 A 0.447059 0.927536
40 3DH 0.440476 0.777778
41 3AM 0.435294 0.913043
42 A2D 0.431818 0.928571
43 J7C 0.431818 0.75
44 ABM 0.431818 0.901408
45 ZAS 0.430233 0.77027
46 7D7 0.428571 0.771429
47 S4M 0.426966 0.666667
48 SRA 0.425287 0.876712
49 6RE 0.425287 0.74026
50 3AD 0.425 0.838235
51 2AM 0.423529 0.9
52 BA3 0.422222 0.928571
53 A12 0.422222 0.864865
54 AP2 0.422222 0.864865
55 MAO 0.422222 0.740741
56 DSH 0.420455 0.727273
57 NEC 0.420455 0.726027
58 AOC 0.420455 0.802817
59 A3G 0.420455 0.780822
60 SFG 0.419355 0.753425
61 6JR 0.419048 0.927536
62 ADP 0.417582 0.901408
63 AP5 0.417582 0.928571
64 5AS 0.417582 0.741176
65 B4P 0.417582 0.928571
66 A3N 0.41573 0.767123
67 APC 0.414894 0.864865
68 AN2 0.413043 0.888889
69 SON 0.413043 0.864865
70 AT4 0.413043 0.864865
71 EEM 0.412371 0.691358
72 GJV 0.411111 0.730769
73 GGZ 0.41 0.78481
74 OVE 0.409091 0.863014
75 M33 0.408602 0.888889
76 ADX 0.408602 0.810127
77 AU1 0.408602 0.876712
78 CA0 0.408602 0.876712
79 A3P 0.406593 0.927536
80 5X8 0.404255 0.767123
81 ATP 0.404255 0.901408
82 ACP 0.404255 0.876712
83 HEJ 0.404255 0.901408
84 50T 0.404255 0.888889
85 ADP VO4 0.40404 0.888889
86 VO4 ADP 0.40404 0.888889
87 SAM 0.402062 0.691358
88 0UM 0.401961 0.7
89 AR6 0.4 0.901408
90 AQP 0.4 0.901408
91 5FA 0.4 0.901408
92 APR 0.4 0.901408
93 PRX 0.4 0.876712
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3OCP; Ligand: CMP; Similar sites found with APoc: 230
This union binding pocket(no: 1) in the query (biounit: 3ocp.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5RHN 8BR None
2 4O4Z N2O None
3 5DQ8 FLF None
4 3N1S 5GP None
5 4INI AMP None
6 3M3E GAL A2G NPO None
7 6FE1 V14 None
8 5KEW 6SB None
9 5ML3 DL3 None
10 4LRJ ANP None
11 3A51 VDY None
12 4O1M NAD None
13 4GBM A3P None
14 1K12 FUC None
15 3TTC ADP 1.43885
16 1WUU GLA 1.43885
17 4NFN 2KC 2.15827
18 4R5Z PMP 2.15827
19 5M06 ADP 2.15827
20 5FIT AP2 2.15827
21 1OPK P16 2.8777
22 3LA3 2FT 2.8777
23 3THR C2F 2.8777
24 3B6C SDN 2.8777
25 1ULE GLA GAL NAG 2.8777
26 4LIK CIT 2.8777
27 3V8S 0HD 2.8777
28 3UIM ANP 2.8777
29 4PLT NAI 2.8777
30 4PLT OXM 2.8777
31 5KD6 6C7 2.8777
32 4F7E 0SH 3.06122
33 5WA9 9ZD 3.10078
34 5QIN J2V 3.59712
35 5BVE 4VG 3.59712
36 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 3.59712
37 4MZU COA 3.59712
38 2O4C NAD 3.59712
39 6CEP OXM 3.59712
