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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 with APoc: 222
This union binding pocket(no: 1) in the query (biounit: 1dqn.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1TMM HHR None
2 1UPF URF 0.892857
3 5ZZ6 NAD 0.961538
4 1DL5 SAH 1.30435
5 2AHR NAP 1.30435
6 1Q0S SAH 1.73913
7 3GDH SAH 1.73913
8 4ZRN NAD 1.73913
9 5TUF FAD 1.73913
10 1G60 SAM 1.73913
11 3TAY MN0 1.84049
12 5L4L NAP 2.17391
13 2DPM SAM 2.17391
14 5L4L 7OX 2.17391
15 5O96 SAM 2.17391
16 4CPA GLY 2.17391
17 1EQ2 NAP 2.17391
18 5UBG PRT 2.21239
19 1XTT U5P 2.31481
20 2BES RES 2.32558
21 2CJF RP4 2.54777
22 1P4A PCP 2.6087
23 3RJ5 NAD 2.6087
24 3UYK 0CX 2.6087
25 4E5N NAD 2.6087
26 4UCI SAM 2.6087
27 1CDO NAD 2.6087
28 2OGA PGU 2.6087
29 3HVJ 705 2.71493
30 6FCH PRP 2.80899
31 1SLT NDG GAL 2.98507
32 4JSR 1NQ 3.04348
33 1I9G SAM 3.04348
34 5KVA SAM 3.04348
35 1FK8 NAD 3.04348
36 3LXD FAD 3.04348
37 1KEV NDP 3.04348
38 1GS5 NLG 3.04348
39 1GS5 ANP 3.04348
40 3OH3 UAD 3.04348
41 3HQP FDP 3.04348
42 6ESN BWE 3.04348
43 1U7Z PMT 3.09735
44 1E96 GTP 3.125
45 1U3G THF 3.1746
46 3SBD GNP 3.20856
47 1WY7 SAH 3.38164
48 1T57 FMN 3.39806
49 1QAN SAH 3.47826
50 4D9C PMP 3.47826
51 5MW4 5JU 3.47826
52 4PPF FLC 3.47826
53 4RQU NAD 3.47826
54 2ZB4 5OP 3.47826
55 2ZB4 NAP 3.47826
56 4CQM NAP 3.47826
57 2G5C NAD 3.47826
58 5WS9 AMP 3.47826
59 4H2D FMN 3.63636
60 5D85 P1T 3.91304
61 5UPK GNP 3.91304
62 1V7C HEY 3.91304
63 3B8X G4M 3.91304
64 3WCS MAN NAG GAL 3.91304
65 3C3Y SAH 3.91304
66 3NRR D16 3.91304
67 4D3F NAP 3.91304
68 3NRR UMP 3.91304
69 3V91 UPG 3.91304
70 2X2T GAL NGA 3.92157
71 1NU4 MLA 4.12371
72 4HDQ GNP 4.19162
73 3W8X FAD 4.34783
74 3W8X FTK 4.34783
75 2PWY SAH 4.34783
76 6C2Z P1T 4.34783
77 4B4D FAD 4.34783
78 1BKJ FMN 4.34783
79 2HNK SAH 4.34783
80 5K2M ADP 4.34783
81 4ZAH T5K 4.34783
82 2AK5 ARG PRO PRO LYS PRO ARG PRO ARG 4.6875
83 1JG3 ADN 4.78261
84 4ZOH FAD 4.78261
85 3PT9 SAH 4.78261
86 2G86 UMP 4.78261
87 1YKF NAP 4.78261
88 4UWH JXM 4.78261
89 3P7G MAN 4.79452
90 1R18 SAH 4.84582
91 2Q1W NAD 5.1051
92 3FXU TSU 5.21739
93 6FDF SAH 5.21739
94 1QHO MAL 5.21739
95 1G55 SAH 5.21739
96 1NW5 SAM 5.21739
97 3MJY IJZ 5.21739
98 3MJY FMN 5.21739
99 1RDL MMA 5.30973
100 1XCL SAH 5.65217
101 4Z24 FAD 5.65217
102 3VC1 GST 5.65217
103 2IHK CSF 5.65217
104 3VYW SAM 5.65217
105 3VC1 SAH 5.65217
106 4GOX A3P 5.65217
107 3X44 PUS 5.65217
108 1DJN ADP 5.65217
109 1D6S PLP MET 6.08696
110 3VC3 C6P 6.08696
111 1D6S MET PLP 6.08696
112 1T36 U 6.08696
113 4EIL UMP 6.08696
114 4GLL NAD 6.08696
115 4B2D FBP 6.08696
116 6A56 LAT 6.09756
117 1ZC3 GNP 6.19469
118 5VJN ADE 6.41711
119 5VJN IR8 6.41711
120 4K81 GTP 6.43275
121 3MBI HSX 6.52174
122 3WCZ NAP 6.52174
123 4OYA 1VE 6.52174
124 5EB4 FAD 6.52174
125 1H9A NAP 6.52174
126 4M37 SAH 6.52174
127 1P0F NAP 6.52174
128 2GJP MAL 6.52174
129 4LFL TG6 6.79012
130 6FA4 GNP 6.93642
131 1O5O U5P 6.95652
132 3S1S SAH 6.95652
133 3MB5 SAM 6.95652
134 1V97 FAD 6.95652
135 3GDN HBX 6.95652
136 3GDN FAD 6.95652
137 3SHR CMP 6.95652
138 2PK3 A2R 6.95652
