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Receptor
PDB id Resolution Class Description Source Keywords
2OEG 2.3 Å EC: 2.7.7.9 OPEN AND CLOSED STRUCTURES OF THE UDP-GLUCOSE PYROPHOSPHORYLASE FROM LEISHMANIA MAJOR LEISHMANIA MAJOR ROSSMANN-FOLD BETA-HELIX PYROPHOSPHORYLASE TRANSFERASE
Ref.: OPEN AND CLOSED STRUCTURES OF THE UDP-GLUCOSE PYROPHOSPHORYLASE FROM LEISHMANIA MAJOR. J.BIOL.CHEM. V. 282 13003 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UPG A:5206;
Valid;
none;
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566.302 C15 H24 N2 O17 P2 C1=CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OEG 2.3 Å EC: 2.7.7.9 OPEN AND CLOSED STRUCTURES OF THE UDP-GLUCOSE PYROPHOSPHORYLASE FROM LEISHMANIA MAJOR LEISHMANIA MAJOR ROSSMANN-FOLD BETA-HELIX PYROPHOSPHORYLASE TRANSFERASE
Ref.: OPEN AND CLOSED STRUCTURES OF THE UDP-GLUCOSE PYROPHOSPHORYLASE FROM LEISHMANIA MAJOR. J.BIOL.CHEM. V. 282 13003 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2OEG - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2OEG - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2OEG - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UPG; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 GUD 1 1
2 GDU 1 1
3 UPG 1 1
4 UFM 1 1
5 USQ 0.8 0.846154
6 U2F 0.797619 0.943662
7 UPF 0.797619 0.943662
8 UFG 0.797619 0.943662
9 UD2 0.73913 0.985294
10 UD1 0.73913 0.985294
11 UGB 0.738636 0.985075
12 UGA 0.738636 0.985075
13 UDP 0.717949 0.941176
14 UDX 0.715909 0.970588
15 UAD 0.715909 0.970588
16 UTP 0.7125 0.941176
17 IUG 0.693878 0.835443
18 G3N 0.692308 0.942857
19 C5G 0.688889 0.943662
20 660 0.681818 0.956522
21 URM 0.681818 0.956522
22 UPU 0.670588 0.970149
23 EPZ 0.650485 0.971014
24 3UC 0.648936 0.943662
25 UNP 0.647059 0.914286
26 EPU 0.644231 0.957143
27 EEB 0.644231 0.957143
28 U5P 0.641026 0.926471
29 U 0.641026 0.926471
30 UD7 0.636364 0.956522
31 HP7 0.636364 0.970588
32 2GW 0.632653 0.957143
33 MJZ 0.63 0.942857
34 F5G 0.623762 0.956522
35 UD4 0.623762 0.942857
36 F5P 0.623762 0.942857
37 UPP 0.615385 0.942029
38 UDH 0.615385 0.866667
39 UDZ 0.615385 0.88
40 UMA 0.598214 0.971014
41 44P 0.597561 0.901408
42 UDM 0.59596 0.942857
43 HWU 0.592233 0.929577
44 12V 0.592233 0.929577
45 1GW 0.590476 0.917808
46 2KH 0.586207 0.914286
47 Y6W 0.585106 0.916667
48 UDP UDP 0.576471 0.911765
49 U22 0.567797 0.8375
50 U20 0.567797 0.858974
51 U21 0.567797 0.858974
52 URI 0.552632 0.865672
53 CJB 0.551282 0.850746
54 UP5 0.527273 0.855263
55 UAG 0.523438 0.917808
56 2QR 0.520325 0.848101
57 DAU 0.519608 0.891892
58 UA3 0.511905 0.911765
59 U3P 0.511905 0.911765
60 CSV 0.504762 0.878378
61 CSQ 0.504762 0.878378
62 4TC 0.504425 0.833333
63 U U 0.5 0.927536
64 4RA 0.492308 0.857143
65 UD0 0.484848 0.846154
66 PUP 0.480392 0.887324
67 UML 0.478571 0.858974
68 U2P 0.476744 0.926471
69 CXY 0.471154 0.916667
70 GDD 0.463636 0.8
71 GKE 0.463636 0.8
72 GDC 0.463636 0.8
73 A U 0.461538 0.831169
74 HF4 0.447917 0.888889
75 CTP 0.447917 0.888889
76 CDP 0.446809 0.888889
77 ADQ 0.443396 0.828947
78 DKX 0.44186 0.774648
79 G U 0.441667 0.790123
80 U2S 0.43956 0.77027
81 UMF 0.438202 0.833333
82 U4S 0.433333 0.733333
83 DUT 0.43299 0.861111
84 U3S 0.423913 0.756757
85 5GW 0.421569 0.915493
86 DUD 0.421053 0.861111
87 5FU 0.417582 0.863014
88 C2G 0.417476 0.902778
89 UPA 0.416667 0.868421
90 U1S 0.415842 0.776316
91 7XL 0.415842 0.890411
92 U U U U 0.413462 0.913043
93 2TU 0.411765 0.777778
94 UTP U U U 0.409524 0.897059
95 139 0.406504 0.835443
96 APU 0.401639 0.831169
97 PMP UD1 0.40146 0.835443
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OEG; Ligand: UPG; Similar sites found with APoc: 49
This union binding pocket(no: 1) in the query (biounit: 2oeg.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZYN FAD 1.27389
2 4KQL 1SG 1.53509
3 1I52 CTP 2.11864
4 1W55 C 2.15633
5 6CAM BGC 2.25989
6 6BND OPE 2.32558
7 1IHU ADP 2.37624
8 1HV9 UD1 2.41228
9 4A05 CTT 2.57426
10 6F5W KG1 2.71003
11 1H7F C5P 2.85714
12 1PUA COA 3.06748
13 1ELI PYC 3.08483
14 5C9P FUC 3.14961
15 4YJK URA 3.1746
16 1H5R THM 3.41297
17 1H5T DAU 3.41297
18 1H5R G1P 3.41297
19 5Z0A NAG 3.42298
20 1IIM TTP 3.42466
21 1WVC CTP 3.4749
22 1FWY UD1 3.62538
23 3OBT SLB 3.91705
24 1H5S TMP 4.09556
25 2Y6P CTP 4.2735
26 3VOI RCB 4.55764
27 3DUV KDO 4.96183
28 2ZFZ ARG 5.06329
29 3BJE URA 5.15759
30 1YP4 ADP 5.54324
31 1YP4 ADQ 5.54324
32 2BMB PMM 5.54455
33 4MZU COA 6.08974
34 5VCM UDP 6.44391
35 4Y7U 2KH 6.49351
36 4Y7U 491 6.49351
37 2BO4 FLC 7.0529
38 6G47 SIA SIA 7.17703
39 1FRW GTP 7.73196
40 2XWL CTP 8.07175
41 3K8D CTP 8.33333
42 1LVW TYD 8.47458
43 4M1U A2G MBG 8.57143
44 2X65 M1P 8.92857
45 4TQK NAG 11.4851
46 2YQS UD1 16.0396
47 1JV1 UD1 16.2376
48 5HS2 CTP 17.2414
49 3OH3 UAD 26.1386
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