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Receptor
PDB id Resolution Class Description Source Keywords
3ZZH 2.1 Å EC: 2.7.2.8 CRYSTAL STRUCTURE OF THE AMINO ACID KINASE DOMAIN FROM SACCH CEREVISIAE ACETYLGLUTAMATE KINASE IN COMPLEX WITH ITS F EED-BACK INHIBITOR L-ARGININE SACCHAROMYCES CEREVISIAE TRANSFERASE ARGININE BIOSYNTHESIS
Ref.: INSIGHT ON AN ARGININE SYNTHESIS METABOLON FROM THE TETRAMERIC STRUCTURE OF YEAST ACETYLGLUTAMATE KINAS PLOS ONE V. 7 34734 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG C:1362;
Valid;
none;
submit data
175.209 C6 H15 N4 O2 C(C[C...
CL A:1359;
B:1367;
C:1360;
D:1367;
D:1368;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
EDO A:1353;
A:1354;
A:1355;
A:1356;
A:1357;
A:1358;
B:1351;
B:1352;
B:1353;
B:1354;
B:1355;
B:1356;
B:1357;
B:1358;
B:1359;
B:1360;
B:1361;
B:1362;
B:1363;
B:1364;
B:1365;
B:1366;
C:1351;
C:1352;
C:1353;
C:1354;
C:1355;
C:1356;
C:1357;
C:1358;
D:1352;
D:1353;
D:1354;
D:1355;
D:1356;
D:1357;
D:1358;
D:1359;
D:1360;
D:1361;
D:1362;
D:1363;
D:1364;
D:1365;
D:1366;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GOL C:1359;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MLI A:1360;
B:1368;
D:1369;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
NLG A:1361;
B:1369;
C:1361;
D:1370;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
189.166 C7 H11 N O5 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZZH 2.1 Å EC: 2.7.2.8 CRYSTAL STRUCTURE OF THE AMINO ACID KINASE DOMAIN FROM SACCH CEREVISIAE ACETYLGLUTAMATE KINASE IN COMPLEX WITH ITS F EED-BACK INHIBITOR L-ARGININE SACCHAROMYCES CEREVISIAE TRANSFERASE ARGININE BIOSYNTHESIS
Ref.: INSIGHT ON AN ARGININE SYNTHESIS METABOLON FROM THE TETRAMERIC STRUCTURE OF YEAST ACETYLGLUTAMATE KINAS PLOS ONE V. 7 34734 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3ZZH - NLG C7 H11 N O5 CC(=O)N[C@....
2 3ZZF - NLG C7 H11 N O5 CC(=O)N[C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3ZZH - NLG C7 H11 N O5 CC(=O)N[C@....
2 3ZZF - NLG C7 H11 N O5 CC(=O)N[C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3ZZH - NLG C7 H11 N O5 CC(=O)N[C@....
2 3ZZF - NLG C7 H11 N O5 CC(=O)N[C@....
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
Ligand no: 2; Ligand: NLG; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 NLG 1 1
2 NLQ 0.69697 0.903226
3 AN0 0.606061 0.83871
4 X2W 0.547619 0.682927
5 AME 0.540541 0.722222
6 AOR 0.540541 0.764706
7 SAC 0.53125 0.757576
8 SC2 0.515152 0.75
9 MUD 0.511628 0.65
10 BC8 0.5 0.722222
11 G01 0.487179 0.634146
12 16E 0.477273 0.8125
13 OLN 0.47619 0.692308
14 NIG 0.473684 0.69697
15 AAG 0.454545 0.634146
