Receptor
PDB id Resolution Class Description Source Keywords
2XGS 2.39 Å NON-ENZYME: OTHER XCOGT IN COMPLEX WITH C-UDP XANTHOMONAS CAMPESTRIS TRANSFERASE
Ref.: SUBSTRATE AND PRODUCT ANALOGUES AS HUMAN O-GLCNAC TRANSFERASE INHIBITORS. AMINO ACIDS V. 40 781 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
44P A:1569;
B:1569;
Valid;
Valid;
none;
none;
Kd = 0.53 mM
402.188 C10 H16 N2 O11 P2 C1=CN...
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: 44P; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 44P 1 1
2 U 0.790323 0.941176
3 U5P 0.790323 0.941176
4 UDP 0.720588 0.955882
5 UDP UDP 0.695652 0.898551
6 UTP 0.690141 0.955882
7 U5F 0.680556 0.955882
8 2KH 0.680556 0.928571
9 UNP 0.662162 0.928571
10 Y6W 0.65 0.90411
11 UPU 0.644737 0.9
12 660 0.617284 0.915493
13 URM 0.617284 0.915493
14 UPP 0.604938 0.901408
15 UDH 0.604938 0.88
16 URI 0.603175 0.826087
17 GDU 0.597561 0.901408
18 UFM 0.597561 0.901408
19 UPG 0.597561 0.901408
20 U2F 0.595238 0.853333
21 UPF 0.595238 0.853333
22 AWU 0.590361 0.901408
23 UAD 0.576471 0.928571
24 UDX 0.576471 0.928571
25 UFG 0.576471 0.853333
26 UGF 0.574713 0.864865
27 UC5 0.573333 0.942857
28 UGA 0.563218 0.914286
29 USQ 0.563218 0.8125
30 UGB 0.563218 0.914286
31 UDP GAL 0.55814 0.875
32 G3N 0.556818 0.902778
33 CJB 0.552239 0.785714
34 3UC 0.550562 0.853333
35 UDM 0.549451 0.902778
36 UA3 0.527778 0.898551
37 U3P 0.527778 0.898551
38 UD1 0.521277 0.888889
39 UD2 0.521277 0.888889
40 CSQ 0.516129 0.818182
41 CSV 0.516129 0.818182
42 U4S 0.513514 0.746667
43 FZK 0.511905 0.771084
44 HP7 0.510417 0.901408
45 UD7 0.510417 0.888889
46 MJZ 0.505155 0.876712
47 U2S 0.5 0.76
48 U3S 0.5 0.746667
49 F5P 0.5 0.876712
50 HWU 0.5 0.864865
51 12V 0.5 0.864865
52 F5G 0.5 0.888889
53 4TC 0.5 0.846154
54 UD4 0.5 0.876712
55 UP5 0.49505 0.820513
56 2TM 0.493976 0.944444
57 IUG 0.49 0.780488
58 LSU 0.488636 0.732558
59 U2P 0.486486 0.913043
60 UDZ 0.480392 0.820513
61 EPZ 0.471154 0.876712
62 YSU 0.468085 0.741176
63 EPU 0.466667 0.864865
64 EEB 0.466667 0.864865
65 DKX 0.465753 0.716216
66 U1S 0.465116 0.74359
67 UUA 0.457143 0.73913
68 UTP U U U 0.455556 0.857143
69 5FU 0.454545 0.876712
70 CAR 0.448718 0.888889
71 C 0.448718 0.888889
72 C5P 0.448718 0.888889
73 CNU 0.444444 0.888889
74 5BU 0.443038 0.876712
75 UMF 0.441558 0.821918
76 PUP 0.44086 0.928571
77 UMA 0.433628 0.876712
78 UMP 0.43038 0.914286
79 DU 0.43038 0.914286
80 16B 0.419753 0.853333
81 S5P 0.417722 0.878378
82 CDP 0.416667 0.902778
83 0RC 0.41573 0.855263
84 U22 0.411765 0.804878
85 U20 0.411765 0.825
86 U21 0.411765 0.825
87 2TU 0.410959 0.743243
88 UP6 0.405063 0.835616
89 2QR 0.404959 0.8375
90 DUD 0.404762 0.928571
91 N3E 0.404762 0.727273
92 DUT 0.402299 0.928571
93 CTP 0.402299 0.902778
94 HF4 0.402299 0.902778
95 7XL 0.4 0.878378
96 CDP MG 0.4 0.849315
97 BMP 0.4 0.928571
Similar Ligands (3D)
Ligand no: 1; Ligand: 44P; Similar ligands found: 7
No: Ligand Similarity coefficient
1 GCQ 0.9120
2 DUN 0.9108
3 ADX 0.8791
4 YYY 0.8784
5 AP2 0.8740
6 FZQ 0.8654
7 FZT 0.8588
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
APoc FAQ
Feedback