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 3 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 3 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 3 families.
1 4K30 - NLG C7 H11 N O5 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NLG; Similar ligands found: 23
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 D6E 0.52381 0.684211
9 SC2 0.515152 0.75
10 MUD 0.511628 0.65
11 BC8 0.5 0.722222
12 KSN 0.488372 0.787879
13 G01 0.487179 0.634146
14 16E 0.477273 0.8125
15 OLN 0.47619 0.692308
16 NIG 0.473684 0.69697
17 AAG 0.454545 0.634146
18 8DM 0.446809 0.702703
19 RDM 0.434783 0.8125
20 SN0 0.428571 0.84375
21 AE5 0.428571 0.605263
22 3O3 0.418605 0.605263
23 QRG 0.408163 0.682927
Similar Ligands (3D)
Ligand no: 1; Ligand: NLG; Similar ligands found: 172
No: Ligand Similarity coefficient
1 HCT 0.9819
2 HJ7 0.9435
3 HCA 0.9432
4 G88 0.9415
5 0GY 0.9383
6 NCD 0.9354
7 7QD 0.9319
8 GLY MET 0.9285
9 RSM 0.9285
10 SSM 0.9282
11 ICT 0.9275
12 CIT 0.9268
13 ALA GLN 0.9267
14 5XW 0.9213
15 AVO 0.9204
16 FLC 0.9192
17 ALA GLU 0.9161
18 TRA 0.9147
19 1AL 0.9114
20 GLY ASP 0.9106
21 P4B 0.9096
22 AQK 0.9090
23 CDT 0.9081
24 ALA LEU 0.9076
25 2ED 0.9075
26 EKN 0.9073
27 GLY LEU 0.9070
28 ACE PHE 0.9063
29 ING 0.9056
30 DG2 0.9041
31 TRC 0.9040
32 CCB 0.9036
33 DJN 0.9031
34 ALA LYS 0.9023
35 OTD 0.9021
36 AQQ 0.9000
37 4WK 0.9000
38 HHT 0.8996
39 PRE 0.8992
40 PCV 0.8991
41 5UK 0.8990
42 OKM 0.8981
43 BZS 0.8979
44 MIC 0.8974
45 NQM 0.8970
46 AVJ 0.8964
47 MMN 0.8958
48 MNP 0.8958
49 DMA 0.8956
50 8V0 0.8952
51 OMD 0.8944
52 X1R 0.8941
53 87L 0.8933
54 TNG 0.8932
55 0GZ 0.8926
56 7UZ 0.8919
57 MN9 0.8914
58 5LD 0.8912
59 DI9 0.8904
60 41K 0.8898
61 14W 0.8897
62 BRR 0.8896
63 M75 0.8896
64 S24 0.8892
65 NFQ 0.8883
66 ALA DGL 0.8880
67 NTC 0.8875
68 DI6 0.8872
69 0FA 0.8871
70 PMV 0.8848
71 XQB 0.8841
72 MZM 0.8840
73 X6P 0.8839
74 ISJ 0.8836
75 4A5 0.8836
76 M5B 0.8835
77 40F 0.8829
78 LHY 0.8828
79 IFG 0.8823
80 40H 0.8817
81 7A3 0.8816
82 DNF 0.8813
83 23N 0.8811
84 LEL 0.8804
85 FWB 0.8799
86 HLD 0.8797
87 ASF 0.8795
88 J01 0.8792
89 P23 0.8790
90 PJL 0.8789
91 TSR 0.8786
92 5XB 0.8784
93 NGA 0.8779
94 VPR 0.8778
95 6R8 0.8777
96 2PG 0.8775
97 AVI 0.8775
98 7A2 0.8775
99 3CR 0.8771
100 CE2 0.8768
101 DZA 0.8766
102 3S6 0.8764
103 9BF 0.8758
104 REL 0.8758
105 IPE 0.8757
106 SSC 0.8752
107 CS2 0.8749
108 C26 0.8748
109 5RP 0.8744
110 9SE 0.8736
111 U1K 0.8736
112 PPK 0.8731
113 AOZ 0.8729
114 NVU 0.8728
115 R1P 0.8727
116 5TO 0.8719
117 C4L 0.8718
118 T2D 0.8717
119 XEN 0.8715
120 MTL 0.8710
121 F12 0.8708
122 IAC 0.8702
123 IS3 0.8698
124 TX4 0.8697
125 O2Y 0.8696
126 8WQ 0.8695
127 U7E 0.8695
128 DLT 0.8692
129 VM1 0.8690
130 DXP 0.8686
131 2UZ 0.8683
132 43W 0.8682
133 LSQ 0.8680
134 3MF 0.8678
135 HQ9 0.8677
136 A5P 0.8675
137 NBB 0.8675
138 2C0 0.8674
139 NPA 0.8672
140 UN1 0.8672
141 NSG 0.8672
142 OW7 0.8671
143 2CG 0.8666
144 3S4 0.8665
145 0CG 0.8655
146 IOP 0.8655
147 NZ2 0.8654
148 S3P 0.8650
149 CSN 0.8650
150 AH8 0.8644
151 GVM 0.8644
152 GNL 0.8642
153 QUS 0.8639
154 PD2 0.8635
155 TZM 0.8632
156 RES 0.8630
157 MAH 0.8630
158 IOS 0.8627
159 LFC 0.8621
160 263 0.8621
161 KDO 0.8611
162 INF 0.8602
163 PA5 0.8597
164 P80 0.8589
165 RD4 0.8580
166 DER 0.8579
167 XYH 0.8564
168 2EH 0.8559
169 AKG 0.8558
170 2F6 0.8555
171 EWG 0.8554
172 K48 0.8544
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4k30.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4k30.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; 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: 4) in the query (biounit: 4k30.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; 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: 5) in the query (biounit: 4k30.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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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