Receptor
PDB id Resolution Class Description Source Keywords
4PZ6 2.41 Å EC: 2.7.7.50 PCE1 GUANYLYLTRANSFERASE BOUND TO SER2/SER5 PHOSPHORYLATED R CTD SCHIZOSACCHAROMYCES POMBE NUCLEOTIDYL TRANSFERASE RNA CAPPING ENZYME RNA POLYMERASE GUANYLATION NUCLEAR TRANSFERASE-TRANSCRIPTION COMPLEX
Ref.: HOW AN MRNA CAPPING ENZYME READS DISTINCT RNA POLYM AND SPT5 CTD PHOSPHORYLATION CODES. GENES DEV. V. 28 1323 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GMP B:501;
Valid;
none;
submit data
283.241 C10 H13 N5 O5 c1nc2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PZ6 2.41 Å EC: 2.7.7.50 PCE1 GUANYLYLTRANSFERASE BOUND TO SER2/SER5 PHOSPHORYLATED R CTD SCHIZOSACCHAROMYCES POMBE NUCLEOTIDYL TRANSFERASE RNA CAPPING ENZYME RNA POLYMERASE GUANYLATION NUCLEAR TRANSFERASE-TRANSCRIPTION COMPLEX
Ref.: HOW AN MRNA CAPPING ENZYME READS DISTINCT RNA POLYM AND SPT5 CTD PHOSPHORYLATION CODES. GENES DEV. V. 28 1323 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4PZ6 - GMP C10 H13 N5 O5 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 4PZ6 - GMP C10 H13 N5 O5 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 4PZ6 - GMP C10 H13 N5 O5 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GMP; Similar ligands found: 114
No: Ligand ECFP6 Tc MDL keys Tc
1 GMP 1 1
2 5GP 0.732394 0.866667
3 G 0.732394 0.866667
4 3GP 0.704225 0.853333
5 GDP 0.684211 0.88
6 GNH 0.675325 0.868421
7 GP3 0.671053 0.857143
8 GP2 0.662338 0.846154
9 GTP 0.658228 0.88
10 2GP 0.657534 0.866667
11 GDP MG 0.64557 0.833333
12 G2P 0.641975 0.846154
13 GSP 0.641975 0.835443
14 GDP BEF 0.6375 0.8125
15 ALF 5GP 0.6375 0.802469
16 GMV 0.6375 0.857143
17 GPG 0.635294 0.87013
18 GCP 0.62963 0.857143
19 G1R 0.62963 0.868421
20 GAV 0.626506 0.846154
21 GKE 0.625 0.87013
22 GDD 0.625 0.87013
23 GDC 0.625 0.87013
24 GNP 0.621951 0.857143
25 BEF GDP 0.614458 0.802469
26 GTP MG 0.614458 0.833333
27 GCP G 0.607143 0.844156
28 GDP ALF 0.593023 0.802469
29 GDP AF3 0.593023 0.802469
30 G G 0.590909 0.844156
31 G4P 0.588235 0.866667
32 G2R 0.586207 0.846154
33 G3D 0.583333 0.866667
34 P2G 0.576923 0.815789
35 SGP 0.576923 0.78481
36 GFB 0.565217 0.846154
37 GDR 0.565217 0.846154
38 GKD 0.56383 0.87013
39 P1G 0.5625 0.805195
40 0O2 0.561798 0.866667
41 YGP 0.56044 0.792683
42 6CK 0.55914 0.825
43 G3A 0.55914 0.857143
44 Y9Z 0.554348 0.817073
45 G5P 0.553191 0.857143
46 NOS 0.549296 0.940298
47 GTG 0.548387 0.825
48 JB2 0.547368 0.846154
49 GPD 0.541667 0.814815
50 GDX 0.541667 0.857143
51 U2G 0.54 0.848101
52 GDP 7MG 0.536842 0.822785
53 C2E 0.53012 0.828947
54 PCG 0.53012 0.84
55 35G 0.53012 0.84
56 CG2 0.529412 0.848101
57 5GP 5GP 0.52381 0.815789
58 MG7 0.520548 0.957143
59 JB3 0.514852 0.835443
60 G A A A 0.504762 0.857143
61 U A G G 0.5 0.844156
