Receptor
PDB id Resolution Class Description Source Keywords
1DQN 1.75 Å EC: 2.4.2.8 CRYSTAL STRUCTURE OF GIARDIA GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH A TRANSITION S TATE ANALOGUE GIARDIA INTESTINALIS PROTEIN-INHIBITOR COMPLEX MG IONS PYROPHOSPHATE TRANSITION STATE ANALOGUE TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF GIARDIA LAMBLIA GUANINE PHOSPHORIBOSYLTRANSFERASE AT 1.75 A(,). BIOCHEMISTRY V. 39 6781 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IMU A:300;
B:301;
 Valid;
Valid;
 none;
none;
 Ki = 10 nM
361.248 C11 H16 N5 O7 P c1c(c...
IPA B:500;
 Invalid;
 none;
 submit data
60.095 C3 H8 O CC(C)...
MG A:450;
A:451;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
POP A:400;
B:401;
 Invalid;
Invalid;
 none;
none;
 submit data
175.959 H2 O7 P2 O[P@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DQN 1.75 Å EC: 2.4.2.8 CRYSTAL STRUCTURE OF GIARDIA GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH A TRANSITION S TATE ANALOGUE GIARDIA INTESTINALIS PROTEIN-INHIBITOR COMPLEX MG IONS PYROPHOSPHATE TRANSITION STATE ANALOGUE TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF GIARDIA LAMBLIA GUANINE PHOSPHORIBOSYLTRANSFERASE AT 1.75 A(,). BIOCHEMISTRY V. 39 6781 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1DQP - IMG C11 H15 N5 O4 c1c(c2c([n....
2 1DQN Ki = 10 nM IMU C11 H16 N5 O7 P c1c(c2c([n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1DQP - IMG C11 H15 N5 O4 c1c(c2c([n....
2 1DQN Ki = 10 nM IMU C11 H16 N5 O7 P c1c(c2c([n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1DQP - IMG C11 H15 N5 O4 c1c(c2c([n....
2 1DQN Ki = 10 nM IMU C11 H16 N5 O7 P c1c(c2c([n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: IMU; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 IMU 1 1
2 IMG 0.685714 0.857143
3 IRP 0.607595 0.956522
Similar Ligands (3D)
Ligand no: 1; Ligand: IMU; Similar ligands found: 116
No: Ligand Similarity coefficient
1 5GP 0.9908
2 G 0.9873
3 XMP 0.9860
4 EO7 0.9780
5 IMP 0.9747
6 DG 0.9717
7 AMP 0.9698
8 71V 0.9577
9 6OG 0.9542
10 LMS 0.9516
11 DGP 0.9501
12 45A 0.9475
13 8OP 0.9467
14 ABM 0.9466
15 G7M 0.9449
16 FMP 0.9440
17 6CG 0.9416
18 SRA 0.9397
19 AMP MG 0.9393
20 8GM 0.9381
21 D5M 0.9360
22 93A 0.9358
23 JLN 0.9358
24 8OG 0.9328
25 AOC 0.9300
26 MZP 0.9300
27 CNU 0.9278
28 ZAS 0.9278
29 6MZ 0.9260
30 KB7 0.9245
31 AS 0.9237
32 DA 0.9231
33 DI 0.9226
34 6MA 0.9211
35 C5P 0.9202
36 AMZ 0.9200
37 5BU 0.9189
38 5FU 0.9188
39 TMP 0.9179
40 RVP 0.9162
41 MTA 0.9144
42 C 0.9139
43 5HM 0.9134
44 6RE 0.9123
45 NMN 0.9114
46 PSU 0.9106
47 C2R 0.9091
48 5CM 0.9084
49 U5P 0.9083
50 A3N 0.9073
51 7D5 0.9069
52 J7C 0.9068
53 TKW 0.9055
54 N5O 0.9046
55 FNU 0.9031
56 UFP 0.9028
57 5HU 0.9017
58 NCN 0.9014
59 NYM 0.9014
60 NIA 0.9011
61 QBT 0.9008
62 9L3 0.9004
63 SSI 0.9000
64 NEC 0.8991
65 FDM 0.8982
66 BRU 0.8980
67 5IU 0.8953
68 BMP 0.8953
69 UMP 0.8944
70 NYZ 0.8942
71 GDP 0.8919
72 PFU 0.8917
73 BMQ 0.8915
74 UP6 0.8903
75 16B 0.8898
76 H2U 0.8877
77 3DH 0.8871
78 5AS 0.8870
79 MCF 0.8856
80 T3S 0.8853
81 D4M 0.8840
82 2DT 0.8840
83 NUP 0.8832
84 GMP 0.8830
85 SU1 0.8829
86 ADP 0.8829
87 KG4 0.8804
88 PRX 0.8800
89 NWQ 0.8790
90 EP4 0.8783
91 S5P 0.8783
92 CH 0.8775
93 AP2 0.8775
94 FN5 0.8764
95 DCM 0.8758
96 MTE 0.8755
97 CA0 0.8741
98 A3P 0.8741
99 M7G 0.8738
100 NWZ 0.8735
101 GNH 0.8730
102 U4S 0.8709
103 DUS 0.8702
104 ATM 0.8696
105 GJV 0.8695
106 U6M 0.8693
107 ADN 0.8679
108 AU1 0.8659
109 G5A 0.8646
110 DC 0.8616
111 DSH 0.8590
112 DOC 0.8579
113 4X2 0.8575
114 U2S 0.8568
115 GAP 0.8541
116 GDP MG 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DQN; Ligand: IMU; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1dqn.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4RHY 3QG 41.791
Pocket No.: 2; Query (leader) PDB : 1DQN; Ligand: IMU; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 1dqn.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 6AR9 3L4 32.6087
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