139 1P1C SAH 7.03518
140 5XH2 NPO 7.3913
141 5THY SAH 7.90123
142 1I1N SAH 7.9646
143 2Q4W FAD 8.26087
144 6CI9 NAP 8.26087
145 2J4D FAD 8.26087
146 5G5G FAD 8.29694
147 6D5V GNP 8.38323
148 3NRZ FAD 8.53659
149 1FIQ FAD 8.6758
150 5AE2 FYC 8.69565
151 5AE2 FAD 8.69565
152 1N2X SAM 8.69565
153 4JBI NDP 8.69565
154 3JQG NAP 8.69565
155 3LU1 NAD 8.69565
156 5OCM NAP 8.69565
157 2WD7 NAP 8.69565
158 3JQF NAP 8.69565
159 1YQC GLV 8.82353
160 5A89 FMN 8.97436
161 5A89 ADP 8.97436
162 2CXG GLC GLC 9.13043
163 2HK9 NAP 9.13043
164 3AY6 NAI 9.13043
165 3LN9 FLC 9.35252
166 4XOI GTP 9.44444
167 2DT5 NAD 9.47867
168 6GAS FAD 9.56522
169 1WG8 SAM 9.56522
170 5FLJ QUE 9.67742
171 5BV6 35G 9.86842
172 5Y6Q FAD 10
173 2B5W NAP 10
174 5NM7 GLY 10.4348
175 1IZC PYR 10.4348
176 3CF6 SP1 10.4348
177 2PS1 PRP 10.6195
178 2PS1 ORO 10.6195
179 1FFU FAD 10.8696
180 5ERG SAM 10.8696
181 5O2T GSP 11.2426
182 1J0D 5PA 11.3043
183 2DFV NAD 11.3043
184 4POO SAM 11.5
185 4K6B GLU 11.8012
186 1L1Q 9DA 11.828
187 2FXV 5GP 11.8557
188 3ZEI AWH 11.9355
189 1N62 FAD 12.1739
190 3HRD FAD 12.6087
191 1RM6 FAD 12.6087
192 5ULP KB1 12.6087
193 1LH0 ORO 12.6761
194 1LH0 PRP 12.6761
195 4YSW NAI 13.0435
196 4YSW FAD 13.0435
197 3PC3 P1T 13.913
198 4P86 5GP 14.2077
199 1T3Q FAD 14.881
200 3OU2 SAH 15.1376
201 3BMN NAP 16.087
202 3BMQ NAP 16.087
203 3BMO NAP 16.087
204 4CLR NAP 16.087
205 4CM4 NAP 16.087
206 4CM8 NAP 16.087
207 4CMI NAP 16.087
208 4CM9 NAP 16.087
209 3JQ8 NAP 16.087
210 3JQB NAP 16.087
211 1J49 NAD 16.9565
212 1WVC CTP 17.3913
213 5WRE 7TL 17.4194
214 4P83 U5P 18.1319
215 2YVJ FAD 20.1835
216 1QB7 ADE 21.3043
217 1MZV AMP 21.7391
218 1N07 FMN 26.3804
219 1N07 ADP 26.3804
220 4JLS 3ZE 27.6316
221 6AR9 3L4 32.6087
222 4RHY 3QG 41.791
Pocket No.: 2; Query (leader) PDB : 1DQN; Ligand: IMU; Similar sites found with APoc: 54
This union binding pocket(no: 2) in the query (biounit: 1dqn.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1TMM APC None
2 6BYF CIT None
3 1XG5 NAP 2.17391
4 2V92 AMP 2.6087
5 2V92 ATP 2.6087
6 2Y8L ADP 2.6087
7 2Y8L AMP 2.6087
8 4QYS PLP SEP 2.6087
9 4KCT FDP 3.04348
10 1E3W NAD 3.04348
11 3B2Q ATP 3.04348
12 1E6W NAD 3.04348
13 5ETR APC 3.10559
14 5ETR 5RW 3.10559
15 4KWI NAP 3.47826
16 3OJF NDP 3.47826
17 1P7T ACO 3.47826
18 1OIV GDP 3.66492
19 6AM8 PLT 3.91304
20 1U7T NAD 3.91304
21 4URF NAD 3.91304
22 6CUZ FEV 3.91304
23 3TLJ SAH 3.91304
24 6AMI TRP 3.91304
25 4HDO GNP 4.19162
26 3X1Z GNP 4.19162
27 2V3V MGD 4.34783
28 5THQ NDP 4.34783
29 2FNU PMP UD1 4.34783
30 3U4C NDP 4.34783
31 1IY8 NAD 4.34783
32 2B4Q NAP 4.34783
33 1YBH FAD 4.78261
34 1TLL FMN 4.78261
35 3QWI CUE 5.21739
36 3QWI NAP 5.21739
37 2Y4O DLL 5.21739
38 3TKA SAM 5.65217
39 3CMJ SRT 6.08696
40 1JV1 UD1 6.52174
41 3NC9 TR3 6.52174
42 6D6Y SAH 6.95652
43 5GVR LMR 7.82609
44 2B7D C1B 8.55263
45 3KO8 NAD 8.69565
46 1FO3 KIF 9.13043
47 4YNU FAD 9.13043
48 3KH5 AMP 10
49 5U19 SAH 10.4348
50 5U19 827 10.4348
51 5MPT SAH 10.4348
52 2NYA MGD 11.7391
53 5T2U NAP 12.6087
54 3DR4 G4M 13.913
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