62 FEG 0.495146 0.77381
63 NGD 0.495146 0.846154
64 G U34 0.490385 0.825
65 ZGP 0.490385 0.764706
66 GH3 0.488889 0.855263
67 DGP 0.487805 0.797468
68 DG 0.487805 0.797468
69 G G U 0.484848 0.820513
70 2MD 0.481132 0.785714
71 G C 0.481132 0.835443
72 BGO 0.480769 0.8125
73 GPX 0.478261 0.828947
74 XTS 0.472973 0.913043
75 DGI 0.471264 0.810127
76 CAG 0.46789 0.776471
77 MGD 0.46789 0.785714
78 I2C FE2 CMO CMO 0.463636 0.730337
79 TPG 0.45614 0.741573
80 FE9 0.455357 0.684211
81 4BW 0.454545 0.828947
82 1YD 0.454545 0.828947
83 GGM 0.453704 0.792683
84 G G G RPC 0.453704 0.7875
85 SNI 0.453333 0.898551
86 PGD 0.451327 0.814815
87 MD1 0.451327 0.785714
88 DGT 0.450549 0.810127
89 APC G U 0.45045 0.797468
90 DBG 0.443478 0.835443
91 G1R G1R 0.443478 0.835443
92 13A 0.441558 0.768293
93 GPC 0.441441 0.795181
94 PGD O 0.439655 0.75
95 DG DG 0.43299 0.802469
96 G4M 0.430894 0.797619
97 G G G C 0.429825 0.802469
98 A G C C 0.426087 0.822785
99 U G A 0.424 0.825
100 1YC 0.421569 0.802632
101 AD3 0.421053 0.882353
102 4UR 0.416667 0.828947
103 G C C C 0.411765 0.8125
104 ADN 0.410959 0.882353
105 RAB 0.410959 0.882353
106 XYA 0.410959 0.882353
107 G1G 0.408696 0.814815
108 1DA 0.407895 0.882353
109 AC2 0.407895 0.797297
110 IMP 0.406977 0.84
111 A G U 0.404762 0.825
112 3ZE 0.404494 0.772152
113 MZR 0.402778 0.838235
114 CFE 0.4 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PZ6; Ligand: GMP; Similar sites found: 104
This union binding pocket(no: 1) in the query (biounit: 4pz6.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3VSV XYS 0.003834 0.42743 1.24069
2 4WNP 3RJ 0.0009205 0.41076 1.39373
3 3VOT ADP 0.0005181 0.42718 1.48883
4 2VN9 GVD 0.004678 0.40276 1.66113
5 3AKK ADP 0.0008404 0.4814 1.84615
6 4UWH JXM 0.0003029 0.41748 1.98511
7 4XH0 ADP 0.003902 0.41201 1.98511
8 1K3A ACP 0.0008226 0.4703 2.00669
9 1SQL GUN 0.008727 0.40861 2.05479
10 5H2U 1N1 0.0005391 0.40912 2.24719
11 5DA3 58V 0.002382 0.40215 2.26415
12 5HES 032 0.001515 0.46526 2.28013
13 3OFM 4B0 0.0002688 0.43125 2.28571
14 4YMJ 4EJ 0.0005855 0.45096 2.30263
15 3RE4 TO1 0.002534 0.40217 2.32558
16 2ZV2 609 0.001742 0.40701 2.34899
17 4UAL 3FV 0.0005266 0.48249 2.48139
18 3ALN ANP 0.002181 0.40184 2.48139
19 4DFU QUE 0.003869 0.40535 2.48447
20 5C4L 4XR 0.002585 0.47047 2.49221
21 5C4L SIS 0.01503 0.42827 2.49221
22 4DVE BTN 0.007576 0.41856 2.52525
23 4GLW 0XT 0.0006709 0.43071 2.62295
24 4L3L 5FI 0.00427 0.45081 2.63158
25 4PIV NDP 0.02384 0.41451 2.72953
26 4X7Q 3YR 0.0002433 0.4246 2.88462
27 1IOW PHY 0.001647 0.48525 2.94118
28 5LPB ADP 0.001361 0.41177 3.04054
29 3KN5 ANP 0.00147 0.45136 3.07692
30 3CT5 NAG NAG NAG 0.01052 0.40916 3.14465
31 1S68 AMP 0.000003652 0.58426 3.21285
32 2CFM AMP 0.00002583 0.4788 3.22581
