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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: 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 VUR 0.585366 0.810811
10 HAR 0.585366 0.780488
11 VIO 0.581395 0.769231
12 WT2 0.571429 0.805556
13 DA2 0.55814 0.744186
14 2MR 0.545455 0.864865
15 2YH 0.545455 0.65
16 3KJ 0.545455 0.680851
17 1KJ 0.533333 0.744186
18 JM2 0.533333 0.731707
19 NRG 0.521739 0.622642
20 RPI 0.521739 0.64
21 2YJ 0.521739 0.619048
22 API 0.515152 0.611111
23 LN6 0.510638 0.725
24 HRG 0.5 0.941176
25 JM7 0.5 0.731707
26 2KJ 0.489796 0.727273
27 D20 0.489796 0.744186
28 AS1 0.489796 0.8
29 ORN 0.472222 0.757576
30 JM8 0.470588 0.714286
31 JM6 0.470588 0.697674
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 : 2A9G; Ligand: ARG; Similar sites found with APoc: 53
This union binding pocket(no: 1) in the query (biounit: 2a9g.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2NYA MGD 1.91388
2 1P7T ACO 2.15311
3 3II1 BGC 2.15311
4 3EWC MCF 2.15633
5 2AQJ TRP 2.39234
6 2AQJ FAD 2.39234
7 1WDA BAG 2.68657
8 4R6W PC 2.71318
9 4I42 1HA 2.80702
10 5OSW DIU 2.87081
11 1VRP ADP 2.88714
12 5HCY 60D 3.02115
13 1U6R ADP 3.15789
14 5Z6T NAP 3.207
15 4AVV CD 3.43137
16 4FJU GLV 3.7037
17 5AK8 ALA ARG 3.82775
18 3EPW JMQ 3.84615
19 4G86 BNT 4.22535
20 4ZW9 BGC 4.30622
21 4ZW9 GLC 4.30622
22 2JBM SRT 4.34783
23 5UC9 MYR 4.42478
24 3K8D CTP 4.54545
25 1UH4 GLC GLC GLC 4.78469
26 3JDW ORN 5.02392
27 2UVO NAG 5.26316
28 3RLF ANP 5.40541
29 4CQ5 TCA 5.74163
30 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 5.74713
31 3LLI FAD 5.74713
32 4B1M FRU FRU 5.94595
33 2VVL FAD 5.98086
34 6FKW PQQ 5.98086
35 3LU1 NAD 6.59341
36 2PHX MAN MAN MAN MAN 7.89474
37 2GND MAN MMA 7.89474
38 1Q8V MAN MAN MAN 7.89474
39 2AUY NAG MAN MMA 7.89474
40 2AR6 NAG MAN MAN MAN NAG 7.89474
41 2AR6 NAG MAN 7.89474
42 6AMI TRP 8.58586
43 6AM8 PLT 8.58586
44 1YNH SUO 8.61244
45 6B2W AG2 9.60961
46 1JR8 FAD 11.1111
47 3PG7 PTY 13.2812
48 4DE2 DN3 14.4487
49 4DE3 DN8 14.4487
50 3HRD FAD 17.8788
51 2JAJ D20 19.0311
52 2CI5 HCS 25.3521
53 1H70 CIR 27.8431
Pocket No.: 2; Query (leader) PDB : 2A9G; Ligand: ARG; Similar sites found with APoc: 31
This union binding pocket(no: 2) in the query (biounit: 2a9g.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 6G1P CIT 1.42857
2 5GUD NDP 1.91388
3 5XWC 2IT 1.91388
4 5XWC 8GL 1.91388
5 5XWC NAP 1.91388
6 5GUD 2IT 1.91388
7 5F7J ADE 2.5
8 1V7C HEY 2.5641
9 2Q0L FAD 2.57235
10 1SB8 UD2 2.84091
11 1SB8 NAD 2.84091
12 2WET FAD 2.87081
13 1LVL FAD 2.87081
14 2B3D FAD 2.94118
15 1I0B PEL 3.31325
16 1U1I NAD 3.31633
17 4L9Z OXL 3.53982
18 4B1W ATP 3.7234
19 1FEC FAD 4.30622
20 3ETG NDP 4.30622
21 3ETG GLU 4.30622
22 2WPF WPF 4.54545
23 2WPF FAD 4.54545
24 1W2Y DUN 4.80349
25 3BAZ NAP 4.8048
26 5ZZB ATP 5.14706
27 1NVM NAD 6.73077
28 1HZP DAO 7.16418
29 4WN5 MVC 8.69565
30 3SJH ATP 11.1111
31 2X6T NAP 15.126
Pocket No.: 3; Query (leader) PDB : 2A9G; 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: 2a9g.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2A9G; Ligand: ARG; Similar sites found with APoc: 22
This union binding pocket(no: 4) in the query (biounit: 2a9g.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3TTY GLA 1.91388
2 6F30 UD1 1.91388
3 4GNC ASO 2.00669
4 6CI9 F3V 2.7027
5 3B6R ADP 3.41207
6 1MI3 NAD 3.41615
7 1A8R GTP 3.61991
8 2PR5 FMN 3.78788
9 3GE7 AFQ 3.88601
10 1OQC FAD 4.8
11 4GCZ FMN 4.93506
12 2UVO NDG 5.26316
13 2Z6D FMN 6.15385
14 3T50 FMN 6.25
15 1QM5 GLC GLC GLC PO4 SGC GLC 7.89474
16 1QM5 PLP 7.89474
17 2D0V PQQ 8.33333
18 6H3O FAD 9.09091
19 1AJS PLA 10.4369
20 2A2C NG1 13.8756
21 2A2C ADP 13.8756
22 4TYO 39X 17.8862
Pocket No.: 5; Query (leader) PDB : 2A9G; Ligand: ARG; Similar sites found with APoc: 30
This union binding pocket(no: 5) in the query (biounit: 2a9g.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3KRB NAP 2.09581
2 4WHZ 3NL 2.5974
3 3C8E GSH 2.77778
4 1RM0 NAI 2.87081
5 5A89 FMN 3.20513
6 4AVV GHE 3.43137
7 4RPO T6C 3.58744
8 4N2R AHR 3.59281
9 4R74 F6P 3.73832
10 1IGW PYR 3.82775
11 5MDH MAK 3.9039
12 5AZ1 NDP 4.24929
13 1GET FAD 4.30622
14 2E5V FAD 5.02392
15 1SUW NAP 5.22088
16 5YJ1 6EL 5.40541
17 5YIZ EF2 5.40541
18 5YJ0 EF2 5.40541
19 3WLE NAD 5.57185
20 4BIX ADP 5.7047
21 2GZ3 NAP 6.28415
22 3WCZ NAP 6.49351
23 9LDT OXM 7.22892
24 5EYP GTP 7.69231
25 1Q8P MAN MMA 7.89474
26 1DJN FMN 9.09091
27 1TIW TFB 9.33014
28 1TIW FAD 9.33014
29 1DB1 VDX 10.4247
30 5FII PHE 13.7255
Pocket No.: 6; Query (leader) PDB : 2A9G; 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: 2a9g.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2A9G; 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: 7) in the query (biounit: 2a9g.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2A9G; 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: 8) in the query (biounit: 2a9g.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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