16 8DM 0.446809 0.702703
17 AE5 0.428571 0.605263
18 SN0 0.428571 0.84375
19 3O3 0.418605 0.605263
20 QRG 0.408163 0.682927
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZZH; Ligand: NLG; Similar sites found with APoc: 74
This union binding pocket(no: 1) in the query (biounit: 3zzh.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 6FX2 FUC C4W NAG BMA MAN NAG GAL None
2 1RYI FAD 1.9544
3 1RYI GOA 1.9544
4 1EWF PC1 1.9544
5 4TVD BGC 1.9544
6 4NCN GTP 1.9544
7 1ZX5 LFR 2
8 5NII FAD 2.28013
9 1QX4 FAD 2.28013
10 4RJK TPP 2.28013
11 3EYA TDP 2.60586
12 4FAJ LEU VAL THR LEU VAL PHE VAL 2.60586
13 3NC9 TR3 2.9316
14 3UZO GLU 2.9316
15 4B74 1LH 3.25733
16 1RM6 PCD 3.25733
17 6FK3 PPI 3.58306
18 2F1K NAP 3.58423
19 5EHS 2JJ 4.10448
20 5EHS 5OY 4.10448
21 4BLW SAH 4.15225
22 3O7J 2AL 4.2328
23 2CDC XYS 4.23453
24 4Z87 5GP 4.23453
25 3A2Q ACA ACA 4.23453
26 4PZ2 NAD 4.23453
27 4IP7 FBP 4.23453
28 4LEB THR THR THR THR THR THR THR 4.33333
29 3VBK COA 4.39024
30 5O96 SAM 4.4898
31 1E8G FAD 4.56026
32 1E8G FCR 4.56026
33 1PVN MZP 4.56026
34 1UPA TPP 4.56026
35 4LRL TTP 4.88599
36 1O6Z NAD 4.9505
37 4WZV E40 5
38 1YS4 NAP 5.21173
39 5XFV FMN 5.21173
40 3G6N MET ALA SER 5.2356
41 3MJY FMN 5.49133
42 3MJY IJZ 5.49133
43 4RD0 GDP 5.53746
44 5TWJ SAM 6.17284
45 3OIX FMN 6.18893
46 1EU8 TRE 6.18893
47 1YOA FAD 6.28931
48 5H20 GLC 6.30631
49 2DPM SAM 6.33803
50 3BP1 GUN 6.55172
51 4HDQ GNP 7.49186
52 1OVD ORO 7.81759
53 1OVD FMN 7.81759
54 4NJS G08 8.08081
55 4R57 ACO 8.52273
56 2Z49 AMG 8.79479
57 4WCX MET 8.79479
58 2Z48 NGA 8.79479
59 5B47 PYR 8.88158
60 5B47 TPP 8.88158
61 4ZOH MCN 9.12052
62 2V92 AMP 9.12052
63 2V92 ATP 9.12052
64 4X9M FAD 9.44625
65 5XDT GDP 10.7492
66 4Q4K FMN 11.0749
67 1N62 FAD 11.0749
68 1V3S ATP 12.069
69 3GGO NAI 14.0065
70 5Y6Q MCN 14.3322
71 5B48 TDN 14.3322
72 4AUT FAD 16.9381
73 1V2X SAM 23.7113
74 2DC1 NAD 24.1525
Pocket No.: 2; Query (leader) PDB : 3ZZH; Ligand: NLG; Similar sites found with APoc: 22
This union binding pocket(no: 2) in the query (biounit: 3zzh.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1S17 GNR 1.66667
2 1J6W MET 2.28571
3 1M2K APR 2.81124
4 1G4U GDP 2.9316
5 1Z4O GL1 4.0724
6 3UWB BB2 4.54545
7 2JFV FLC 5.15464
8 2YVK MRU 5.21173
9 4B2D FBP 5.21173
10 2YVJ FAD 5.50459
11 4OOE NDP 5.53746
12 4OOE FOM 5.53746
13 5CUQ NSC 5.61798
14 2Q37 3AL 6.07735
15 2RGO FAD 6.18893
16 3VZ3 NAP 6.51466
17 2P3C 3TL 8.08081
18 2BTO GTP 8.33333
19 4I5I NAD 8.36237
20 5FUI APY 10.6061
21 2Y8L AMP 21.9653
22 2Y8L ADP 21.9653
Pocket No.: 3; Query (leader) PDB : 3ZZH; Ligand: NLG; Similar sites found with APoc: 29
