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Receptor
PDB id Resolution Class Description Source Keywords
4K30 2.1 Å EC: 2.3.1.1 STRUCTURE OF THE N-ACETYLTRANSFERASE DOMAIN OF HUMAN N-ACETY SYNTHASE HOMO SAPIENS GCN5-RALATED N-ACETYLTRANSFERASE FOLD SYNTHASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE N-ACETYLTRANSFERASE DOMAIN N-ACETYL-L-GLUTAMATE SYNTHASE IN COMPLEX WITH N-ACETYL-L-GLUTAMATE PROVIDES INSIGHTS INTO ITS CAT AND REGULATORY MECHANISMS. PLOS ONE V. 8 70369 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NLG B:600;
Y:600;
A:600;
X:600;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
189.166 C7 H11 N O5 CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4K30 2.1 Å EC: 2.3.1.1 STRUCTURE OF THE N-ACETYLTRANSFERASE DOMAIN OF HUMAN N-ACETY SYNTHASE HOMO SAPIENS GCN5-RALATED N-ACETYLTRANSFERASE FOLD SYNTHASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE N-ACETYLTRANSFERASE DOMAIN N-ACETYL-L-GLUTAMATE SYNTHASE IN COMPLEX WITH N-ACETYL-L-GLUTAMATE PROVIDES INSIGHTS INTO ITS CAT AND REGULATORY MECHANISMS. PLOS ONE V. 8 70369 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4K30 - NLG C7 H11 N O5 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4K30 - NLG C7 H11 N O5 CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4K30 - NLG C7 H11 N O5 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 4K30; Ligand: NLG; Similar sites found with APoc: 38
This union binding pocket(no: 1) in the query (biounit: 4k30.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4U9W COA None
2 5FVJ ACO None
3 6DUB SAH None
4 4KVX ACO None
5 2ZFN ACO 1.875
6 1QSR ACO 2.5
7 4KOT CE3 2.5
8 6BA2 7KM 3.125
9 1KEV NDP 3.125
10 4TXI FAD 3.75
11 2YNE NHW 4.375
12 2YNE YNE 4.375
13 5GK9 ACO 4.375
14 1I1D 16G 4.375
15 2VBQ BSJ 5
16 1QSM ACO 5.92105
17 5HGZ ACO 6.25
18 4GVS F4M 6.25
19 3TO7 COA 6.25
20 4L6C 0BT 7.5
21 1G60 SAM 8.75
22 3BIY 01K 9.375
23 1WWZ ACO 9.43396
24 2FT0 ACO 10
25 4OXI GAP 11.25
26 2ZPA ACO 11.25
27 2CNT COA 11.875
28 1P0H COA 12.5
29 1P0H ACO 12.5
30 2Y4O DLL 13.125
31 1KUV CA5 13.75
32 1CJW COT 13.75
33 6G96 ACO 14.375
34 5FAW CHT 15
35 5KF9 ACO 17.5
36 5H86 BCO 21.25
37 5LKT BCO 21.25
38 2JEV NHQ 25.625
Pocket No.: 2; Query (leader) PDB : 4K30; Ligand: NLG; 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: 4k30.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4K30; Ligand: NLG; Similar sites found with APoc: 76
This union binding pocket(no: 3) in the query (biounit: 4k30.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4DS0 A2G GAL NAG FUC None
2 3R96 ACO None
3 3R96 AMP None
4 4M52 M52 None
5 5XK9 GST 1.25
6 5XK9 DMA 1.25
7 5H20 GLC 1.8018
8 2PA4 UPG 2.5
9 4UWJ 7L5 3.125
10 4UWJ MYA 3.125
11 1ZGD NAP 3.125
12 1M4I PAP 3.125
13 1M4I KAN 3.125
14 1M4I COA 3.125
15 1GHE ACO 3.125
16 3PPQ CHT 3.125
17 3T34 GDP 3.125
18 3R6K FUC GAL GLA 3.75
19 2O3Z AI7 3.75
