Receptor
PDB id Resolution Class Description Source Keywords
1MT1 2.2 Å EC: 4.1.1.19 THE CRYSTAL STRUCTURE OF PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METHANOCOCCUS JANNASCHII METHANOCALDOCOCCUS JANNASCHII PYRUVOYL GROUP PYRUVATE AGMATINE ARGININE LYASE
Ref.: PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METHANOCOCCUS JANNASCHII: CRYSTAL STRUCTURES OF THE SELF-CLEAVED AND S53A PROENZYME FORMS STRUCTURE V. 11 285 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AG2 A:7005;
B:7001;
C:7004;
G:7003;
K:7002;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
130.191 C5 H14 N4 C(CCN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MT1 2.2 Å EC: 4.1.1.19 THE CRYSTAL STRUCTURE OF PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METHANOCOCCUS JANNASCHII METHANOCALDOCOCCUS JANNASCHII PYRUVOYL GROUP PYRUVATE AGMATINE ARGININE LYASE
Ref.: PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE FROM METHANOCOCCUS JANNASCHII: CRYSTAL STRUCTURES OF THE SELF-CLEAVED AND S53A PROENZYME FORMS STRUCTURE V. 11 285 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1MT1 - AG2 C5 H14 N4 C(CCNC(=N)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1MT1 - AG2 C5 H14 N4 C(CCNC(=N)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1MT1 - AG2 C5 H14 N4 C(CCNC(=N)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AG2; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AG2 1 1
2 GZZ 0.5 0.862069
3 GVA 0.470588 0.78125
4 IAR 0.416667 0.727273
5 HRG 0.410256 0.757576
6 19N 0.4 0.625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1MT1; Ligand: AG2; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1mt1.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1MT1; Ligand: AG2; Similar sites found: 31
This union binding pocket(no: 2) in the query (biounit: 1mt1.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4O4Z N2O 0.0002681 0.50555 None
2 1UO5 PIH 0.00531 0.44143 None
3 3RV5 DXC 0.008745 0.4336 None
4 3KDU NKS 0.03865 0.42051 None
5 2YLD CMO 0.009409 0.40555 None
6 3WCA FPS 0.04582 0.40534 None
7 3KP6 SAL 0.0208 0.40176 None
8 4WG0 CHD 0.01156 0.4014 None
9 3HX3 RET 0.01954 0.40914 1.76991
10 2HW2 RFP 0.02487 0.40745 1.76991
11 4MRP GSH 0.00457 0.41942 2.65487
12 3IQE F42 0.0246 0.41953 3.53982
13 3IQE H4M 0.0206 0.41582 3.53982
14 1XZ3 ICF 0.009021 0.43529 5.76923
15 4RC8 STE 0.0226 0.41235 6.19469
16 2P1C GG3 0.04965 0.40079 7.07965
17 3GKJ HC3 0.01181 0.42711 8.84956
18 4J7Q B7N 0.02393 0.42503 8.84956
19 1FM9 570 0.01655 0.42977 9.73451
20 5C1M CLR 0.01035 0.40406 9.73451
21 5G3N X28 0.01429 0.42063 10.6195
22 1FP1 HCC 0.02778 0.40155 13.4615
23 5EP2 AZU 0.01167 0.4266 14.1593
24 4ORM ORO 0.03391 0.43698 17.3077
25 4ORM FMN 0.03391 0.43698 17.3077
26 4ORM 2V6 0.03391 0.43698 17.3077
27 2GTE VA 0.02592 0.41023 19.2308
28 3EWC MCF 0.01252 0.42865 20.354
29 3EBL GA4 0.03061 0.40286 23.8938
30 3GDN FAD 0.02458 0.42865 25
31 1N4H REA 0.02644 0.40757 25
Pocket No.: 3; Query (leader) PDB : 1MT1; Ligand: AG2; Similar sites found: 20
This union binding pocket(no: 3) in the query (biounit: 1mt1.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QZT PLM 0.02586 0.41166 None
2 3E7O 35F 0.03377 0.40903 None
3 5FH7 5XL 0.01093 0.40834 None
4 1SR7 MOF 0.03804 0.40623 None
5 4WW7 AMP 0.02231 0.40646 6.19469
6 5V13 JH3 0.02107 0.40435 6.19469
7 3G9E RO7 0.009558 0.44085 9.73451
8 3EE4 MYR 0.006813 0.43305 11.5044
9 2V5E SCR 0.01887 0.41069 11.5044
10 1ME8 RVP 0.04746 0.40612 12.3894
11 3IO3 ADP 0.008762 0.42383 15.3846
12 4U0S ADP 0.01808 0.40195 15.3846
13 4KCF AKM 0.03321 0.40049 15.3846
14 1MDC PLM 0.009625 0.427 17.3077
15 2VHW NAI 0.02856 0.41826 19.2308
16 2DYR TGL 0.04816 0.40174 19.2308
17 3A51 VDY 0.00838 0.42085 23.0769
18 4G4S LDZ 0.01657 0.40784 25
19 2FJU GSP 0.02391 0.40325 28.8462
20 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.02844 0.40029 30.0885
Pocket No.: 4; Query (leader) PDB : 1MT1; Ligand: AG2; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1mt1.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1MT1; Ligand: AG2; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1mt1.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback