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Receptor
PDB id Resolution Class Description Source Keywords
1J2Z 2.1 Å EC: 2.3.1.129 CRYSTAL STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE ACYLTRANSFERASE HELICOBACTER PYLORI UDP-N-ACETYLGLUCOSAMINE ACYLTRANSFERASE LPXA LEFT-HANDED BSTRUCTURE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE ACYLTR FROM HELICOBACTER PYLORI PROTEINS V. 53 772 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:412;
A:413;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
SOG A:409;
Valid;
none;
submit data
308.434 C14 H28 O5 S CCCCC...
TLA A:410;
Invalid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1J2Z 2.1 Å EC: 2.3.1.129 CRYSTAL STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE ACYLTRANSFERASE HELICOBACTER PYLORI UDP-N-ACETYLGLUCOSAMINE ACYLTRANSFERASE LPXA LEFT-HANDED BSTRUCTURE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE ACYLTR FROM HELICOBACTER PYLORI PROTEINS V. 53 772 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1J2Z - SOG C14 H28 O5 S CCCCCCCCS[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1J2Z - SOG C14 H28 O5 S CCCCCCCCS[....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3I3X - U22 C29 H50 N4 O18 P2 CCCCCCCCC[....
2 3I3A - S2N C24 H47 N2 O9 P S CCCCCCCCC[....
3 2QIV - U21 C27 H45 N3 O19 P2 CCCCCCC[C@....
4 4J09 - THR ASN LEU TYR MET LEU n/a n/a
5 2QIA - U20 C31 H53 N3 O19 P2 CCCCCCCCCC....
6 4R37 - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
7 1J2Z - SOG C14 H28 O5 S CCCCCCCCS[....
8 5DG3 - U21 C27 H45 N3 O19 P2 CCCCCCC[C@....
9 5DEP - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SOG; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 SOG 1 1
2 HTG 0.977273 1
3 10M 0.634921 0.911111
4 PTQ 0.47541 0.744186
5 MSX MAN 0.457627 0.75
6 BOG 0.45 0.883721
7 HSJ 0.45 0.883721
8 BNG 0.45 0.883721
9 B7G 0.433333 0.883721
10 KGM 0.433333 0.883721
11 AFO 0.423729 0.8
12 JZR 0.416667 0.860465
13 GLC HEX 0.416667 0.860465
14 BHG 0.416667 0.860465
15 IPT 0.415094 0.72093
16 1LL 0.411765 0.744186
17 TDG 0.411765 0.744186
18 YDR 0.409836 0.727273
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1J2Z; Ligand: SOG; 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: 1j2z.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1J2Z; Ligand: SOG; Similar sites found with APoc: 39
This union binding pocket(no: 2) in the query (biounit: 1j2z.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1CTU ZEB 1.85185
2 5UCD NAP 1.85185
3 2O07 MTA 2.59259
4 2O07 SPD 2.59259
5 5LRT ADP 2.96296
6 1VA6 ADP 2.96296
7 1VA6 P2S 2.96296
8 4UYW H1S 2.96296
9 2Z3U CRR 4.81482
10 5W7R SAH 5.18518
11 5W7R 9Z7 5.18518
12 4AAW R84 6.66667
13 5L2R MLA 7.03704
14 1KGQ SCO 8.14815
15 1KGQ NPI 8.14815
16 1HV9 COA 8.51852
17 5E3Q SCA 8.51852
18 2WOX NDP 8.88889
19 3TWD GOB 10.3604
20 3FSY SCA 10.5422
21 4OYA 1VE 10.7407
22 3VBK COA 11.8519
23 3VBK 0FX 11.8519
24 1T90 NAD 12.5926
25 5T2Y 753 15.6566
26 2Q4W FAD 15.9259
27 1KRR ACO 16.7488
28 1SSQ CYS 18.3521
29 4MZU COA 18.8889
30 4MZU TDR 18.8889
31 4HZD COA 21.4815
32 3MQG UDP 23.9583
33 3MQG UDP UDP 23.9583
34 3MQG U5P 23.9583
35 3MQG ACO 23.9583
36 3FS8 ACO 25.5556
37 6GE9 ACO 27.7778
38 2WLG SOP 33.0233
39 2IU8 PLM 33.3333
Pocket No.: 3; Query (leader) PDB : 1J2Z; Ligand: SOG; 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: 1j2z.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1J2Z; Ligand: SOG; 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: 1j2z.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1J2Z; Ligand: SOG; 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: 1j2z.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1J2Z; Ligand: SOG; 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: 1j2z.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1J2Z; Ligand: SOG; Similar sites found with APoc: 54
This union binding pocket(no: 7) in the query (biounit: 1j2z.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1I36 NAP 1.89394
2 3ZCN ATP 2.1164
3 2PT9 S4M 2.18069
4 2PT9 2MH 2.18069
5 6MPT C30 2.22222
6 4EHU ANP 2.22222
7 2HW1 ANP 2.22222
8 3DZ6 M8E 2.24719
9 3K56 IS3 2.25564
10 2I7C AAT 2.4735
11 3CW9 AMP 2.59259
12 4I3V NAD 2.59259
13 1FDJ 2FP 2.59259
14 6AMI TRP 2.59259
15 3HVJ 705 2.71493
16 1KZN CBN 2.92683
17 3C6K MTA 2.96296
18 3C6K SPD 2.96296
19 3FV3 IVA VAL VAL STA ALA STA 2.96296
20 5N9X 8QN 2.96296
21 4TR9 ASP TRP ASN 2.96296
22 4RJK TPP 2.96296
23 2ANY BAM 3.3195
24 1I7M CG 3.37079
25 1WPY BTN 3.82979
26 2VSS ACO 4.07407
27 4IZC 1GZ 4.07407
28 2X1L ADN 4.07407
29 4DQ2 BTX 4.07407
30 5Y8L NAD 4.07407
31 5Y8L HUI 4.07407
32 1Q19 APC 4.07407
33 2Y5D NAP 4.44444
34 3VZ3 NAP 4.44444
35 5N5S NAP 4.81482
36 1U8V FAD 4.81482
37 4GKV NAD 4.81482
38 6B3V 7DQ 5.18518
39 4XTX 590 5.92593
40 5YSN 5AD 6.66667
41 2QE0 NAP 7.03704
42 5EOU ATP 7.03704
43 2H6T IVA VAL VAL STA ALA STA 7.40741
44 1ADO 13P 7.40741
45 1YB5 NAP 7.77778
46 5FAH 5VT 8.03571
47 2G50 PYR 8.14815
48 1O9J NAD 8.88889
49 5VWK PRO ALA TRP ASP GLU THR ASN LEU 9.01639
50 6HSP COA 9.62963
51 6HSJ COA 9.62963
52 5JIC ADP 15.0183
53 3FS8 TDR 25.5556
54 4RT1 C2E 26.7857
Pocket No.: 8; Query (leader) PDB : 1J2Z; Ligand: SOG; 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: 1j2z.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1J2Z; Ligand: SOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1j2z.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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