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Receptor
PDB id Resolution Class Description Source Keywords
1CKN 2.5 Å EC: 2.7.7.50 STRUCTURE OF GUANYLYLATED MRNA CAPPING ENZYME COMPLEXED WITH GTP PARAMECIUM BURSARIA CHLORELLA VIRUS 1 MRNA CAPPING ENZYME NUCLEOTIDYLTRANSFERASE
Ref.: X-RAY CRYSTALLOGRAPHY REVEALS A LARGE CONFORMATIONAL CHANGE DURING GUANYL TRANSFER BY MRNA CAPPING ENZYMES. CELL(CAMBRIDGE,MASS.) V. 89 545 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTP A:899;
Valid;
none;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
MN B:1001;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
SO4 B:1000;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CKN 2.5 Å EC: 2.7.7.50 STRUCTURE OF GUANYLYLATED MRNA CAPPING ENZYME COMPLEXED WITH GTP PARAMECIUM BURSARIA CHLORELLA VIRUS 1 MRNA CAPPING ENZYME NUCLEOTIDYLTRANSFERASE
Ref.: X-RAY CRYSTALLOGRAPHY REVEALS A LARGE CONFORMATIONAL CHANGE DURING GUANYL TRANSFER BY MRNA CAPPING ENZYMES. CELL(CAMBRIDGE,MASS.) V. 89 545 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1CKN - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1CKN - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1CKN - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTP; Similar ligands found: 156
No: Ligand ECFP6 Tc MDL keys Tc
1 GTP 1 1
2 GP3 0.921053 0.973684
3 GDP 0.909091 1
4 GSP 0.853659 0.948718
5 GNH 0.82716 0.986667
6 G1R 0.819277 0.986667
7 GAV 0.811765 0.961039
8 9GM 0.809524 0.973684
9 GNP 0.809524 0.973684
10 GCP 0.797619 0.973684
11 5GP 0.797468 0.986486
12 G 0.797468 0.986486
13 GMV 0.764706 0.973684
14 G2R 0.764045 0.961039
15 G5P 0.755319 0.973684
16 GTG 0.752688 0.936709
17 G2P 0.747126 0.961039
18 G3A 0.744681 0.973684
19 GDD 0.741935 0.961039
20 GDC 0.741935 0.961039
21 GKE 0.741935 0.961039
22 0O2 0.736264 0.986486
23 GP2 0.729412 0.961039
24 6CK 0.726316 0.936709
25 Y9Z 0.723404 0.902439
26 GPG 0.717391 0.961039
27 GFB 0.715789 0.961039
28 GDR 0.715789 0.961039
29 GPD 0.704082 0.925
30 GKD 0.693878 0.961039
31 JB2 0.693878 0.961039
32 GDX 0.686869 0.973684
33 ALF 5GP 0.685393 0.888889
34 GH3 0.681319 0.973333
35 YGP 0.677083 0.901235
36 G3D 0.67033 0.986486
37 GDP AF3 0.659574 0.888889
38 ALF GDP 0.659574 0.888889
39 GDP ALF 0.659574 0.888889
40 DGT 0.659341 0.923077
41 GMP 0.658228 0.88
42 G4P 0.655914 0.986486
43 JB3 0.653846 0.948718
44 NGD 0.647619 0.961039
45 CAG 0.642202 0.880952
46 2MD 0.62963 0.891566
47 MGP 0.619565 0.961039
48 U2G 0.616822 0.936709
49 6G0 0.612903 0.961039
50 MGD 0.612613 0.891566
51 TPG 0.608696 0.840909
52 CG2 0.605505 0.936709
53 GDP 7MG 0.601942 0.911392
54 FEG 0.601852 0.879518
55 G G 0.598039 0.948052
56 ZGP 0.59633 0.869048
57 PGD 0.591304 0.925
58 MD1 0.591304 0.891566
59 3GP 0.590909 0.946667
60 GPX 0.581633 0.946667
61 DGI 0.580645 0.923077
62 IDP 0.576087 0.972973
63 DBG 0.567797 0.948718
64 2GP 0.555556 0.96
65 FE9 0.555556 0.776596
66 G4M 0.547619 0.880952
67 BGO 0.544643 0.924051
68 GCP G 0.543689 0.921053
69 ATP 0.537634 0.92
70 HEJ 0.537634 0.92
71 G1G 0.533898 0.925
72 AQP 0.531915 0.92
73 5FA 0.531915 0.92
74 A G 0.525862 0.935065
75 G A A A 0.525862 0.923077
76 U A G G 0.521368 0.935065
77 HFD 0.520833 0.873418
78 R5I 0.520408 0.946667
79 R7I 0.520408 0.946667
