Receptor
PDB id Resolution Class Description Source Keywords
2jlb 2.5 Å NON-ENZYME: OTHER XANTHOMONAS CAMPESTRIS PUTATIVE OGT (XCC0866), COMPLEX WITH UDP-GLCNAC PHOSPHONATE ANALOGUE XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS PROTEIN O-GLCNACYLATION TRANSFERASE OGT GT-B TPR REPEATGLYCOSYL TRANSFERASE
Ref.: STRUCTURAL INSIGHTS INTO MECHANISM AND SPECIFICITY O-GLCNAC TRANSFERASE. EMBO J. V. 27 2780 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:1571;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
MN A:1570;
B:1570;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
54.938 Mn [Mn+2...
UDM A:1569;
B:1569;
 Valid;
Valid;
 none;
none;
 Kd = 4.2 uM
605.381 C18 H29 N3 O16 P2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JLB 2.5 Å NON-ENZYME: OTHER XANTHOMONAS CAMPESTRIS PUTATIVE OGT (XCC0866), COMPLEX WITH UDP-GLCNAC PHOSPHONATE ANALOGUE XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS PROTEIN O-GLCNACYLATION TRANSFERASE OGT GT-B TPR REPEATGLYCOSYL TRANSFERASE
Ref.: STRUCTURAL INSIGHTS INTO MECHANISM AND SPECIFICITY O-GLCNAC TRANSFERASE. EMBO J. V. 27 2780 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2JLB Kd = 4.2 uM UDM C18 H29 N3 O16 P2 CC(=O)N[C@....
2 2XGS Kd = 0.53 mM 44P C10 H16 N2 O11 P2 C1=CN(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2JLB Kd = 4.2 uM UDM C18 H29 N3 O16 P2 CC(=O)N[C@....
2 2XGS Kd = 0.53 mM 44P C10 H16 N2 O11 P2 C1=CN(C(=O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2JLB Kd = 4.2 uM UDM C18 H29 N3 O16 P2 CC(=O)N[C@....
2 2XGS Kd = 0.53 mM 44P C10 H16 N2 O11 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: UDM; Similar ligands found: 77
No: Ligand ECFP6 Tc MDL keys Tc
1 UDM 1 1
2 URM 0.755556 0.985507
3 660 0.755556 0.985507
4 UD1 0.683168 0.957143
5 UD2 0.683168 0.957143
6 UDP 0.636364 0.914286
7 HP7 0.622642 0.942857
8 UPU 0.617021 0.942029
9 UTP 0.615385 0.914286
10 HWU 0.611111 0.930556
11 12V 0.611111 0.930556
12 U5F 0.608696 0.914286
13 MJZ 0.601852 0.916667
14 UPG 0.59596 0.942857
15 UFM 0.59596 0.942857
16 GDU 0.59596 0.942857
17 UNP 0.595745 0.888889
18 EPZ 0.59292 0.943662
19 UD7 0.592593 0.929577
20 EEB 0.587719 0.930556
21 EPU 0.587719 0.930556
22 F5G 0.581818 0.929577
23 UD4 0.581818 0.916667
24 F5P 0.581818 0.916667
25 UDZ 0.575221 0.857143
26 U5P 0.568182 0.9
27 U 0.568182 0.9
28 UGA 0.567308 0.928571
29 UGB 0.567308 0.928571
30 U2F 0.563107 0.891892
31 UPF 0.563107 0.891892
32 AWU 0.558824 0.942857
33 Y6W 0.558824 0.944444
34 UPP 0.554455 0.915493
35 44P 0.549451 0.902778
36 UMA 0.54918 0.943662
37 UFG 0.548077 0.891892
38 UGF 0.54717 0.878378
39 2KH 0.541667 0.888889
40 UDH 0.539216 0.893333
41 USQ 0.537736 0.825
42 UAD 0.533333 0.942857
43 UDX 0.533333 0.942857
44 3UC 0.527778 0.891892
45 U22 0.523438 0.8625
46 U20 0.523438 0.884615
47 U21 0.523438 0.884615
48 UDP GAL 0.518868 0.915493
49 G3N 0.518519 0.916667
50 UDP UDP 0.515789 0.885714
51 4TC 0.5 0.835443
52 UAG 0.49635 0.918919
53 URI 0.488372 0.84058
54 UP5 0.483333 0.833333
55 CSV 0.473684 0.855263
56 CSQ 0.473684 0.855263
57 U3P 0.473118 0.885714
58 UA3 0.473118 0.885714
59 CJB 0.47191 0.826087
60 UD0 0.471429 0.825
61 4RA 0.467626 0.835443
62 IUG 0.466667 0.792683
63 UML 0.456376 0.884615
64 FZK 0.45283 0.783133
65 2QR 0.437956 0.85
66 PUP 0.4375 0.915493
67 LSU 0.436364 0.744186
68 U1S 0.429907 0.779221
69 PMP UD1 0.422535 0.814815
70 YSU 0.422414 0.752941
71 0RC 0.416667 0.868421
72 7XL 0.416667 0.891892
73 U2P 0.412371 0.9
74 C5G 0.408696 0.891892
75 UAG API 0.407643 0.883117
76 U4S 0.40404 0.736842
77 CDP 0.403846 0.864865
Similar Ligands (3D)
Ligand no: 1; Ligand: UDM; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JLB; Ligand: UDM; 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: 2jlb.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2JLB; Ligand: UDM; 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: 2jlb.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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