40 6CEP NAD 3.59712
41 3GC8 B45 3.59712
42 4L9I 8PR 3.59712
43 1I7L ATP 3.59712
44 5JGA 6KC 4.31655
45 4NW6 2NS 4.31655
46 4ONA UW1 4.31655
47 4USF 6UI 4.31655
48 1OUK 084 4.31655
49 1RYO OXL 4.31655
50 2WLG SOP 4.31655
51 3MTX PGT 4.31655
52 3E7O 35F 4.31655
53 6BXI ANP 4.31655
54 2PVF ACP 4.31655
55 4AUA 4AU 4.31655
56 4IDT T28 4.31655
57 4WW8 VD9 4.31655
58 4MCC 21X 4.31655
59 5F2T PLM 4.31655
60 5T8O 76Z 4.31655
61 1Q8Y ADE 4.31655
62 2HJR APR 4.31655
63 6ES0 BW8 4.31655
64 2X5W K2B 4.31655
65 2YJ0 420 4.34783
66 4GJ3 0XP 5.03597
67 6GQM F8H 5.03597
68 2Y6O 1N1 5.03597
69 6AMI TRP 5.03597
70 3A76 SPD 5.03597
71 4FL3 ANP 5.03597
72 6CI9 NAP 5.03597
73 5UI2 SUC 5.03597
74 4OAV ACP 5.03597
75 5O0B 9FE 5.03597
76 3MVH WFE 5.03597
77 3SRV S19 5.03597
78 2YAK OSV 5.03597
79 1WD4 AHR 5.03597
80 4YMJ 4EJ 5.03597
81 4EWH T77 5.7554
82 4ASE AV9 5.7554
83 5HCY 60D 5.7554
84 2WEI VGG 5.7554
85 2XK9 XK9 5.7554
86 1RRC ADP 5.7554
87 6GU6 1QK 5.7554
88 1BZY IMU 5.7554
89 3EEL 53T 5.7554
90 3IT1 TLA 5.7554
91 4UX9 ANP 5.7554
92 3WXL ADP 5.7554
93 1HZP DAO 5.7554
94 6D61 4AA 5.7554
95 2B9H ADP 5.7554
96 3C0G 3AM 5.7554
97 2B9J ADP 5.7554
98 4CZ1 VNJ 5.7554
99 2B9F ADP 5.7554
100 5E2N V14 5.7554
101 4C2V YJA 6.47482
102 5EYK 5U5 6.47482
103 4X1B MLI 6.47482
104 1PN0 IPH 6.47482
105 4BCM T7Z 6.47482
106 5H2U 1N1 6.47482
107 1PN0 FAD 6.47482
108 4D52 GXL 6.47482
109 4C2W ANP 6.47482
110 5C9P FUC 6.47482
111 4H8N NDP 6.47482
112 4YHQ G10 7.07071
113 3NWQ 2NC 7.07071
114 5T2Z 017 7.07071
115 5VCV 1N1 7.19424
116 2I0K FAD 7.19424
117 4Z1D PEP 7.19424
118 3CY2 MB9 7.19424
119 4LH7 1X8 7.19424
120 1O6B ADP 7.19424
121 6GIN IR2 7.19424
122 1GUZ NAD 7.19424
123 1VJY 460 7.91367
124 5NKB 8ZT 7.91367
125 5FBN 5WF 7.91367
126 2CM4 RCL 7.91367
127 5UIU 8CG 7.91367
128 3CV6 HXS 7.91367
129 3CV6 NAP 7.91367
130 5K2M ADP 7.91367
131 1Z03 OCH 7.91367
132 5N87 N66 8.63309
133 5LXT GTP 8.63309
134 5X8I SQZ 8.63309
135 4Y0X ADP 8.63309
136 3TXO 07U 8.63309
137 1LCF OXL 8.63309
138 5CEO 50D 8.63309
139 5XFV FMN 8.63309
140 3F7Z 34O 8.63309
141 5LXT ACP 8.63309
142 3SXS PP2 9.35252
143 5HES 032 9.35252
144 2XVD AS6 9.35252
145 5MJA 7O3 9.35252
146 4I94 ANP 9.35252
147 1T9D P22 9.35252
148 2J5V PCA 9.35252
149 5JFS 6K0 10.0719
150 4Z7X 3CX 10.0719
151 5W4W 9WG 10.0719
152 1LN1 DLP 10.0719
153 1WNB BTL 10.7914