80 01G 0.518868 0.902439
81 P2G 0.510638 0.883117
82 ITT 0.510638 0.868421
83 AKW 0.504348 0.890244
84 GGM 0.504274 0.901235
85 G1R G1R 0.504065 0.924051
86 DGP 0.5 0.910256
87 PGD O 0.5 0.850575
88 MGO 0.5 0.864198
89 DG 0.5 0.910256
90 P1G 0.5 0.871795
91 GTA 0.495495 0.936709
92 PRT 0.490741 0.959459
93 B4P 0.489362 0.894737
94 AP5 0.489362 0.894737
95 IMP 0.489362 0.959459
96 G U 0.487179 0.9
97 7DT 0.484536 0.906667
98 GPC 0.479339 0.879518
99 G C 0.478992 0.9
100 BA3 0.478723 0.894737
101 ADP 0.473684 0.92
102 G2Q 0.471698 0.961039
103 6YZ 0.470588 0.896104
104 G7M 0.46875 0.948052
105 C1Z 0.462963 0.986486
106 25L 0.458716 0.907895
107 A2D 0.457447 0.894737
108 RGT 0.45045 0.909091
109 AGS 0.45 0.873418
110 SAP 0.45 0.873418
111 SGP 0.44898 0.82716
112 A4P 0.445378 0.869048
113 G G G RPC 0.442623 0.875
114 ANP 0.441176 0.896104
115 ACQ 0.441176 0.896104
116 8GT 0.441176 0.875
117 APC G U 0.44 0.886076
118 AT4 0.438776 0.884615
119 G U34 0.438017 0.888889
120 6AD 0.436893 0.841463
121 G G G C 0.433071 0.9125
122 UP5 0.432203 0.873418
123 PCG 0.431373 0.933333
124 C2E 0.431373 0.921053
125 35G 0.431373 0.933333
126 A G C C 0.429688 0.911392
127 T99 0.427184 0.884615
128 5GP 5GP 0.427184 0.883117
129 TAT 0.427184 0.884615
130 AR6 0.425743 0.894737
131 APR 0.425743 0.894737
132 7DD 0.424242 0.906667
133 AN2 0.424242 0.907895
134 DG DG 0.423423 0.865854
135 AD9 0.421569 0.896104
136 M33 0.42 0.883117
137 7D4 0.42 0.835443
138 UCG 0.419847 0.911392
139 HDV 0.419048 0.825
140 H6Y 0.419048 0.946667
141 G C C C 0.416667 0.924051
142 ACP 0.415842 0.896104
143 T5A 0.414634 0.802326
144 A1R 0.412844 0.839506
145 ADQ 0.412844 0.871795
146 MGQ 0.412844 0.935897
147 A3R 0.412844 0.839506
148 MGT 0.411215 0.823529
149 A G U 0.410072 0.888889
150 93A 0.41 0.833333
151 A22 0.407407 0.907895
152 CA0 0.405941 0.896104
153 ATF 0.40566 0.884615
154 AGO 0.404762 0.888889
155 MGV 0.401786 0.890244
156 CGP 0.4 0.86747
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CKN; Ligand: GTP; Similar sites found with APoc: 180
This union binding pocket(no: 1) in the query (biounit: 1ckn.bio4) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1I7L ATP 1.61812
2 1IOW ADP 1.63399
3 1IOW PHY 1.63399
4 1IA9 ANP 1.78571
5 4NZN ANP 1.81818
6 4NZN 2OU 1.81818
7 2JLD AG1 1.81818
8 3ZRM ZRM 1.81818
9 5X8I SQZ 1.81818
10 6G33 5ID 1.81818
11 3F7Z 34O 1.81818
12 5OES ADP 1.81818
13 4NM5 ADP 1.81818
14 2XK9 XK9 1.86335
15 4UXL 5P8 1.86335
16 1VJY 460 1.9802
17 5VC5 96M 2.07612
18 4F9C 0SX 2.08333
19 4AZW ATP 2.12121
20 2RIO ADP 2.12121
21 6C0T EE4 2.12121
22 1T36 ADP 2.12121
23 6EZ6 C5Z 2.12121
24 4UAL 3FV 2.12121
25 3HZT J60 2.12121
26 3WO0 ADP 2.12121
27 3WO0 ALA 2.12121
28 6BXI ANP 2.12121
29 3AKK ADP 2.15385
30 3BZ3 YAM 2.17391
31 6GWR FEW 2.22222
32 1EWF PC1 2.42424
33 3W0O ADP 2.42424
34 3W0O HY0 2.42424
35 5TO8 7FM 2.48227
36 5DEY 59T 2.6936
37 6FL8 ADP 2.72727
38 6FL8 TIY 2.72727
39 1E4E ADP 2.72727
40 4UX9 ANP 2.72727
41 3UDZ ADP 2.72727
42 5DMZ ADP 2.72727
43 2VPQ ANP 2.72727
44 4LH7 1X8 2.78638
45 1S68 AMP 2.81124
46 4CC6 L5Y 2.83019
47 5ZCT ANP 2.94118
48 5C1P DAL DAL 2.94118
49 5C1P ADP 2.94118
50 5TT6 ATP 3.0303
51 5BVE 4VG 3.0303
52 4OCV ANP 3.0303
53 2Q8Z NUP 3.0303
54 2HGS ADP 3.0303
