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Receptor
PDB id Resolution Class Description Source Keywords
4J7N 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MOUSE DXO IN COMPLEX WITH M7GPPPG CAP MUS MUSCULUS DECAPPING 5-prime -3-prime EXORIBONUCLEASE HYDROLASE
Ref.: A MAMMALIAN PRE-MRNA 5' END CAPPING QUALITY CONTROL MECHANISM AND AN UNEXPECTED LINK OF CAPPING TO PRE-PROCESSING. MOL.CELL V. 50 104 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTG A:402;
A:401;
Valid;
Valid;
none;
none;
submit data
803.44 C21 H30 N10 O18 P3 C[n+]...
EDO A:404;
A:405;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
9MG A:403;
Valid;
none;
submit data
165.153 C6 H7 N5 O Cn1cn...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6AIX 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DXO IN COMPLEX WITH ADENOSINE 3', 5' BI AND TWO MAGNESIUM IONS MUS MUSCULUS 5[PRIME]-3[PRIME] EXORIBONUCLEASE DXO ADENOSINE 3[ PRIME] 5[PRIME] BISPHOSPHATE NUCLEASE INHIBITOR HYDROLASE-HYDROLINHIBITOR COMPLEX
Ref.: MOLECULAR MECHANISM FOR THE INHIBITION OF DXO BY AD 3',5'-BISPHOSPHATE. BIOCHEM. BIOPHYS. RES. V. 504 89 2018 COMMUN.
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4J7N - 9MG C6 H7 N5 O Cn1cnc2c1n....
2 6AIY - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
3 6AIX Kd < 30 mM A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
4 5ULI - 0WD C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4J7N - 9MG C6 H7 N5 O Cn1cnc2c1n....
2 6AIY - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
3 6AIX Kd < 30 mM A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
4 5ULI - 0WD C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4J7N - 9MG C6 H7 N5 O Cn1cnc2c1n....
2 6AIY - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
3 6AIX Kd < 30 mM A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
4 5ULI - 0WD C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTG; Similar ligands found: 107
No: Ligand ECFP6 Tc MDL keys Tc
1 GTG 1 1
2 GP3 0.806818 0.962025
3 GDP 7MG 0.79798 0.974684
4 GTP 0.752688 0.936709
5 6G0 0.752688 0.974684
6 MGP 0.741935 0.974684
7 GSP 0.736842 0.891566
8 GDP 0.72043 0.936709
9 GNH 0.712766 0.925
10 G1R 0.708333 0.925
11 GCP 0.690722 0.91358
12 GTA 0.688679 1
13 9GM 0.683673 0.91358
14 GNP 0.683673 0.91358
15 G3A 0.669811 0.962025
16 G2R 0.666667 0.902439
17 5GP 0.666667 0.924051
18 G 0.666667 0.924051
19 G5P 0.663551 0.962025
20 GMV 0.663265 0.91358
21 G7M 0.655914 0.962025
22 Y9Z 0.650943 0.872093
23 GDR 0.64486 0.95
24 GFB 0.64486 0.95
25 GAV 0.637255 0.902439
26 GKE 0.635514 0.925926
27 GDD 0.635514 0.925926
28 GDC 0.635514 0.925926
29 GP2 0.632653 0.902439
30 JB2 0.627273 0.95
31 GKD 0.627273 0.925926
32 6CK 0.623853 0.903614
33 GPD 0.621622 0.915663
34 G2P 0.617647 0.902439
35 NGD 0.617391 0.974684
36 GPG 0.613208 0.95
37 YGP 0.611111 0.892857
38 GDX 0.607143 0.9375
39 CAG 0.6 0.917647
40 ALF 5GP 0.598039 0.858824
41 JB3 0.594828 0.938272
42 ALF GDP 0.579439 0.858824
43 GDP ALF 0.579439 0.858824
44 GDP AF3 0.579439 0.858824