154 3VMG 9CA 10.7914
155 4P83 U5P 10.7914
156 3FSM 2NC 10.7914
157 3KA2 2NC 10.7914
158 2YC5 6BC 10.7914
159 1LDN NAD 10.7914
160 6GZD LCI 11.5108
161 4WOE 3S5 11.5108
162 4TVD BGC 11.5108
163 4K7O EKZ 11.5108
164 4O1P ANP 11.5108
165 3GGF GVD 11.5108
166 1VPV PLM 11.5108
167 4U0I 0LI 12.2302
168 4TM3 FAD 12.2302
169 4JGT PYR 12.2302
170 2HY0 306 12.2302
171 1ZP9 ATP 12.2302
172 2VZ6 FEF 12.9496
173 3HZT J60 12.9496
174 5ECP JAA 12.9496
175 5ECP ATP 12.9496
176 4E93 GUI 12.9496
177 3PP0 03Q 13.6691
178 2VN9 GVD 13.6691
179 2X2M X2M 13.6691
180 1YQZ FAD 13.6691
181 2FLI DX5 13.6691
182 4Z87 GDP 13.6691
183 1Q19 SSC 14.3885
184 5LVP ATP 14.3885
185 5YIC 8VO 15.1079
186 4XV1 904 15.8273
187 4CQE CQE 15.8273
188 2OFV 242 15.8273
189 2H8H H8H 15.8273
190 3G5D 1N1 15.8273
191 1RM6 PCD 15.8273
192 3VRY B43 16.5468
193 2HK5 1BM 16.5468
194 4BHN BH9 16.5468
195 1A8P FAD 16.5468
196 4BTK DTQ 16.5468
197 3NW7 LGV 17.2662
198 4CSV STI 17.2662
199 3IGO ANP 18.705
200 1GSA ADP 18.705
201 5ODQ 9SB 18.705
202 4Y8D 49J 20.1439
203 4X7Q 3YR 21.5827
204 3ZRM ZRM 25
205 2XHK AKG 25.8993
206 2XKO AKG 25.8993
207 3CF6 SP1 28.0576
208 4OH4 ANP 28.0576
209 3KCC CMP 28.777
210 4N9I PCG 28.777
211 3RUG DB6 28.777
212 4NVP 7CH 29.4964
213 2PTM CMP 30.2158
214 4AVB CMP 30.9353
215 3DAK ANP 31.6547
216 3SLS ANP 31.6547
217 5H5O PCG 32.5581
218 4CYD CMP 33.0935
219 3BU5 ATP 33.3333
220 5KJZ PCG 35.2518
221 4MUV PCG 35.9712
222 3ALN ANP 35.9712
223 3I54 CMP 37.4101
224 3I59 N6S 37.4101
225 3I59 N6R 37.4101
226 5K8S CMP 38.8489
227 3OF1 CMP 46.7626
228 5KBF CMP 48.2014
229 1CX4 CMP 48.2014
230 3IDB ANP 48.2014
Pocket No.: 2; Query (leader) PDB : 3OCP; Ligand: CMP; Similar sites found with APoc: 136
This union binding pocket(no: 2) in the query (biounit: 3ocp.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2C3W GLC GLC GLC GLC None
2 1DCP HBI None
3 3G5K BB2 None
4 5LW0 AR6 None
5 5WQP NAP None
6 1IK4 PGH None
7 2WPU KYT None
8 4GAH 0ET None
9 2C94 TSF None
10 1ZY5 ANP 1.43885
11 5YAK FMN 1.43885
12 5K21 6QF 2.15827
13 4A59 AMP 2.15827
14 2BP1 NDP 2.8777
15 2C91 NAP 2.8777
16 3NOJ PYR 2.8777
17 1M7G ADX 2.8777
18 4GN8 ASO 2.8777
19 6A1G 9OL 3.59712
20 1PZG A3D 3.59712
21 3RDE OYP 3.59712
22 5L0U 660 3.59712
23 4ZU4 4TG 3.59712
24 4LOO SB4 4.31655
25 5KOX RFP 4.31655
26 4PLG OXM 4.31655
27 4PLG NAI 4.31655