55 5LI1 ANP 3.0303
56 4NST ADP 3.0303
57 4H3P ANP 3.0303
58 4H3Q ANP 3.0303
59 3TXO 07U 3.0303
60 2HVW DDN 3.26087
61 4OCJ NDG 3.33333
62 2V58 LZJ 3.33333
63 1EHI ADP 3.33333
64 6C1S EFV 3.33333
65 3MVH WFE 3.33333
66 2YW2 ATP 3.33333
67 6CMJ F6J 3.42679
68 1XK5 TPG 3.43137
69 2Q7D ANP 3.46821
70 3PP0 03Q 3.5503
71 1RE8 BD2 3.63636
72 2GU8 796 3.63636
73 3TTI KBI 3.63636
74 6G34 5ID 3.63636
75 4OUC 5ID 3.63636
76 4WB6 ATP 3.63636
77 4WB7 ATP 3.63636
78 3IGO ANP 3.63636
79 2QCS ANP 3.63636
80 2XMY CDK 3.69128
81 5C4L 4XR 3.73832
82 4IZY 1J2 3.79404
83 3FHI ANP 3.8961
84 4GLW 0XT 3.93443
85 4G17 0VN 3.93939
86 1RZM E4P 3.93939
87 5CEO 50D 4
88 3HAV ATP 4.01338
89 5JKG 6LF 4.18006
90 1O9U ADZ 4.24242
91 5DXT 5H5 4.24242
92 5GZ9 ANP 4.2623
93 5XVG 8FX 4.43686
94 3DNT ATP 4.54545
95 4USF 6UI 4.60526
96 3KN5 ANP 4.61538
97 2J7T 274 4.63576
98 3PN1 IVH 4.71698
99 2BKK ADP 4.73373
100 5USZ SKE 4.84429
101 4IX4 ADP 4.84848
102 4WOV 3SM 4.84848
103 4HPP GLU 4.84848
104 1Q8Y ADP 4.84848
105 5H2D ERG 4.84848
106 3GC8 B45 4.86486
107 4NW6 2NS 4.95356
108 3SRV S19 5.05415
109 3TY5 ADP 5.15152
110 3TY5 ATP 5.15152
111 6A1G 9OL 5.15152
112 1U5R ATP 5.17241
113 3SXS PP2 5.22388
114 4LRJ ANP 5.32544
115 4ONA UW1 5.45455
116 3VOT ADP 5.45455
117 5W4W 9WG 5.45455
118 5IH9 6BF 5.45455
119 1M0W ANP 5.45455
120 4KBA 1QM 5.45455
121 2BPM 529 5.66038
122 4BCN T9N 5.72519
123 3CY2 MB9 5.73248
124 3HMO STU 5.75758
125 5AX9 4KT 5.84416
126 4AG8 AXI 6.01266
127 5COU ATP 6.06061
128 2QK4 ATP 6.06061
129 5DZT AMP 6.06061
130 5N87 N66 6.07029
131 4LXQ FON 6.20438
132 4LXQ TYD 6.20438
133 2WEI VGG 6.27178
134 4E93 GUI 6.36364
135 5T63 ALA ALA ALA ALA 6.36364
136 5H2U 1N1 6.36704
137 4N70 2HX 6.40244
138 1XDN ATP 6.4982
139 5OKT 9XK 6.6879
140 4YZC STU 6.9697
141 2WU6 DKI 6.9697
142 5AWM ANP 7.27273
143 4AUA 4AU 7.49186
144 1OPK P16 7.57576
145 3DLS ADP 7.57576
146 1PK8 ATP 7.57576
147 5G1X ADP 7.7193
148 5EH0 5NW 7.75194
149 4IJP 1EH 7.87879
150 1AUX AGS 8.03859
151 3WVR AMP 8.2774
152 6E8I PTR 8.28402
153 4BCQ TJF 8.77863
154 4RYV ZEA 9.03226
155 3HRD MCN 9.09091
156 5TT5 NAD 9.39394
157 3PTG 932 9.39394
158 6GZD LCI 9.39394
159 2X2M X2M 9.55414
160 5EYK 5U5 10.1695
161 3VHE 42Q 10.585
162 3GQI ACP 10.6195
163 6G9I CXX 11.3095
164 5Y80 IRE 11.4865
165 4C2W ANP 11.5385
166 2PYW ADP 11.8182
167 5HES 032 12.0521
168 4BHN BH9 12.1212
169 1V0O INR 12.1528
170 2A19 ANP 13.1429
171 4C2V YJA 13.6364
172 6GU6 1QK 14.2384
173 4Y8D 49J 15.7143
174 1XJD STU 15.7576
175 5ZTN CUR 15.8508
176 2CFM AMP 21.2121
177 5K2M ADP 22.6415
178 3IDB ANP 24.8447
179 3VPB ADP 25
180 3BU5 ATP 33.3333
Pocket No.: 2; Query (leader) PDB : 1CKN; Ligand: GTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1ckn.bio4) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1CKN; Ligand: GTP; Similar sites found with APoc: 5
This union binding pocket(no: 3) in the query (biounit: 1ckn.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3EKK GS2 1.9544
2 2R7K ACP 3.0303
3 2R7K AMZ 3.0303
4 4GLL NAD 3.33333
5 2OX9 GAL NAG FUC 5
Pocket No.: 4; Query (leader) PDB : 1CKN; Ligand: GTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1ckn.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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