Receptor
PDB id Resolution Class Description Source Keywords
4RF7 2.1 Å EC: 2.7.3.3 CRYSTAL STRUCTURE OF DOUBLE-DOMAIN ARGININE KINASE FROM ANTH JAPONICAS IN COMPLEX WITH SUBSTRATE L-ARGININE ANTHOPLEURA JAPONICA DOUBLE DOMAIN TANDEM DOMAIN PHOSPHAGEN KINASE TRANSFERASE
Ref.: STRUCTURE OF A DOUBLE-DOMAIN PHOSPHAGEN KINASE REVE ASYMMETRIC ARRANGEMENT OF THE TANDEM DOMAINS. ACTA CRYSTALLOGR.,SECT.D V. 71 779 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG A:805;
A:807;
B:1006;
B:1005;
A:806;
B:1007;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
175.209 C6 H15 N4 O2 C(C[C...
ACT A:802;
A:804;
B:1003;
A:801;
A:803;
B:1002;
B:1004;
B:1001;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RF7 2.1 Å EC: 2.7.3.3 CRYSTAL STRUCTURE OF DOUBLE-DOMAIN ARGININE KINASE FROM ANTH JAPONICAS IN COMPLEX WITH SUBSTRATE L-ARGININE ANTHOPLEURA JAPONICA DOUBLE DOMAIN TANDEM DOMAIN PHOSPHAGEN KINASE TRANSFERASE
Ref.: STRUCTURE OF A DOUBLE-DOMAIN PHOSPHAGEN KINASE REVE ASYMMETRIC ARRANGEMENT OF THE TANDEM DOMAINS. ACTA CRYSTALLOGR.,SECT.D V. 71 779 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4RF8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4RF7 - ARG C6 H15 N4 O2 C(C[C@@H](....
3 4RF9 - ARG C6 H15 N4 O2 C(C[C@@H](....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4RF8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4RF7 - ARG C6 H15 N4 O2 C(C[C@@H](....
3 4RF9 - ARG C6 H15 N4 O2 C(C[C@@H](....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4RF8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4RF7 - ARG C6 H15 N4 O2 C(C[C@@H](....
3 4RF9 - ARG C6 H15 N4 O2 C(C[C@@H](....
4 4WOD - ARG C6 H15 N4 O2 C(C[C@@H](....
5 4WOE Kd = 3.8 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG 1 1
2 DAR 1 1
3 CIR 0.735294 0.763158
4 AAR 0.705882 0.783784
5 ILO 0.615385 0.783784
6 3AR 0.595238 0.891892
7 4JK 0.585366 0.789474
8 NMM 0.585366 0.888889
9 HAR 0.585366 0.780488
10 VUR 0.585366 0.810811
11 VIO 0.581395 0.769231
12 WT2 0.571429 0.805556
13 DA2 0.55814 0.744186
14 3KJ 0.545455 0.680851
15 2MR 0.545455 0.864865
16 2YH 0.545455 0.65
17 1KJ 0.533333 0.744186
18 JM2 0.533333 0.731707
19 NRG 0.521739 0.622642
20 2YJ 0.521739 0.619048
21 RPI 0.521739 0.64
22 API 0.515152 0.611111
23 LN6 0.510638 0.725
24 JM7 0.5 0.731707
25 HRG 0.5 0.941176
26 AS1 0.489796 0.8
27 2KJ 0.489796 0.727273
28 D20 0.489796 0.744186
29 ORN 0.472222 0.757576
30 JM6 0.470588 0.697674
31 JM8 0.470588 0.714286
32 JM4 0.470588 0.697674
33 LYS ARG LYS ARG LYS ARG LYS ARG 0.463415 0.848485
34 MLZ 0.463415 0.65
35 JM5 0.461538 0.714286
36 DLY 0.447368 0.735294
37 DAB 0.441176 0.685714
38 LYS 0.435897 0.764706
39 0TF 0.428571 0.619048
40 2YG 0.42 0.619048
41 PG3 0.416667 0.756757
42 6CL 0.414634 0.638889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RF7; Ligand: ARG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4rf7.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4RF7; Ligand: ARG; 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: 4rf7.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4RF7; Ligand: ARG; 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: 4rf7.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4RF7; Ligand: ARG; 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: 4rf7.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4RF7; Ligand: ARG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4rf7.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4RF7; Ligand: ARG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4rf7.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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