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
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 Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DQN; Ligand: IMU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1dqn.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1DQN; Ligand: IMU; Similar sites found: 114
This union binding pocket(no: 2) in the query (biounit: 1dqn.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TMM HHR 0.01276 0.42343 None
2 1UPF URF 0.0001923 0.40985 0.892857
3 1DL5 SAH 0.01121 0.42497 1.30435
4 1Q0S SAH 0.008951 0.42706 1.73913
5 1G60 SAM 0.0147 0.40969 1.73913
6 2DPM SAM 0.008176 0.42588 2.17391
7 5L4L NAP 0.01791 0.41171 2.17391
8 5L4L 7OX 0.04095 0.40678 2.17391
9 4YEF 4CQ 0.02343 0.41342 2.24719
10 1XTT U5P 0.00003756 0.46898 2.31481
11 1P4A PCP 0.0001388 0.43952 2.6087
12 2Y8L AMP 0.03088 0.42186 2.6087
13 2Y8L ADP 0.03384 0.42186 2.6087
14 3RJ5 NAD 0.0268 0.41762 2.6087
15 4E5N NAD 0.03214 0.4062 2.6087
16 4UCI SAM 0.0215 0.40142 2.6087
17 3HVJ 705 0.01226 0.43478 2.71493
18 1ZN7 PRP 0.00001864 0.55124 2.77778
19 1ZN7 ADE 0.00001038 0.54848 2.77778
20 1ZN7 HSX 0.00001038 0.53006 2.77778
21 1I9G SAM 0.005013 0.43484 3.04348
22 5KVA SAM 0.007733 0.4271 3.04348
23 1FK8 NAD 0.01554 0.41629 3.04348
24 3HQP FDP 0.009336 0.40701 3.04348
25 4KCT FDP 0.01155 0.40492 3.04348
26 3B2Q ATP 0.02339 0.40431 3.04348
27 3LXD FAD 0.04527 0.40251 3.04348
28 3RI1 3RH 0.02993 0.40165 3.04348
29 1WY7 SAH 0.001284 0.46631 3.38164
30 1T57 FMN 0.01316 0.41545 3.39806
31 1QAN SAH 0.004092 0.44101 3.47826
32 4PPF FLC 0.01091 0.42179 3.47826
33 5MW4 5JU 0.04441 0.40756 3.47826
34 2ZB4 5OP 0.04373 0.40616 3.47826
35 2ZB4 NAP 0.04204 0.40616 3.47826
36 1P7T ACO 0.02449 0.40329 3.47826
37 4CQM NAP 0.03921 0.40164 3.47826
38 1OIV GDP 0.02343 0.40573 3.66492
39 1V7C HEY 0.008442 0.43268 3.91304
40 3C3Y SAH 0.006159 0.42856 3.91304
41 1U7T NAD 0.01741 0.41646 3.91304
42 3B8X G4M 0.02461 0.41562 3.91304
43 3WCS MAN NAG GAL 0.007198 0.41244 3.91304
44 4HDO GNP 0.02375 0.40683 4.19162
45 2V3V MGD 0.02364 0.44167 4.34783
46 3W8X FAD 0.01666 0.43411 4.34783
47 2PWY SAH 0.006868 0.43133 4.34783
48 5THQ NDP 0.02113 0.41459 4.34783
49 2FNU PMP UD1 0.0393 0.40678 4.34783
50 2HNK SAH 0.01989 0.40478 4.34783
51 3U4C NDP 0.03483 0.40204 4.34783
52 1IY8 NAD 0.03871 0.40194 4.34783
53 3PT9 SAH 0.01184 0.41259 4.78261
54 3P7G MAN 0.00758 0.41219 4.79452
55 1R18 SAH 0.003243 0.44609 4.84582
56 2Q1W NAD 0.03618 0.40567 5.1051
57 1NW5 SAM 0.01525 0.40889 5.21739
58 3QWI NAP 0.03151 0.40778 5.21739
59 3QWI CUE 0.04562 0.40778 5.21739
60 2Y4O DLL 0.02097 0.40673 5.21739
61 1XCL SAH 0.003101 0.46049 5.65217
62 3TKA SAM 0.02354 0.40108 5.65217
63 3VC3 C6P 0.005483 0.43941 6.08696
64 1D6S MET PLP 0.005017 0.43823 6.08696
65 1D6S PLP MET 0.004917 0.437 6.08696
66 1T36 U 0.009124 0.41821 6.08696
67 4GLL NAD 0.02279 0.4152 6.08696
68 4B2D FBP 0.01745 0.40042 6.08696
69 1ZC3 GNP 0.02895 0.40239 6.19469
70 4K81 GTP 0.02541 0.40531 6.43275
71 3MBI HSX 0.00001263 0.54079 6.52174
72 4OYA 1VE 0.02733 0.43296 6.52174
73 5EB4 FAD 0.02655 0.41968 6.52174
74 3NC9 TR3 0.04412 0.40595 6.52174
75 1O5O U5P 0.00001582 0.54307 6.95652
76 3MB5 SAM 0.0006944 0.48158 6.95652
77 3S1S SAH 0.001087 0.47176 6.95652
78 1V97 FAD 0.02613 0.43217 6.95652
79 1P1C SAH 0.009195 0.42492 7.03518
80 5GVR LMR 0.005842 0.40582 7.82609
81 1I1N SAH 0.004449 0.44699 7.9646
82 2Q4W FAD 0.02501 0.41524 8.26087
83 2J4D FAD 0.02585 0.40756 8.26087
84 5G5G FAD 0.01573 0.43283 8.29694
85 1FIQ FAD 0.01422 0.4282 8.6758
86 1N2X SAM 0.01303 0.41724 8.69565
87 3KO8 NAD 0.04036 0.40208 8.69565
88 4YNU FAD 0.04823 0.40888 9.13043
89 3LN9 FLC 0.00008451 0.40199 9.35252
90 1WG8 SAM 0.009544 0.42564 9.56522
91 5BV6 35G 0.02009 0.40115 9.86842
92 2PS1 PRP 0.000574 0.47983 10.6195
93 2PS1 ORO 0.0004383 0.46764 10.6195
94 1FFU FAD 0.01303 0.43235 10.8696
95 1J0D 5PA 0.004373 0.44592 11.3043
96 4POO SAM 0.009471 0.42581 11.5
97 4K6B GLU 0.0127 0.40262 11.8012
98 1L1Q 9DA 0.0000419 0.53632 11.828
99 2FXV 5GP 0.0002017 0.50867 11.8557
100 3ZEI AWH 0.01025 0.42967 11.9355
101 1N62 FAD 0.01286 0.43468 12.1739
102 3HRD FAD 0.04115 0.41023 12.6087
103 1LH0 ORO 0.00004803 0.52567 12.6761
104 1LH0 PRP 0.0002877 0.51423 12.6761
105 3PC3 P1T 0.01298 0.41411 13.913
106 1T3Q FAD 0.03313 0.41173 14.881
107 5WRE 7TL 0.02449 0.40022 17.4194
108 4P83 U5P 0.000006324 0.54005 18.1319
109 1QB7 ADE 0.00003137 0.52549 21.3043
110 1ECC PCP 0.00002804 0.55187 21.7391
111 1MZV AMP 0.00001038 0.54847 21.7391
112 1N07 ADP 0.01568 0.40652 26.3804
113 4JLS 3ZE 0.00001541 0.51247 27.6316
114 4RHY 3QG 0.0000001786 0.52917 41.791
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