33 2FB3 GTP 0.03742 0.40717 3.23529
34 2FB3 5AD 0.01992 0.40394 3.23529
35 2FB3 MET 0.01815 0.40394 3.23529
36 4IX4 ADP 0.00008654 0.52922 3.42857
37 4OAG ADP 0.02097 0.40077 3.58209
38 4USF 6UI 0.0009663 0.40591 3.61842
39 3BL7 DD1 0.005422 0.43387 3.65448
40 5CEO 50D 0.002926 0.4467 3.66667
41 4CC6 L5Y 0.000004208 0.51811 3.77358
42 4N14 WR7 0.005197 0.42037 3.82166
43 4R78 AMP 0.002444 0.40413 3.8835
44 4AZT LY2 0.000702 0.41202 3.97022
45 1Q8Y ADE 0.001539 0.41608 4.02145
46 1UNH IXM 0.001528 0.45446 4.10959
47 3GC0 AMP 0.001484 0.40384 4.25532
48 5AVF TAU 0.001785 0.41098 4.28016
49 4CFU 2WC 0.0005077 0.41172 4.29043
50 4BCM T7Z 0.0004133 0.47236 4.31894
51 4BCQ TJF 0.00009997 0.45403 4.31894
52 4BCN T9N 0.0004245 0.42098 4.33333
53 4LH7 1X8 0.0002489 0.48393 4.33437
54 3HAV ATP 0.0001038 0.48714 4.34783
55 5HVJ ANP 0.002582 0.4274 4.44444
56 2QLU ADE 0.00608 0.40402 4.4586
57 5IQD GNP 0.01801 0.4296 4.59016
58 5IQD RIO 0.01877 0.4296 4.59016
59 4M69 ANP 0.008984 0.42317 4.59364
60 2XOC ADP 0.0004552 0.46844 4.5977
61 1XDN ATP 0.00009193 0.43815 4.69314
62 3O0G 3O0 0.001468 0.4597 4.69799
63 4Y8D 49J 0.0003404 0.40049 5
64 4DC2 ADE 0.001258 0.44362 5.05051
65 1RE8 BD2 0.006597 0.45624 5.14286
66 4NST ADP 0.0001307 0.51778 5.22388
67 5COU ATP 0.00001902 0.56188 5.58824
68 2IF8 ADP 0.003312 0.40818 5.78512
69 2ZFU SAH 0.02409 0.40489 6.04651
70 5LXC 7AA 0.001176 0.46504 6.20347
71 3DLS ADP 0.00003841 0.53717 6.26866
72 1H2T GDP 7MG 0.003969 0.44075 6.41026
73 3SRV S19 0.001202 0.40095 6.4982
74 4AUA 4AU 0.0006386 0.40227 6.51466
75 4F9C 0SX 0.000583 0.40345 6.6482
76 2F2U M77 0.0005562 0.42356 6.71642
77 3PN1 IVH 0.00001691 0.5431 7.2327
78 3TXO 07U 0.0008417 0.40719 7.64873
79 3LQV ADE 0.008164 0.4119 7.69231
80 4KBA 1QM 0.0009087 0.4241 7.85498
81 3TY5 ATP 0.00001654 0.48204 8.47458
82 3TY5 ADP 0.00001915 0.46095 8.47458
83 5C1P ADP 0.0009967 0.40481 8.49673
84 2PZI AXX 0.001508 0.40245 8.51689
85 1JPA ANP 0.0001431 0.46161 9.52381
86 4RDL FUC GAL NDG FUC 0.007297 0.40233 9.52381
87 5F90 GLA GAL 0.006153 0.40893 10.2564
88 5F90 LMR 0.01163 0.40134 10.2564
89 2BKK ADP 0.005669 0.42778 11.8343
90 5XG5 A2G 0.009612 0.40141 13.1034
91 2OFV 242 0.001482 0.48581 14.0794
92 5DZT AMP 0.002587 0.42146 14.2857
93 5I2E 67D 0.03272 0.42273 15.5039
94 3BP1 GUN 0.001124 0.46346 15.8621
95 1M0W ANP 0.005185 0.43449 19.0476
96 2QK4 ATP 0.001222 0.42159 19.0476
97 1O9U ADZ 0.0001005 0.49634 23.8095
98 3F7Z 34O 0.0001799 0.4106 23.8095
99 3ZRM ZRM 0.0001951 0.4105 23.8095
100 3AWJ COA 0.01907 0.40763 23.8095
101 5AWM ANP 0.00004339 0.46803 28.5714
102 3PTG 932 0.0008533 0.42901 28.5714
103 4IZY 1J2 0.000077 0.41232 28.5714
104 3E7O 35F 0.0008809 0.49387 33.3333
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