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Receptor
PDB id Resolution Class Description Source Keywords
1CX4 2.45 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF A DELETION MUTANT OF THE TYPE II BETA REGULATORY SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE RATTUS NORVEGICUS BETA BARREL CAMP-DEPENDENT PROTEIN KINASE CAMP-BINDING REGULATORY SUBUNIT SIGNALING PROTEIN
Ref.: MOLECULAR BASIS FOR REGULATORY SUBUNIT DIVERSITY IN CAMP-DEPENDENT PROTEIN KINASE: CRYSTAL STRUCTURE OF THE TYPE II BETA REGULATORY SUBUNIT. STRUCTURE V. 9 73 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CMP A:440;
A:450;
Valid;
Valid;
none;
none;
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329.206 C10 H12 N5 O6 P c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CX4 2.45 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF A DELETION MUTANT OF THE TYPE II BETA REGULATORY SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE RATTUS NORVEGICUS BETA BARREL CAMP-DEPENDENT PROTEIN KINASE CAMP-BINDING REGULATORY SUBUNIT SIGNALING PROTEIN
Ref.: MOLECULAR BASIS FOR REGULATORY SUBUNIT DIVERSITY IN CAMP-DEPENDENT PROTEIN KINASE: CRYSTAL STRUCTURE OF THE TYPE II BETA REGULATORY SUBUNIT. STRUCTURE V. 9 73 2001
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 1CX4 - CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 4JVA - 1OR C16 H24 N5 O6 P CCCN(CCC)c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1CX4 - CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 4JVA - 1OR C16 H24 N5 O6 P CCCN(CCC)c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 3OF1 - CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 1CX4 - CMP C10 H12 N5 O6 P c1nc(c2c(n....
3 4JVA - 1OR C16 H24 N5 O6 P CCCN(CCC)c....
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 : 1CX4; Ligand: CMP; Similar sites found with APoc: 132
This union binding pocket(no: 1) in the query (biounit: 1cx4.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3VV1 GAL FUC None
2 5F6U 5VK 1.27389
3 1ONI BEZ 1.44928
4 5JGA 6KC 1.63934
5 5KOX RFP 1.63934
6 4D52 GXL 1.63934
7 4D52 GIV 1.63934
8 1GA8 UPF 1.63934
9 1GA8 DEL 1.63934
10 3EKK GS2 1.96721
11 5HES 032 1.96721
12 5IH9 6BF 1.96721
13 5UR1 YY9 1.96721
14 4U0I 0LI 1.96721
15 3PP0 03Q 1.96721
16 2HJR APR 1.96721
17 4AU8 Z3R 2.02703
18 5IDB BMA 2.11268
19 1RJW ETF 2.29508
20 5EO8 TFU 2.29508
21 5JFS 6K0 2.29508
22 4P5Z Q7M 2.29508
23 4LIK CIT 2.29508
24 6BQ6 TER 2.29508
25 5E58 CPZ 2.29508
26 3M3E GAL A2G NPO 2.48447
27 4Z7X 3CX 2.52101
28 2OFV 242 2.52708
29 3E8N VRA 2.62295
30 3E8N ATP 2.62295
31 1OUK 084 2.62295
32 4EUU BX7 2.62295
33 2XVD AS6 2.64901
34 5QIN J2V 2.95082
35 4YZC STU 2.95082
36 5F90 GLA GAL BGC 5VQ 3.20513
37 1Q19 SSC 3.27869
38 1T9D P22 3.27869
39 2C78 PUL 3.27869
40 6DZN AE3 3.53982
41 5ECP ATP 3.58744
42 2Q4W FAD 3.60656
43 5X20 AOT 3.60656
44 6FNU FAD 3.60656
45 6F9G PUT 3.60656
46 3NOJ PYR 3.78151
47 2YMZ LAT 3.84615
48 3V66 D3A 3.93443
49 3KA2 2NC 3.93443
50 1H6H PIB 4.1958
51 2GKS ADP 4.2623
52 3O9Z AKG 4.2623
53 3O9Z NAD 4.2623
54 1TZD ADP 4.36364
55 5E5U MLT 4.54545
56 4AG8 AXI 4.59016
57 1OFZ FUC 4.59016
58 1OFZ FUL 4.59016
59 3VHE 42Q 4.59016
60 2X2M X2M 4.59016
61 4OB6 S2T 4.59016
62 3SXS PP2 4.85075
63 4WOE 3S5 4.91803
64 4X1B MLI 5.2459
65 4C2V YJA 5.26316
