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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 1443 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 1205 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 1039 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: 73
No: Ligand ECFP6 Tc MDL keys Tc
1 UDM 1 1
2 URM 0.755556 0.985507
3 660 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 12V 0.611111 0.930556
11 HWU 0.611111 0.930556
12 MJZ 0.601852 0.916667
13 GDU 0.59596 0.942857
14 UFM 0.59596 0.942857
15 GUD 0.59596 0.942857
16 UPG 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 F5P 0.581818 0.916667
24 UD4 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 Y6W 0.558824 0.944444
33 UPP 0.554455 0.915493
34 44P 0.549451 0.902778
35 UMA 0.54918 0.943662
36 UFG 0.548077 0.891892
37 2KH 0.541667 0.888889
38 UDH 0.539216 0.893333
39 USQ 0.537736 0.825
40 UAD 0.533333 0.942857
41 UDX 0.533333 0.942857
42 3UC 0.527778 0.891892
43 U21 0.523438 0.884615
44 U20 0.523438 0.884615
45 U22 0.523438 0.8625
46 G3N 0.518519 0.916667
47 UDP UDP 0.515789 0.885714
48 4TC 0.5 0.835443
49 UAG 0.49635 0.918919
50 URI 0.488372 0.84058
51 UP5 0.483333 0.833333
52 CSV 0.473684 0.855263
53 CSQ 0.473684 0.855263
54 U3P 0.473118 0.885714
55 UA3 0.473118 0.885714
56 CJB 0.47191 0.826087
57 UD0 0.471429 0.825
58 U U 0.46789 0.901408
59 4RA 0.467626 0.835443
60 IUG 0.466667 0.792683
61 UML 0.456376 0.884615
62 2QR 0.437956 0.85
63 PUP 0.4375 0.915493
64 U1S 0.429907 0.779221
65 A U 0.425197 0.810127
66 PMP UD1 0.422535 0.814815
67 7XL 0.416667 0.891892
68 U2P 0.412371 0.9
69 C5G 0.408696 0.891892
70 G U 0.407692 0.771084
71 UAG API 0.407643 0.883117
72 U4S 0.40404 0.736842
73 CDP 0.403846 0.864865
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: 48
This union binding pocket(no: 1) in the query (biounit: 2jlb.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 2QZS GLC 1.03093
3 2QZS ADP 1.03093
4 2QZS 250 1.03093
5 1G3Q ADP 1.68776
6 6BK3 UDP 1.71306
7 5ENZ UDP 1.81818
8 5NDB 8TW 2
9 2ACV UDP 2.15983
10 4ZDJ UTP 2.46479
11 3NEM ATP 2.51142
12 6CB2 OLC 2.73038
13 3VOZ 04A 2.85714
14 4X1T UDP 2.94118
15 3BEO UDP 3.2
16 3GUZ PAF 3.40909
17 5LX9 OLB 3.58306
18 5NV8 TRH 3.58974
19 2BMB PMM 3.66972
20 3ZUY TCH 3.71517
21 1YQT ADP 4.0493
22 4Z1D PEP 4.34783
23 3CV3 UDP 4.6798
24 1ION ADP 4.93827
25 2BEK ATP 5.44747
26 3G1Z AMP 5.52147
27 1VGV UD1 5.72917
28 1F6D UDP 5.85106
29 4NES UDP 5.88235
30 3BFV ADP 5.90406
31 1OYJ GSH 6.49351
32 2GEK GDP 6.89655
33 5AOG IAC 7.49186
34 2WTX UDP 7.59494
35 2WTX VDO 7.59494
36 1NJJ GET 7.76471
37 5XVS UDP 7.91557
38 2VCN ISZ 8.81226
39 4XCP PLM 10.5882
40 3RHZ UDP 11.5044
41 4U03 TLL 12.4122
42 3Q3H UDP 15.669
43 3OKP GDD 16.2437
44 3OKA GDD 16.7979
45 4N3A UDP 17.7817
46 4GYW UDP 17.7817
47 6MA3 JAJ 17.7817
48 5BNW 12V 46.1538
Pocket No.: 2; Query (leader) PDB : 2JLB; Ligand: UDM; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 2jlb.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3GDN MXN 1.91939
2 3ITJ CIT 2.36686
3 4DOO DAO 3.90244
4 1PVS 7HP 4.25532
5 4U03 GTP 12.4122
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