Receptor
PDB id Resolution Class Description Source Keywords
1YQC 1.71 Å EC: 3.5.3.19 CRYSTAL STRUCTURE OF UREIDOGLYCOLATE HYDROLASE (ALLA) FROM E COLI O157:H7 ESCHERICHIA COLI ALLA UREIDOGLYCOLATE HYDROLASE PURINE METABOLISM STRUCTUGENOMICS MONTREAL-KINGSTON BACTERIAL STRUCTURAL GENOMICS INITIATIVE BSGI
Ref.: CRYSTAL STRUCTURE OF UREIDOGLYCOLATE HYDROLASE (ALL ESCHERICHIA COLI O157:H7 PROTEINS V. 61 454 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLV A:1001;
Valid;
none;
submit data
74.035 C2 H2 O3 C(=O)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YQC 1.71 Å EC: 3.5.3.19 CRYSTAL STRUCTURE OF UREIDOGLYCOLATE HYDROLASE (ALLA) FROM E COLI O157:H7 ESCHERICHIA COLI ALLA UREIDOGLYCOLATE HYDROLASE PURINE METABOLISM STRUCTUGENOMICS MONTREAL-KINGSTON BACTERIAL STRUCTURAL GENOMICS INITIATIVE BSGI
Ref.: CRYSTAL STRUCTURE OF UREIDOGLYCOLATE HYDROLASE (ALL ESCHERICHIA COLI O157:H7 PROTEINS V. 61 454 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1YQC - GLV C2 H2 O3 C(=O)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 2 families.
1 1YQC - GLV C2 H2 O3 C(=O)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 2 families.
1 1YQC - GLV C2 H2 O3 C(=O)C(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLV; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLV 1 1
2 FUM 0.5 0.666667
3 MAE 0.5 0.666667
4 OXD 0.416667 0.75
5 CCU 0.411765 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YQC; Ligand: GLV; Similar sites found: 198
This union binding pocket(no: 1) in the query (biounit: 1yqc.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3DCJ THH 0.01138 0.42133 None
2 4CQK PIO 0.004407 0.41993 None
3 1UPT GTP 0.01239 0.40448 None
4 1ZPR CB3 0.01085 0.42836 1.17647
5 5NBW 8SK 0.01393 0.41359 1.17647
6 1FWM CB3 0.01863 0.40169 1.17647
7 5H2U 1N1 0.01875 0.41677 1.49813
8 1A8R GTP 0.003395 0.46117 1.76471
9 1EK0 GNP 0.04049 0.41892 1.76471
10 2AGD UDH 0.0229 0.4053 1.76471
11 2AGD NAG MAN BMA 0.02192 0.4053 1.76471
12 3VPC ADP 0.01585 0.40306 1.76471
13 4AGQ P96 0.02734 0.40064 1.76471
14 5EP2 AZU 0.00804 0.43269 2.35294
15 1F52 ADP 0.001846 0.43263 2.35294
16 5BO9 SIA GAL NGS 0.009813 0.429 2.35294
17 5NCY 8TK 0.006206 0.42636 2.35294
18 1JS3 PLP 142 0.03637 0.40746 2.35294
19 5IUB CLR 0.04309 0.40299 2.35294
20 4NZ4 NDG 0.005299 0.45393 2.94118
21 5JBX MLI 0.0005631 0.45023 2.94118
22 4X7R NTO 0.00809 0.44308 2.94118
23 4X7R UDP 0.004824 0.44308 2.94118
24 4X7R 3YW 0.004824 0.44308 2.94118
25 2ZL7 FUC GAL NGA 0.006415 0.43646 2.94118
26 4N9I PCG 0.01933 0.43386 2.94118
27 3ZQ6 ADP ALF 0.007855 0.42866 2.94118
28 3T7V SAM 0.007056 0.42599 2.94118
29 4ZRN NAD 0.02284 0.41522 2.94118
30 4OCV ANP 0.01034 0.40472 2.94118
31 4X8O AP5 0.02508 0.40135 2.94118
32 3IO3 ADP 0.04047 0.40047 2.94118
33 4INI AMP 0.001831 0.4626 3.07692
34 2WET FAD 0.006499 0.46204 3.52941
35 3VSV XYS 0.0005886 0.45205 3.52941
36 4IZC 1GZ 0.004336 0.44396 3.52941
37 4JGP PYR 0.002846 0.43581 3.52941
38 3FC4 EDO 0.02038 0.43415 3.52941
39 1ZPT FAD 0.0087 0.42896 3.52941
40 1GY8 UDP 0.009436 0.42428 3.52941
41 1VDC FAD 0.02447 0.42017 3.52941
42 4NU0 AP5 0.01399 0.41752 3.52941
43 3UYK 0CX 0.04216 0.41461 3.52941
44 3X01 AMP 0.00848 0.41375 3.52941
45 4TTS 6DD 0.02904 0.41257 3.52941
46 1GAR U89 0.03282 0.41252 3.52941
47 2CFI ZZZ 0.01658 0.40955 3.52941
48 2YW2 ATP 0.005489 0.40765 3.52941