66 4JGT PYR 5.35117
67 3WV6 GAL GLC 5.40541
68 3WV6 GAL BGC 5.40541
69 4XV1 904 5.47945
70 3RG9 WRA 5.83333
71 3RG9 NDP 5.83333
72 2J5V PCA 5.90164
73 4USF 6UI 5.92105
74 1LNX URI 6.17284
75 1Z0N BCD 6.25
76 4RYV ZEA 6.45161
77 3WCZ NAP 6.55738
78 3H9R TAK 6.55738
79 4B4U NAP 6.60066
80 4TWP AXI 6.64207
81 4YEE 4CQ 6.66667
82 2YAK OSV 6.66667
83 4YEF 4CQ 6.74157
84 3W8X FTK 6.88525
85 3W8X FAD 6.88525
86 4FJU NAI 6.88525
87 4B1M FRU FRU 7.02703
88 6C7Y ADP 7.34266
89 2DUR MAN MAN 7.50988
90 2XDQ MGX 7.54098
91 3E7O 35F 7.54098
92 5V3D FCN 7.58621
93 6MDE MEV 7.59076
94 4GKY MAN 7.66284
95 3JUC PCA 7.84314
96 4KYS VIB 8.19672
97 5WRE 7TL 8.3871
98 3VRY B43 8.52459
99 4ZOH MCN 8.52459
100 3NV3 GAL NAG MAN 9.42029
101 4J5R A1R 9.58904
102 2HK5 1BM 9.62963
103 2YC5 6BC 9.64912
104 4LNU GDP 10.1639
105 4OYA 1VE 10.4918
106 5DG2 GAL GLC 11.1111
107 1D8C GLV 11.1475
108 5H2U 1N1 11.6105
109 4AVB CMP 12.459
110 3ZLR X0B 14.557
111 3KCC CMP 15.3846
112 3LA3 2FT 16.8724
113 2D6M LBT 16.9811
114 4CYD CMP 17.7778
115 4N9I PCG 19.0476
116 2XKO AKG 19.3694
117 2XHK AKG 19.3694
118 3I54 CMP 20.8835
119 3I59 N6S 20.8835
120 3I59 N6R 20.8835
121 3CF6 SP1 23.2787
122 4NVP 7CH 23.445
123 2PTM CMP 29.2929
124 5H5O PCG 37.2093
125 4MUV PCG 37.3239
126 4KU7 PCG 39.8693
127 3SHR CMP 42.1405
128 4OFG PCG 43.0556
129 5JAX 6J7 45.1852
130 5BV6 35G 47.3684
131 3OCP CMP 48.2014
132 5C8W PCG 48.2517
Pocket No.: 2; Query (leader) PDB : 1CX4; Ligand: CMP; Similar sites found with APoc: 82
This union binding pocket(no: 2) in the query (biounit: 1cx4.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 6F3G CJN 1.35593
3 3B8I OXL 1.39373
4 1WUU GLA 1.63934
5 2EVL GAL SPH EIC 1.91388
6 3T3Z 9PL 1.96721
7 5WKR NAR 2.24215
8 2XZ9 PYR 2.29508
9 5CDH TLA 2.29508
10 1VB3 KPA 2.29508
11 5JKG 6LF 2.62295
12 4TM3 FAD 2.62295
13 2YKX AKG 2.62295
14 4O8A 2OP 2.62295
15 4RQL SNE 2.95082
16 1WD4 AHR 3.27869
17 4WZ8 3W7 3.27869
18 3BIB PSF 3.44828
19 3U1T MLI 3.60656
20 1VBH PEP 3.60656
21 4JWK CTN 3.62694
22 1OCU PIB 3.7037
23 2V5K OXM 3.83275
24 5UGW GSH 4
25 5BOE PEP 4.0724
26 4URG C2E 4.19162
27 1V97 FAD 4.2623
28 3NRZ FAD 4.2623
29 1FIQ FAD 4.2623
30 3MDV CL6 4.2623
31 4V3I ASP LEU THR ARG PRO 4.28016
32 4B5W PYR 4.29688
33 1LVW TYD 4.40678
34 4X17 SIA SIA 4.41176
35 4TVD BGC 4.59016
36 4ASE AV9 4.59016
37 4QMN DB8 4.59016
38 5G5G FAD 4.59016
39 5O4J SAH 4.74453
40 5O4J PJL 4.74453
41 3BWR GAL NGA SIA GAL BGC 4.77941
42 1KQR MNA 5.02793
43 1NW4 IMH 5.07246
44 1R6N 434 5.21327
45 3B9Z CO2 5.2459
46 2AL2 2PG 5.57377
47 2AL2 PEP 5.57377
48 5HCY 60D 5.90164
49 1Q9I TEO 6.22951
50 1Q9I FAD 6.22951
51 1XX4 BAM 6.51341
52 5HVJ ANP 6.55738
53 3MMH SME 6.58683
54 4X8O AP5 7.00935
55 1IT7 GUN 7.21311
56 1V1A KDG 7.21311
57 4CS9 AMP 7.40741
58 2JC9 ADN 7.54098
59 1AKY AP5 7.72727
60 3AB4 THR 8.42697
61 5FII PHE 8.82353
62 4RJD TFP 9.09091
63 6BGC BGC 9.18033
64 5CAD PCA 9.18033
65 5Y80 IRE 9.45946
66 4X5S AZM 9.48276
67 5FQK 6NT 9.66543
68 5LXT 7AK 10.1639
69 4Y8D 49J 10.1639
70 3A4M ADP 10.3846
71 2JFZ 003 10.5882
72 2JFZ DGL 10.5882
73 5H20 GLC 11.7117
74 2WLG SOP 12.093
75 4LOO SB4 13.4426
76 1HBK COA 13.4831
77 5N18 8HZ 17.4312
78 3KIF GDL 17.9245
79 5Y6Q FAD 18.5185
80 2B4B B33 19.2982
81 2GN2 C5P 19.3443
82 4WGF HX2 22.9268
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