Receptor
PDB id Resolution Class Description Source Keywords
2A9G 2.3 Å EC: 3.5.3.6 STRUCTURE OF C406A ARGININE DEIMINASE IN COMPLEX WITH L-ARGI PSEUDOMONAS AERUGINOSA ARGININE DEGRADATION PATHWAY L-ARGININE DEIMINASE CATALYTIMECHANISM HYDROLASE
Ref.: CRYSTAL STRUCTURES REPRESENTING THE MICHAELIS COMPL THE THIOURONIUM REACTION INTERMEDIATE OF PSEUDOMONA AERUGINOSA ARGININE DEIMINASE. J.BIOL.CHEM. V. 280 34080 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG A:1500;
B:2500;
C:3500;
D:4500;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
175.209 C6 H15 N4 O2 C(C[C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2A9G 2.3 Å EC: 3.5.3.6 STRUCTURE OF C406A ARGININE DEIMINASE IN COMPLEX WITH L-ARGI PSEUDOMONAS AERUGINOSA ARGININE DEGRADATION PATHWAY L-ARGININE DEIMINASE CATALYTIMECHANISM HYDROLASE
Ref.: CRYSTAL STRUCTURES REPRESENTING THE MICHAELIS COMPL THE THIOURONIUM REACTION INTERMEDIATE OF PSEUDOMONA AERUGINOSA ARGININE DEIMINASE. J.BIOL.CHEM. V. 280 34080 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2A9G - ARG C6 H15 N4 O2 C(C[C@@H](....
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 2A9G - ARG C6 H15 N4 O2 C(C[C@@H](....
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 2A9G - ARG C6 H15 N4 O2 C(C[C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 DAR 1 1
2 ARG 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 HAR 0.585366 0.780488
8 VUR 0.585366 0.810811
9 4JK 0.585366 0.789474
10 VIO 0.581395 0.769231
11 WT2 0.571429 0.805556
12 DA2 0.55814 0.744186
13 3KJ 0.545455 0.680851
14 2YH 0.545455 0.65
15 1KJ 0.533333 0.744186
16 JM2 0.533333 0.731707
17 2YJ 0.521739 0.619048
18 NRG 0.521739 0.622642
19 RPI 0.521739 0.64
20 API 0.515152 0.611111
21 LN6 0.510638 0.725
22 JM7 0.5 0.731707
23 HRG 0.5 0.941176
24 D20 0.489796 0.744186
25 AS1 0.489796 0.8
26 2KJ 0.489796 0.727273
27 ORN 0.472222 0.757576
28 JM6 0.470588 0.697674
29 JM4 0.470588 0.697674
30 JM8 0.470588 0.714286
31 MLZ 0.463415 0.65
32 JM5 0.461538 0.714286
33 DLY 0.447368 0.735294
34 DAB 0.441176 0.685714
35 LYS 0.435897 0.764706
36 0TF 0.428571 0.619048
37 2YG 0.42 0.619048
38 PG3 0.416667 0.756757
39 6CL 0.414634 0.638889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2A9G; Ligand: ARG; Similar sites found: 17
This union binding pocket(no: 1) in the query (biounit: 2a9g.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3II1 BGC 0.01179 0.4018 2.15311
2 3EWC MCF 0.025 0.40428 2.15633
3 1WDA BAG 0.00000008131 0.64484 2.68657
4 1VRP ADP 0.004974 0.42497 2.88714
5 5AK8 ALA ARG 0.000006042 0.54076 3.82775
6 5UC9 MYR 0.01248 0.40419 4.42478
7 3K8D CTP 0.01562 0.40074 4.54545
8 3JDW ORN 0.0004134 0.48 5.02392
9 4CQ5 TCA 0.01658 0.42129 5.74163
10 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 0.0126 0.41476 5.74713
11 2GND MAN MMA 0.01293 0.40224 7.89474
12 5IXJ THR 0.03136 0.40562 8.58586
13 1YNH SUO 0.00000007373 0.49552 8.61244
14 3HRD FAD 0.03148 0.41656 17.8788
15 2JAJ D20 0.0000001141 0.55007 19.0311
16 2CI5 HCS 0.00002406 0.53984 25.3521
17 1H70 CIR 0.0000003363 0.61556 27.8431
Pocket No.: 2; Query (leader) PDB : 2A9G; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2a9g.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2A9G; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2a9g.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2A9G; Ligand: ARG; 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: 2a9g.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2A9G; Ligand: ARG; Similar sites found: 6
This union binding pocket(no: 5) in the query (biounit: 2a9g.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HQL GLA MBG 0.007681 0.42142 1.55642
2 4R74 F6P 0.009675 0.41614 3.73832
3 1IGW PYR 0.01663 0.40078 3.82775
4 4CS4 AXZ 0.04274 0.40741 4.37956
5 3WLE NAD 0.03095 0.4086 5.57185
6 1DB1 VDX 0.02985 0.40525 10.4247
Pocket No.: 6; Query (leader) PDB : 2A9G; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2a9g.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2A9G; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2a9g.bio3) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2A9G; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2a9g.bio3) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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