Receptor
PDB id Resolution Class Description Source Keywords
4GIM 1.8 Å EC: 3.2.-.- CRYSTAL STRUCTURE OF PSEUDOURIDINE MONOPHOSPHATE GLYCOSIDASE WITH PSEUDOURIDINE 5'-PHOSPHATE ESCHERICHIA COLI ALPHA-BETA-ALPHA SANDWICH FOLD HYDROLASE
Ref.: PSEUDOURIDINE MONOPHOSPHATE GLYCOSIDASE: A NEW GLYC MECHANISM. BIOCHEMISTRY V. 51 9245 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:401;
B:401;
C:401;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
54.938 Mn [Mn+2...
PSU A:400;
B:400;
C:400;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
324.181 C9 H13 N2 O9 P C1=C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GIM 1.8 Å EC: 3.2.-.- CRYSTAL STRUCTURE OF PSEUDOURIDINE MONOPHOSPHATE GLYCOSIDASE WITH PSEUDOURIDINE 5'-PHOSPHATE ESCHERICHIA COLI ALPHA-BETA-ALPHA SANDWICH FOLD HYDROLASE
Ref.: PSEUDOURIDINE MONOPHOSPHATE GLYCOSIDASE: A NEW GLYC MECHANISM. BIOCHEMISTRY V. 51 9245 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4GIM - PSU C9 H13 N2 O9 P C1=C(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 1 families.
1 4GIM - PSU C9 H13 N2 O9 P C1=C(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 1 families.
1 4GIM - PSU C9 H13 N2 O9 P C1=C(C(=O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PSU; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PSU 1 1
2 AHG 0.410714 0.619048
Similar Ligands (3D)
Ligand no: 1; Ligand: PSU; Similar ligands found: 97
No: Ligand Similarity coefficient
1 U5P 0.9973
2 UP6 0.9878
3 CH 0.9847
4 C 0.9811
5 U 0.9805
6 C5P 0.9797
7 DC 0.9728
8 BMP 0.9699
9 BMQ 0.9693
10 UMP 0.9649
11 S5P 0.9631
12 FN5 0.9624
13 H2U 0.9606
14 NUP 0.9585
15 U6M 0.9572
16 AMP 0.9555
17 16B 0.9549
18 DU 0.9530
19 TMP 0.9510
20 5FU 0.9480
21 UFP 0.9474
22 TKW 0.9458
23 5BU 0.9454
24 DCM 0.9442
25 FNU 0.9437
26 DOC 0.9425
27 U4S 0.9424
28 C2R 0.9411
29 QBT 0.9393
30 6CN 0.9388
31 UMC 0.9380
32 DUS 0.9377
33 9L3 0.9376
34 PFU 0.9349
35 IRP 0.9330
36 CAR 0.9319
37 5IU 0.9307
38 NYM 0.9273
39 AIR 0.9271
40 NIA 0.9267
41 BRU 0.9264
42 U1S 0.9259
43 8BR 0.9241
44 DDN 0.9234
45 IMP 0.9214
46 ICR 0.9202
47 MZP 0.9194
48 AMZ 0.9191
49 GAR 0.9187
50 6AU 0.9185
51 U3S 0.9179
52 U2S 0.9161
53 OMP 0.9150
54 5CM 0.9137
55 JW5 0.9137
56 FDM 0.9132
57 D4M 0.9119
58 IMU 0.9106
59 IRN 0.9076
60 CNU 0.9073
61 FMP 0.9065
62 2DT 0.9056
63 D5M 0.9033
64 DA 0.9033
65 T3S 0.9033
66 8OP 0.9022
67 45A 0.9006
68 ABM 0.9003
69 5HM 0.8989
70 NMN 0.8984
71 6MZ 0.8971
72 6MA 0.8970
73 5HU 0.8957
74 J7C 0.8934
75 6RE 0.8931
76 SRA 0.8915
77 G 0.8885
78 FGR 0.8884
79 2OM 0.8880
80 XMP 0.8873
81 5GP 0.8871
82 DGP 0.8839
83 RVP 0.8834
84 UDP 0.8815
85 Z8B 0.8791
86 VIB 0.8772
87 NCN 0.8769
88 NEC 0.8765
89 MTH 0.8762
90 N5O 0.8758
91 FAI 0.8731
92 71V 0.8716
93 O8M 0.8709
94 AS 0.8706
95 JLN 0.8693
96 2GE 0.8689
97 MTA 0.8570
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4GIM; Ligand: PSU; 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: 4gim.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4GIM; Ligand: PSU; 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: 4gim.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4GIM; Ligand: PSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4gim.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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