Receptor
PDB id Resolution Class Description Source Keywords
1DQP 1.75 Å EC: 2.4.2.8 CRYSTAL STRUCTURE OF GIARDIA GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH IMMUCILLING GIARDIA INTESTINALIS PROTEIN-INHIBITOR COMPLEX IMMUCILLING 9-DEAZAGUANINE 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
IMG A:300;
B:301;
Valid;
Valid;
none;
none;
submit data
281.268 C11 H15 N5 O4 c1c(c...
IPA A:499;
B:500;
Invalid;
Invalid;
none;
none;
submit data
60.095 C3 H8 O CC(C)...
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: IMG; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 IMG 1 1
2 IMU 0.685714 0.857143
3 UA2 0.4 0.793651
Similar Ligands (3D)
Ligand no: 1; Ligand: IMG; Similar ligands found: 132
No: Ligand Similarity coefficient
1 GMP 0.9977
2 IMH 0.9826
3 ADN 0.9808
4 9DI 0.9795
5 NOS 0.9779
6 CL9 0.9737
7 GNG 0.9736
8 4UO 0.9701
9 FMC 0.9681
10 MG7 0.9672
11 TBN 0.9638
12 A 0.9605
13 MDR 0.9583
14 FMB 0.9563
15 MTA 0.9559
16 5N5 0.9551
17 5AD 0.9531
18 3BH 0.9521
19 2FA 0.9510
20 1DA 0.9509
21 5ID 0.9504
22 5FD 0.9492
23 3D1 0.9485
24 MTM 0.9463
25 NWW 0.9440
26 SNI 0.9433
27 CDY 0.9418
28 Y3J 0.9413
29 5F1 0.9411
30 A4D 0.9407
31 AFX 0.9377
32 MTP 0.9369
33 5CD 0.9360
34 THM 0.9358
35 PRH 0.9356
36 8OX 0.9348
37 6MD 0.9348
38 MTH 0.9341
39 5BT 0.9330
40 8HG 0.9315
41 5UD 0.9310
42 HPR 0.9283
43 FTU 0.9278
44 3AD 0.9274
45 6CR 0.9273
46 5I5 0.9269
47 FM1 0.9257
48 DCF 0.9251
49 CFE 0.9250
50 RAB 0.9238
51 EKH 0.9230
52 NOC 0.9223
53 7D7 0.9221
54 TAL 0.9220
55 PUR 0.9213
56 0DN 0.9207
57 FM2 0.9187
58 DBM 0.9182
59 5NB 0.9172
60 MCY 0.9152
61 2FD 0.9152
62 ARJ 0.9148
63 Z8B 0.9138
64 7CI 0.9119
65 IM5 0.9114
66 13A 0.9112
67 ID2 0.9096
68 XYA 0.9096
69 XTS 0.9081
70 MTI 0.9078
71 5MD 0.9055
72 NEO 0.9046
73 B86 0.9045
74 GA2 0.9023
75 SGP 0.9020
76 3L1 0.9003
77 3DT 0.8997
78 URI 0.8995
79 CC5 0.8989
80 26A 0.8983
81 RPP 0.8981
82 HO4 0.8978
83 KF5 0.8919
84 TO1 0.8913
85 LLT 0.8908
86 PE2 0.8903
87 SA0 0.8900
88 SGV 0.8897
89 H4B 0.8880
90 2TU 0.8865
91 DUR 0.8854
92 9UL 0.8843
93 38B 0.8840
94 AC2 0.8838
95 TR7 0.8832
96 5F7 0.8826
97 AOJ 0.8818
98 CTE 0.8816
99 ZJB 0.8813
100 XYP AHR 0.8812
101 NEU 0.8797
102 ACE TRP 0.8786
103 DIH 0.8784
104 DCZ 0.8784
105 BVD 0.8752
106 TRP 0.8747
107 NWD 0.8743
108 X2M 0.8721
109 CPW 0.8690
110 MPU 0.8682
111 NQ7 0.8682
112 THU 0.8674
113 X29 0.8671
114 BC3 0.8669
115 3Y7 0.8662
116 RE4 0.8662
117 PVK 0.8657
118 DBQ 0.8644
119 96Z 0.8641
120 88R 0.8640
121 145 0.8637
122 ID8 0.8636
123 6J3 0.8629
124 8OG 0.8616
125 4P8 0.8603
126 LTN 0.8593
127 ZIQ 0.8588
128 B1T 0.8577
129 0GA 0.8542
130 Z16 0.8533
131 2UD 0.8529
132 NIY 0.8527
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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