45 TPG 0.571429 0.855556
46 0O2 0.568807 0.924051
47 2MD 0.561983 0.862069
48 FEG 0.55 0.894118
49 MGD 0.548387 0.862069
50 GMP 0.548387 0.825
51 ZGP 0.545455 0.883721
52 G G 0.54386 0.962025
53 MD1 0.543307 0.862069
54 G3D 0.542056 0.924051
55 CG2 0.540984 0.903614
56 MG7 0.537634 0.8625
57 U2G 0.53719 0.903614
58 G4P 0.53211 0.924051
59 PGD 0.53125 0.892857
60 G1G 0.527559 0.9875
61 AKW 0.52459 0.951219
62 DBG 0.523077 0.938272
63 GH3 0.522936 0.9125
64 FE9 0.511628 0.791667
65 DGT 0.504587 0.86747
66 3GP 0.5 0.8875
67 G4M 0.496403 0.895349
68 GPX 0.486726 0.8875
69 GCP G 0.482759 0.8875
70 BGO 0.47619 0.9625
71 A G 0.472868 0.949367
72 AJQ 0.472441 0.951219
73 2GP 0.471154 0.9
74 U A G G 0.469231 0.949367
75 MGO 0.468468 0.879518
76 DGI 0.46789 0.86747
77 G1R G1R 0.466667 0.938272
78 GGM 0.465116 0.939024
79 IDP 0.462963 0.911392
80 G A A A 0.461538 0.9375
81 R7I 0.459459 0.8875
82 R5I 0.459459 0.8875
83 PGD O 0.452555 0.844444
84 MGQ 0.439655 0.95
85 P2G 0.435185 0.829268
86 BA3 0.433962 0.886076
87 GPC 0.432836 0.850575
88 AP5 0.429907 0.886076
89 B4P 0.429907 0.886076
90 MGV 0.428571 0.904762
91 G U 0.427481 0.891566
92 P1G 0.427273 0.819277
93 DGP 0.425926 0.855422
94 DG 0.425926 0.855422
95 G C 0.421053 0.891566
96 G2Q 0.420168 0.902439
97 IMP 0.416667 0.898734
98 01G 0.414634 0.872093
99 AQP 0.414414 0.886076
100 5FA 0.414414 0.886076
101 A4P 0.412214 0.862069
102 HFD 0.40708 0.843373
103 HEJ 0.405405 0.886076
104 ATP 0.405405 0.886076
105 G G G C 0.402878 0.926829
106 A2D 0.401869 0.886076
107 G G G RPC 0.4 0.890244
Ligand no: 2; Ligand: 9MG; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9MG 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6AIX; Ligand: A3P; Similar sites found with APoc: 56
This union binding pocket(no: 1) in the query (biounit: 6aix.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4Z2S NAG 1.40845
2 4Z2S NDG 1.40845
3 3ZPG 5GP 1.85185
4 3QTP 2PG 1.85185
5 3HSS MLA 2.04778
6 5JH2 A2P 2.25806
7 1S20 TLA 2.35294
8 4WMY 3S6 2.61438
9 1HFU NAG NDG 2.6455
10 2HHP FLC 2.6455
11 2Z49 AMG 2.6455
12 5KZD RCJ 2.73038
13 2D3Y DU 2.73973
14 5LY1 PPI 2.91005
15 6CS8 F9Y 2.9703
16 4DZ1 DAL 3.4749
17 1M2Z BOG 3.50195
18 2A9W UMP 3.78788
19 3ZCB ATP 4.0404
20 1VMK GUN 4.33213
21 5M36 9SZ 4.36681
22 4IP7 FLC 4.49735
23 1F74 NAY 4.49735
24 5NFB 8VT 4.54545
25 3QDV NDG 4.8951
26 3QDU CBS CBS 4.8951
27 3QDW NDG 4.8951
28 3QDX CBS 4.8951
29 3QDY CBS 4.8951
30 4UP4 GAL NAG 5.02645
31 3WKX FUB 5.02645
32 2OWZ CIT 5.42169
33 3TW1 AHN 5.48523
34 6BMS POV 5.57185
35 4OSP 2V4 5.70342
36 3HQP OXL 6.08466
37 3P7G MAN 6.16438
38 1PVC ILE SER GLU VAL 6.30252
39 5GLT BGC GAL NAG GAL 6.33803
40 2HBL AMP 6.61376
41 2G50 PYR 6.61376
42 4RW3 SHV 6.62252
43 5HVJ ANP 6.66667
44 3WH2 FLC 6.80272
45 1Y2W NAG 7.04225
46 1R6N 434 7.109
47 6FS8 E4Z 7.80488
48 5D6C 57S 8.03571
49 1PIG BGC 8.46561
50 4KIL 1R5 8.92019
51 4KCT PYR 8.99471
52 2OFE NAG 9.15493
53 2OFD NGA 9.15493
54 5LWY OLB 10.084
55 1JOC ITP 12
56 1RDL MMA 14.1593
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