Receptor
PDB id Resolution Class Description Source Keywords
1P31 1.85 Å EC: 6.3.2.8 CRYSTAL STRUCTURE OF UDP-N-ACETYLMURAMIC ACID:L-ALANINE LIGA FROM HAEMOPHILUS INFLUENZAE HAEMOPHILUS INFLUENZAE ALPHA/BETA PROTEIN LIGASE
Ref.: CRYSTAL STRUCTURES OF ACTIVE FULLY ASSEMBLED SUBSTR PRODUCT-BOUND COMPLEXES OF UDP-N-ACETYLMURAMIC ACID:L-ALANINE LIGASE (MURC) FROM HAEMOPHILUS INFLU J.BACTERIOL. V. 185 4152 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EPU A:598;
B:602;
Valid;
Valid;
none;
none;
submit data
677.4 C20 H29 N3 O19 P2 CC(=O...
MG A:611;
A:776;
B:601;
B:710;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1P31 1.85 Å EC: 6.3.2.8 CRYSTAL STRUCTURE OF UDP-N-ACETYLMURAMIC ACID:L-ALANINE LIGA FROM HAEMOPHILUS INFLUENZAE HAEMOPHILUS INFLUENZAE ALPHA/BETA PROTEIN LIGASE
Ref.: CRYSTAL STRUCTURES OF ACTIVE FULLY ASSEMBLED SUBSTR PRODUCT-BOUND COMPLEXES OF UDP-N-ACETYLMURAMIC ACID:L-ALANINE LIGASE (MURC) FROM HAEMOPHILUS INFLU J.BACTERIOL. V. 185 4152 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1P31 - EPU C20 H29 N3 O19 P2 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 1P31 - EPU C20 H29 N3 O19 P2 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 1P31 - EPU C20 H29 N3 O19 P2 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EPU; Similar ligands found: 68
No: Ligand ECFP6 Tc MDL keys Tc
1 EPU 1 1
2 EPZ 0.770642 0.957747
3 EEB 0.747748 0.944444
4 UD2 0.742857 0.971429
5 UD1 0.742857 0.971429
6 U21 0.704918 0.85
7 U20 0.704918 0.85
8 UMA 0.697479 0.957747
9 HP7 0.681818 0.957143
10 MJZ 0.675676 0.930556
11 UD7 0.666667 0.943662
12 UPG 0.644231 0.957143
13 UFM 0.644231 0.957143
14 GUD 0.644231 0.957143
15 GDU 0.644231 0.957143
16 UD4 0.640351 0.930556
17 F5G 0.640351 0.943662
18 F5P 0.640351 0.930556
19 UDZ 0.632479 0.87013
20 UAG 0.626866 0.906667
21 UPF 0.611111 0.905405
22 U2F 0.611111 0.905405
23 UGA 0.6 0.942857
24 UGB 0.6 0.942857
25 U22 0.6 0.829268
26 UFG 0.59633 0.905405
27 UDM 0.587719 0.930556
28 HWU 0.584746 0.917808
29 12V 0.584746 0.917808
30 UML 0.575342 0.85
31 USQ 0.571429 0.814815
32 UDX 0.567568 0.929577
33 UAD 0.567568 0.929577
34 UDP 0.554455 0.901408
35 UTP 0.553398 0.901408
36 G3N 0.552632 0.90411
37 UD0 0.542253 0.8375
38 660 0.540541 0.916667
39 URM 0.540541 0.916667
40 4RA 0.528169 0.848101
41 UPU 0.527778 0.928571
42 IUG 0.524194 0.804878
43 UNP 0.523364 0.876712
44 3UC 0.521368 0.905405
45 U 0.49505 0.887324
46 U5P 0.49505 0.887324
47 UDH 0.491228 0.833333
48 UPP 0.491228 0.902778
49 2KH 0.477064 0.876712
50 C5G 0.470588 0.905405
51 44P 0.466667 0.864865
52 2QR 0.458333 0.839506
53 Y6W 0.457627 0.88
54 UDP UDP 0.453704 0.873239
55 UAG API 0.453416 0.848101
56 UP5 0.44697 0.822785
57 2GW 0.440945 0.944444
58 4TC 0.42963 0.802469
59 1GW 0.428571 0.906667
60 CSQ 0.425197 0.844156
61 CSV 0.425197 0.844156
62 URI 0.424242 0.828571
63 PMP UD1 0.414474 0.82716
64 UMA FGA LYS DAL DAL 0.412791 0.817073
65 CJB 0.411765 0.814286
66 U U 0.406504 0.888889
67 U3P 0.401869 0.873239
68 UA3 0.401869 0.873239
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P31; Ligand: EPU; 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: 1p31.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1P31; Ligand: EPU; 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: 1p31.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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