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Receptor
PDB id Resolution Class Description Source Keywords
3CTR 2.1 Å EC: 3.1.13.4 CRYSTAL STRUCTURE OF THE RRM-DOMAIN OF THE POLY(A)-SPECIFIC RIBONUCLEASE PARN BOUND TO M7GTP HOMO SAPIENS PARN PROTEIN-RNA-COMPLEX M7G-CAP M7GTP RNA RECOGNITION MRRM EXONUCLEASE HYDROLASE MAGNESIUM METAL-BINDING NONSMEDIATED MRNA DECAY NUCLEASE NUCLEUS PHOSPHOPROTEIN RNA
Ref.: CRYSTAL STRUCTURE OF THE RRM DOMAIN OF POLY(A)-SPEC RIBONUCLEASE REVEALS A NOVEL M(7)G-CAP-BINDING MODE J.MOL.BIOL. V. 382 827 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MGP A:1;
Valid;
none;
Kd = 6.94 uM
538.215 C11 H19 N5 O14 P3 C[n+]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CTR 2.1 Å EC: 3.1.13.4 CRYSTAL STRUCTURE OF THE RRM-DOMAIN OF THE POLY(A)-SPECIFIC RIBONUCLEASE PARN BOUND TO M7GTP HOMO SAPIENS PARN PROTEIN-RNA-COMPLEX M7G-CAP M7GTP RNA RECOGNITION MRRM EXONUCLEASE HYDROLASE MAGNESIUM METAL-BINDING NONSMEDIATED MRNA DECAY NUCLEASE NUCLEUS PHOSPHOPROTEIN RNA
Ref.: CRYSTAL STRUCTURE OF THE RRM DOMAIN OF POLY(A)-SPEC RIBONUCLEASE REVEALS A NOVEL M(7)G-CAP-BINDING MODE J.MOL.BIOL. V. 382 827 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CTR Kd = 6.94 uM MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CTR Kd = 6.94 uM MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CTR Kd = 6.94 uM MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MGP; Similar ligands found: 81
No: Ligand ECFP6 Tc MDL keys Tc
1 MGP 1 1
2 6G0 0.986667 1
3 G7M 0.794872 0.987013
4 GTG 0.741935 0.974684
5 GTA 0.71875 0.974684
6 MG7 0.653846 0.884615
7 GTP 0.619565 0.961039
8 MGO 0.619565 0.901235
9 GDP 7MG 0.592233 0.949367
10 GP3 0.55914 0.936709
11 GDP 0.553191 0.961039
12 GSP 0.525253 0.91358
13 MGQ 0.514852 0.925
14 G1R 0.5 0.948718
15 MGV 0.5 0.880952
16 GAV 0.5 0.925
17 GNH 0.5 0.948718
18 01G 0.495327 0.870588
19 9GM 0.49505 0.936709
20 GNP 0.49505 0.936709
21 HFD 0.494845 0.841463
22 HEJ 0.494737 0.884615
23 ATP 0.494737 0.884615
24 AQP 0.489583 0.884615
25 5FA 0.489583 0.884615
26 GCP 0.485149 0.936709
27 G5P 0.477477 0.936709
28 7DT 0.474227 0.871795
29 G2R 0.471698 0.925
30 5GP 0.46875 0.948052
31 G 0.46875 0.948052
32 ITT 0.46875 0.835443
33 G3A 0.468468 0.936709
34 0O2 0.46729 0.948052
35 AJQ 0.466102 0.926829
36 GKE 0.463636 0.925
37 GDC 0.463636 0.925
38 GDD 0.463636 0.925
39 Y9Z 0.463636 0.892857
40 GMV 0.460784 0.936709
41 GFB 0.459459 0.949367
42 GDR 0.459459 0.949367
43 DGT 0.456311 0.888889
44 GPD 0.45614 0.914634
45 6CK 0.455357 0.902439
46 G2P 0.451923 0.925
47 AP5 0.447917 0.860759
48 B4P 0.447917 0.860759
49 GKD 0.447368 0.925
50 JB2 0.447368 0.949367
51 8GT 0.445545 0.843373
52 NGD 0.445378 0.949367
53 GPG 0.440367 0.925
54 BA3 0.4375 0.860759
55 GH3 0.433962 0.935897