This union binding pocket(no: 3) in the query (biounit: 3zzh.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3FS1 MYR 1.30435
2 2X1L MET 1.9544
3 3RUV ANP 2.60586
4 5MTE BB2 2.91971
5 4D57 ARG AMP 3.25733
6 3FSY SCA 3.58306
7 2VHW NAI 3.90879
8 5DEY 59T 4.3771
9 2C42 TPP 4.88599
10 2C42 PYR 4.88599
11 1YP1 LYS ASN LEU 5.44554
12 2AIQ BEN 6.49351
13 3VZ3 SSN 6.51466
14 1Q3A NGH 6.66667
15 1SC3 MLI 6.81818
16 3GGU 017 7.07071
17 5JCM ISD 8.46906
18 5JCM NAD 8.46906
19 5JCM FAD 8.46906
20 4M8X KGQ 9.09091
21 1ON3 MCA 9.44625
22 5ZEC NAP 9.44625
23 3S43 478 10.101
24 5XDT MB3 10.7492
25 1IV2 CDP 11.1842
26 2BFR ADP 12.5
27 2XTS MTE 14.3322
28 5NWD 9C8 20.4082
29 3WV1 WHH 21.6374
Pocket No.: 4; Query (leader) PDB : 3ZZH; Ligand: NLG; Similar sites found with APoc: 19
This union binding pocket(no: 4) in the query (biounit: 3zzh.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5CLO NS8 None
2 1GPE FAD 1.9544
3 3GDN MXN 2.60586
4 1QM5 PLP 3.58306
5 1QM5 GLC GLC GLC PO4 SGC GLC 3.58306
6 4WZH FMN 4.23453
7 5I60 67W 4.23453
8 1NVM NAD 4.48718
9 1LDN NAD 6.51466
10 1QO8 FAD 6.84039
11 1CXZ GSP 6.97674
12 6AA8 NAD 7.94702
13 4KXQ APR 8.18505
14 2OYS FMN 8.67769
15 1SR7 MOF 11.1969
16 1HDR NAD 11.8852
17 3AXB PRO 14.658
18 3VMF GTP 21.4984
19 1SIV PSI 35.3535
Pocket No.: 5; Query (leader) PDB : 3ZZH; Ligand: ARG; Similar sites found with APoc: 57
This union binding pocket(no: 5) in the query (biounit: 3zzh.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3O55 FAD 1.6
2 2YNE NHW 1.9544
3 2YNE YNE 1.9544
4 4DFU QUE 1.9544
5 5M67 NAD 1.9544
6 5M67 ADE 1.9544
7 5M67 3D1 1.9544
8 4TMZ GSP 1.9544
9 1IIM TTP 2.05479
10 4GN8 ASO 2.34114
11 3I59 N6S 2.40964
12 3COB ADP 2.60586
13 1I1E DM2 2.9316
14 5NC1 NAG 2.95359
15 1Z0N BCD 3.125
16 5HV7 RBL 3.21101
17 4D57 ARG AMP 3.25733
18 4YRY FAD 3.26087
19 5L3S G 3.3557
20 3LRE ADP 3.66197
21 1TL2 NDG 3.81356
22 2VOH CIT 3.82166
23 3GD8 GOL 4.03587
24 2VVG ADP 4.23453
25 6DZN AE3 4.42478
26 4AKB GAL 4.51128
27 4UZI IMD 4.56026
28 5HXI FAD 4.56026
29 5G6U TRP 4.5977
30 5C5H 4YB 4.88599
31 6G0X RAM GLC GLA NAG NDG NAG 4.88599
32 1NXJ GLV 4.91803
33 2ZTS ADP 5.17928
34 2OM2 GDP 5.21173
35 5XFV FMN 5.21173
36 4C2C ALA ALA ALA 6.51466
37 5F1V 3VN 6.73401
38 1I1Q TRP 7.8125
39 1ZCB GDP 7.81759
40 3AB3 GDP 7.81759
41 3CX8 GSP 7.81759
42 3LN9 FLC 7.91367
43 1SBR VIB 8
44 3ETG GTP 8.38323
45 3ETG GLU 8.38323
46 3C3N FMN 8.79479
47 2Z48 NGA 8.79479
48 1ON3 DXX 9.44625
49 2BUP ADP 9.77199
50 2BUP ATP 9.77199
51 2RGJ FAD 12.0521
52 1T57 FMN 12.6214
53 5N1X 8HH 13.5593
54 2XT3 ADP 14.3322
55 1UGW GAL 15
56 1UGY GLA BGC 15
57 2ZFZ ARG 29.1139
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