20 3TE4 ACO 3.75
21 5WHT SIA GAL 4.34783
22 3OYZ ACO 4.375
23 1RSG FAD 4.375
24 1VP5 NAP 4.375
25 1YY5 FAD 4.375
26 1I1D COA 4.375
27 2RAB FAD 4.375
28 1TIQ COA 4.375
29 4RPO T6C 4.375
30 2R5N RP5 4.375
31 2R5N R5P 4.375
32 2R5N TPP 4.375
33 2WMC MGP 4.375
34 2FKA BEF 4.65116
35 2VVL FAD 5
36 2VVM FAD 5
37 2IV2 MGD 5
38 5OFW 9TW 5
39 1ZXM ANP 5
40 5XDT MB3 5.19481
41 2H21 SAM 5.625
42 5J60 FAD 5.625
43 4CT7 TRP 5.625
44 5HGZ MLA 6.25
45 3H7U NAP 6.25
46 1V47 ADX 6.875
47 2OFV 242 6.875
48 3ZJ0 ACO 7.76699
49 3CV7 C2U 8.125
50 3CV7 NAP 8.125
51 2VZZ SCA 8.75
52 3HCN CHD 10
53 5X7Q GLC GLC GLC GLC 10
54 5X7Q GLC GLC GLC 10
55 4FWE FAD 10
56 2GKS ADP 10
57 4GUS FAD 10
58 1M15 ARG 10
59 1M15 ADP 10
60 3K9U ACO 10.6918
61 5F1R 42O 11.25
62 4L9Z COA 11.25
63 4L9Z OXL 11.25
64 3N75 G4P 11.875
65 1VBJ NAP 11.875
66 2Q4V ACO 12.5
67 4MAF ADX 12.5
68 1PVC ILE SER GLU VAL 13.2353
69 1X7D NAD 14.375
70 5MU6 MYA 15
71 5MU6 KFK 15
72 4CNK FAD 15
73 2F5Z FAD 15.625
74 3KRB NAP 15.625
75 4NRT 2NG 16.875
76 3JUK UPG 16.875
Pocket No.: 4; Query (leader) PDB : 4K30; Ligand: NLG; Similar sites found with APoc: 41
This union binding pocket(no: 4) in the query (biounit: 4k30.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1JOC ITP None
2 3K9W ADE None
3 3K9W 4PS None
4 4IO2 GLU 1.875
5 3X1M COA 1.88679
6 2WSA MYA 3.125
7 2WSA 646 3.125
8 3QVP FAD 3.125
9 4RDN 6MD 3.125
10 1NE7 16G 3.125
11 5TTJ FAD 3.75
12 4JNA FAD 3.75
13 1M9H NAD 3.75
14 3O3R NAP 3.75
15 5WHT SIA 4.34783
16 5WHT SIA GAL GLC 4.34783
17 1ZK7 FAD 4.375
18 1V7C HEY 4.375
19 4RHS SIA SIA GAL 4.91803
20 3RNM FAD 5
21 5N53 8NB 5
22 5T96 79J 5
23 1C3V NDP 5.625
24 1Q6O LG6 5.625
25 1L5Y BEF 6.45161
26 6C6O ENG 6.875
27 1BOB ACO 8.125
28 1USF NAP 8.75
29 5TS5 FAD 8.75
30 1REO FAD 8.75
31 1QZR ANP 8.75
32 2J4D FAD 9.375
33 4HSU FAD 10
34 3RT4 LP5 10
35 4GUT FAD 10
36 1P7T ACO 10.625
37 6BE0 COA 11.25
38 5EOO CIT 11.875
39 5A0U CHT 15
40 1H82 GZZ 18.75
41 2Y91 98J 21.875
Pocket No.: 5; Query (leader) PDB : 4K30; Ligand: NLG; Similar sites found with APoc: 27
This union binding pocket(no: 5) in the query (biounit: 4k30.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6CHP F0Y None
2 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
3 3IT7 TLA 1.875
4 4Z9D NAD 2.5
5 3WYJ H78 3.75
6 1EKO I84 3.75
7 1EKO NAP 3.75
8 4OOP DUP 3.75
9 5KTC COA 4.375
10 5KTC FUH 4.375
11 3KL3 GCU 4.375
12 4A91 GLU 4.375
13 4GV4 MEJ 5
14 5DK4 5BX 6.875
15 5DK4 ATP 6.875
16 1DNP FAD 6.875
17 4XSH NAI 6.875
18 3A5Z KAA 6.875
19 5TVJ 7LF 7.5
20 5TVJ COA 7.5
21 1TOX NAD 8.75
22 3CV6 NAP 8.75
23 3CV6 HXS 8.75
24 2JAR UMP 13.125
25 1GZF NAD 13.75
26 1X7D ORN 14.375
27 2OG7 SIN 15.625
Pocket No.: 6; Query (leader) PDB : 4K30; Ligand: NLG; 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: 4k30.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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