56 ADP 0.43299 0.884615
57 6YZ 0.432692 0.8625
58 GP2 0.431373 0.925
59 GDX 0.431034 0.936709
60 YGP 0.428571 0.891566
61 MGT 0.428571 0.837209
62 RGT 0.428571 0.875
63 IDP 0.425743 0.935065
64 JB3 0.425 0.9375
65 A4P 0.425 0.83908
66 CAG 0.424 0.894118
67 25L 0.423423 0.873418
68 A2D 0.416667 0.860759
69 7DD 0.414141 0.871795
70 6AD 0.413462 0.855422
71 SAP 0.411765 0.841463
72 AGS 0.411765 0.841463
73 G3D 0.411215 0.948052
74 G2Q 0.409091 0.925
75 ALF 5GP 0.40566 0.879518
76 TPG 0.40458 0.853933
77 ACQ 0.403846 0.8625
78 ANP 0.403846 0.8625
79 G4P 0.40367 0.948052
80 C1Z 0.401786 0.948052
81 2MD 0.4 0.860465
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CTR; Ligand: MGP; Similar sites found with APoc: 57
This union binding pocket(no: 1) in the query (biounit: 3ctr.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3VPH NAD None
2 3VPH OXM None
3 1UPF URF None
4 3NK7 SAM None
5 1EZ4 NAD None
6 2NV2 GLN None
7 2BNE U5P None
8 1S5P LYS GLY GLY ALA ALY ARG HIS ARG 1.9802
9 1LDN NAD 1.9802
10 3NKV GNP 2.9703
11 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 3.9604
12 5GS9 ARG 3.9604
13 4NVQ 2OD 3.9604
14 4NVQ SAH 3.9604
15 6EDV COA 3.9604
16 5T0K SAM 3.9604
17 3HQP ATP 3.9604
18 2RKV ZBA 5.94059
19 5JGA 6KC 5.94059
20 1HYH NAD 5.94059
21 6CZ7 MGD 6.93069
22 1T90 NAD 6.93069
23 3VMF GTP 6.93069
24 1TT8 PHB 7.92079
25 2G50 PYR 7.92079
26 4LHW GNP 7.92079
27 1WG8 SAM 9.90099
28 3ITJ FAD 9.90099
29 3T1A 5MA 9.90099
30 6CEP OXM 9.90099
31 6CEP NAD 9.90099
32 3PE2 E1B 10.8911
33 5NIU 8YZ 10.8911
34 3WBZ ATP 13.8614
35 4WOP CTP 13.8614
36 3RAB GNP 13.8614
37 4ZDJ UTP 14.8515
38 5DIF GNP 15.8416
39 5UWQ GNP 15.8416
40 6CIT GNP 15.8416
41 5UWJ GNP 15.8416
42 5UWT GNP 15.8416
43 5UWW GNP 15.8416
44 5UWI GNP 15.8416
45 5UWU GNP 15.8416
46 5UWO GNP 15.8416
47 5UWR GNP 15.8416
48 5DHF GNP 15.8416
49 5UWH GNP 15.8416
50 2FV5 541 16.8317
51 5V22 SAH 16.8317
52 5VC5 96M 16.8317
53 2ISJ FMN 17.8218
54 5SZH GNP 19.802
55 1GUA GNP 21.7822
56 4HDQ GNP 21.7822
57 5UPK GNP 25
Pocket No.: 2; Query (leader) PDB : 3CTR; Ligand: MGP; 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: 3ctr.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3CTR; Ligand: MGP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3ctr.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3CTR; Ligand: MGP; 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: 3ctr.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3CTR; Ligand: MGP; Similar sites found with APoc: 6
This union binding pocket(no: 5) in the query (biounit: 3ctr.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2BNF UTP None
2 4EU7 COA 3.9604
3 4EU7 CIT 3.9604
4 5YS9 FAD 6.93069
5 5O1I 9GH 25.7426
6 1AJ8 COA 27.7228
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