28 4X17 SIA SIA 4.31655
29 5A7V BMA 4.31655
30 5A7V MAN 4.31655
31 3WXM GTP 4.31655
32 5EYP GDP 4.31655
33 4L3L 5FI 4.31655
34 5FOI MY8 4.31655
35 1VCE SAH 4.31655
36 3EHG ATP 4.6875
37 5A6N U7E 5.03597
38 1PK8 ATP 5.03597
39 4M52 M52 5.03597
40 5UAO FAD 5.03597
41 4WNP 3RJ 5.03597
42 5UBG PRT 5.03597
43 5U6C 7YS 5.03597
44 3VPD ANP 5.03597
45 2CWH NDP 5.03597
46 2CWH PYC 5.03597
47 4OTH DRN 5.7554
48 2B9I ADP 5.7554
49 4JR7 GNP 5.7554
50 4JD3 PLM 5.7554
51 4JD3 COA 5.7554
52 4Z9D NAD 5.7554
53 6G28 AR6 5.7554
54 5NUE NAD 5.7554
55 3WSJ MK1 6.03448
56 6CZ3 FLJ 6.47482
57 2XZ9 PYR 6.47482
58 6GUE FB8 6.47482
59 3FSY SCA 6.47482
60 3FW3 ETS 6.47482
61 1J5P NAD 6.47482
62 5KKA 6V0 6.47482
63 5CDH TLA 6.47482
64 3SM2 478 6.81818
65 3KYO LYS LEU PRO ALA GLN PHE TYR ILE LEU 7
66 3MWS 017 7.07071
67 3S43 478 7.07071
68 6C99 EQY 7.07071
69 4LAE NAP 7.19424
70 4LAE 1VM 7.19424
71 5ODT ADP 7.19424
72 4AU8 Z3R 7.19424
73 2AWN ADP 7.19424
74 4F9C 0SX 7.19424
75 2RIO ADP 7.19424
76 5L8L ADP 7.19424
77 2CDO GAL AAL GAL AAL GAL AAL 7.19424
78 5WS9 AMP 7.19424
79 1FMB HYB 7.69231
80 4TWP AXI 7.91367
81 5U98 1KX 7.91367
82 3CTL S6P 7.91367
83 2FXV 5GP 7.91367
84 2FHK MFN 7.91367
85 5E5U MLT 7.91367
86 5ZTN CUR 7.91367
87 2AJ4 ANP 7.91367
88 6FYV 3NG 8.63309
89 5K04 COA 8.63309
90 1FFU CDP 8.63309
91 5JZJ AN2 9.35252
92 4WW7 AMP 9.35252
93 6GWR FEW 9.35252
94 4WEI GLC GAL 9.35252
95 5WNL STU 10.0719
96 1G8K MGD 10.0719
97 2ICY UPG 10.0719
98 1SIV PSI 10.101
99 5MY8 RXZ 10.7914
100 1QD1 FON 10.7914
101 5T79 NDP 10.7914
102 1TT8 PHB 10.7914
103 1SOW NAD 10.7914
104 4Q5M ROC 10.7914
105 1IDA 0PO 11.1111
106 5XLY C2E 11.2782
107 3W0O ADP 11.5108
108 3W0O HY0 11.5108
109 1V0O INR 12.2302
110 3RE4 TO1 12.2302
111 4U44 3D9 12.2302
112 1ZTH ADP 12.2302
113 5DEY 59T 12.9496
114 2ZV2 609 12.9496
115 2P1C GG3 12.9496
116 2V7O DRN 13.6691
117 2EQA AMP 13.6691
118 2VUT NAD 13.6691
119 1TI7 NAP 13.6691
120 2WEL K88 13.6691
121 4NJS G08 14.1414
122 1U5R ATP 14.3885
123 6FNU FAD 14.3885
124 2IGA XX2 15.8273
125 2IGA XX3 15.8273
126 1IT7 GUN 17.9856
127 5LPZ ADP 17.9856
128 2YQS UD1 17.9856
129 1EQ2 NAP 18.705
130 2X6T NAP 18.705
131 4WO4 JLS 20.8633
132 2OOR TXP 22.3022
133 5G5W R8C 23.0216
134 3CRZ NAP 25.8993
135 5Y80 IRE 30.2158
136 5MRH Q9Z 30.9353
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