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 1256 families.
1 2JLB Kd = 4.2 uM UDM C18 H29 N3 O16 P2 CC(=O)N[C@....
2 2XGS Kd = 0.11 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 1068 families.
1 2JLB Kd = 4.2 uM UDM C18 H29 N3 O16 P2 CC(=O)N[C@....
2 2XGS Kd = 0.11 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 922 families.
1 2JLB Kd = 4.2 uM UDM C18 H29 N3 O16 P2 CC(=O)N[C@....
2 2XGS Kd = 0.11 mM 44P C10 H16 N2 O11 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UDM; Similar ligands found: 72
No: Ligand ECFP6 Tc MDL keys Tc
1 UDM 1 1
2 660 0.755556 0.985507
3 URM 0.755556 0.985507
4 UD2 0.683168 0.957143
5 UD1 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 MJZ 0.601852 0.916667
13 GDU 0.59596 0.942857
14 UFM 0.59596 0.942857
15 UPG 0.59596 0.942857
16 GUD 0.59596 0.942857
17 UNP 0.595745 0.888889
18 EPZ 0.59292 0.943662
19 UD7 0.592593 0.929577
20 EPU 0.587719 0.930556
21 EEB 0.587719 0.930556
22 UD4 0.581818 0.916667
23 UDZ 0.575221 0.857143
24 U5P 0.568182 0.9
25 UGB 0.567308 0.928571
26 UGA 0.567308 0.928571
27 U2F 0.563107 0.891892
28 UPF 0.563107 0.891892
29 Y6W 0.558824 0.944444
30 UPP 0.554455 0.915493
31 44P 0.549451 0.902778
32 UMA 0.54918 0.943662
33 UFG 0.548077 0.891892
34 2KH 0.541667 0.888889
35 UDH 0.539216 0.893333
36 USQ 0.537736 0.825
37 UDX 0.533333 0.942857
38 UAD 0.533333 0.942857
39 3UC 0.527778 0.891892
40 U20 0.523438 0.884615
41 U21 0.523438 0.884615
42 U22 0.523438 0.8625
43 UDP GAL 0.518868 0.915493
44 G3N 0.518519 0.916667
45 UDP UDP 0.515789 0.885714
46 4TC 0.5 0.835443
47 UAG 0.49635 0.918919
48 U 0.488372 0.84058
49 URI 0.488372 0.84058
50 UP5 0.483333 0.833333
51 CSV 0.473684 0.855263
52 CSQ 0.473684 0.855263
53 UA3 0.473118 0.885714
54 U3P 0.473118 0.885714
55 CJB 0.47191 0.826087
56 UD0 0.471429 0.825
57 U U 0.46789 0.901408
58 4RA 0.467626 0.835443
59 IUG 0.466667 0.792683
60 UML 0.456376 0.884615
61 2QR 0.437956 0.85
62 PUP 0.4375 0.915493
63 U1S 0.429907 0.779221
64 PMP UD1 0.425532 0.8
65 A U 0.425197 0.810127
66 7XL 0.416667 0.891892
67 UAG API 0.412903 0.894737
68 U2P 0.412371 0.9
69 C5G 0.408696 0.891892
70 U4S 0.40404 0.736842
71 CDP 0.403846 0.864865
72 CH 0.4 0.837838
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JLB; Ligand: UDM; Similar sites found: 26
This union binding pocket(no: 1) in the query (biounit: 2jlb.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.01146 0.42772 None
2 1G3Q ADP 0.01127 0.41508 1.68776
3 5TME UDP 0.01574 0.41189 1.71306
4 5ENZ UDP 0.006708 0.41452 1.81818
5 3NEM ATP 0.02179 0.4048 2.51142
6 3VOZ 04A 0.04672 0.40167 2.85714
7 3BEO UDP 0.007183 0.41678 3.2
8 1YQT ADP 0.03669 0.40361 4.0493
9 3CV3 UDP 0.0014 0.4454 4.6798
10 1ION ADP 0.002212 0.44485 4.93827
11 2BEK ATP 0.008359 0.40051 5.44747
12 3G1Z AMP 0.02456 0.4022 5.52147
13 1F6D UDP 0.003264 0.44592 5.85106
14 4NES UDP 0.006148 0.41624 5.88235
15 3BFV ADP 0.01307 0.41592 5.90406
16 2WTX UDP 0.006811 0.4045 7.59494
17 2WTX VDO 0.007241 0.4045 7.59494
18 1NJJ GET 0.03843 0.40298 7.76471
19 3RHZ UDP 0.002061 0.43383 11.5044
20 3Q3H UDP 0.00001483 0.57854 15.669
21 3OKP GDD 0.009683 0.41442 16.2437
22 5LWV UDP 0.0000000009971 0.66865 17.7817
23 4N3A UDP 0.000000001013 0.62928 17.7817
24 4N39 UDP 0.0000004548 0.61123 17.7817
25 4GYW UDP 0.00003076 0.53362 17.7817
26 5BNW 12V 0.000000001546 0.67352 46.1538
Pocket No.: 2; Query (leader) PDB : 2JLB; Ligand: UDM; Similar sites found: 4
This union binding pocket(no: 2) in the query (biounit: 2jlb.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ACV UDP 0.0177 0.40194 2.15983
2 3ITJ CIT 0.0278 0.42743 2.36686
3 3KRR DQX 0.01892 0.4047 2.71186
4 1PVS 7HP 0.02589 0.40276 4.25532
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