49 3GYQ SAM 0.02922 0.4067 3.52941
50 5AVF TAU 0.00403 0.40604 3.52941
51 1MEX RAC 0.01801 0.40467 3.52941
52 5G41 AP5 0.01638 0.40388 3.52941
53 2B4G FMN 0.02668 0.40364 3.52941
54 4UWH JXM 0.007664 0.4012 3.52941
55 1B55 4IP 0.01771 0.40493 3.5503
56 4XBA 5GP 0.00115 0.47956 4.11765
57 1P7T ACO 0.00103 0.47657 4.11765
58 4XBA GMP 0.001381 0.4697 4.11765
59 3O7J 2AL 0.006623 0.44652 4.11765
60 2RCU BUJ 0.03798 0.42016 4.11765
61 1FP6 ADP 0.02844 0.40466 4.11765
62 1QF5 GDP 0.03085 0.40393 4.11765
63 1B66 BIO 0.02949 0.41043 4.28571
64 2Z3H BLO 0.01363 0.45669 4.61538
65 2Q4H AMP 0.003776 0.46036 4.70588
66 1S7G APR 0.004288 0.42706 4.70588
67 4ZS4 ATP 0.01916 0.41999 4.70588
68 5VYQ FON 0.01656 0.41779 4.70588
69 1UOZ GLC SSG SSG SGC 0.03407 0.40767 4.70588
70 2FHJ MFN 0.007435 0.40624 4.70588
71 3OTX AP5 0.02617 0.40548 4.70588
72 2ZWI C5P 0.02145 0.40306 4.70588
73 5MW8 ATP 0.008287 0.40255 4.70588
74 2BKK ADP 0.003781 0.42154 4.73373
75 1VC9 ATP 0.006724 0.41302 4.7619
76 2FR6 CTN 0.01162 0.40759 4.79452
77 2FR6 URI 0.0109 0.40751 4.79452
78 5ETR 5RW 0.005728 0.45109 4.96894
79 5ETR APC 0.005728 0.45109 4.96894
80 3N1S 5GP 0.001605 0.46369 5.04202
81 1TMM HHR 0.008037 0.42711 5.06329
82 1TMM APC 0.008437 0.42711 5.06329
83 5IQD GNP 0.0007716 0.51261 5.29412
84 5IQD RIO 0.0008066 0.51261 5.29412
85 1WUR 8DG 0.0002938 0.50394 5.29412
86 2EUG URA 0.002706 0.44787 5.29412
87 1IHU ADP 0.004012 0.4406 5.29412
88 1IHU AF3 0.003758 0.4406 5.29412
89 1KJ8 GAR 0.01037 0.44034 5.29412
90 1KJ8 ATP 0.009982 0.44034 5.29412
91 1OBD ATP 0.006076 0.4247 5.29412
92 4L80 1VU 0.01042 0.42226 5.29412
93 2CDN ADP 0.004848 0.41773 5.29412
94 2YAJ 4HP 0.003319 0.41277 5.29412
95 1GSA ADP 0.01912 0.41228 5.29412
96 3KLL MAL 0.03614 0.40245 5.29412
97 4WS6 WBU 0.002215 0.41519 5.46218
98 2Q37 3AL 0.009001 0.42499 5.52486
99 4IE6 UN9 0.02281 0.42457 5.65657
100 2A5F GTP 0.003859 0.44725 5.88235
101 4EN4 GT1 0.007091 0.42017 5.88235
102 4EN4 ATP 0.007091 0.42017 5.88235
103 4EN4 GT0 0.007091 0.42017 5.88235
104 5FI4 5XV 0.006282 0.42017 5.88235
105 3BFV ADP 0.006561 0.41969 5.88235
106 4MKF AP5 0.01095 0.4149 5.88235
107 2WTX VDO 0.03213 0.41254 5.88235
108 2WTX UDP 0.03103 0.41254 5.88235
109 4LZB URA 0.002817 0.4116 5.88235
110 4AFH L0B 0.01244 0.40998 5.88235
111 1Z0S ATP 0.02966 0.40792 5.88235
112 2QFY AKG 0.04005 0.40633 5.88235
113 3LOO B4P 0.03879 0.40595 5.88235
114 4I54 1C1 0.0192 0.40552 5.88235
115 4XJC TTP 0.0494 0.40361 5.88235
116 4CL6 7SB 0.01748 0.4034 5.88235
117 4E1O PLP PVH 0.02389 0.40324 5.88235
118 4YGM URA 0.003025 0.40109 5.88235
119 2BLN FON 0.006053 0.47004 6.47059
120 2BLN U5P 0.005779 0.47004 6.47059
121 4C0X AQN 0.01765 0.43018 6.47059
122 3V4S ATP 0.004357 0.42797 6.47059
123 3ORQ ADP 0.001739 0.42633 6.47059
124 5JAQ NAI 0.02015 0.42488 6.47059
125 3V4S ADP 0.009519 0.42193 6.47059
126 2RGX AP5 0.01592 0.41163 6.47059
127 1E7S NAP 0.0361 0.40769 6.47059
128 2X24 X24 0.01035 0.40334 6.47059
129 3JQ3 ADP 0.02448 0.40173 6.47059
130 4JAL SAH 0.02679 0.41524 6.58683
131 1N07 FMN 0.01338 0.42939 6.74847
132 4DO1 ANN 0.0003289 0.47353 7.05882
133 4R33 TRP 0.008359 0.4627 7.05882
134 4R33 SAH 0.008359 0.4627 7.05882
135 3ZDS M8O 0.00132 0.45019 7.05882
136 1PI5 SM2 0.02298 0.43956 7.05882
137 2PTZ PAH 0.003165 0.42935 7.05882
138 3W6G FLC 0.003939 0.41928 7.05882
139 4JWF SAH 0.009068 0.41602 7.05882
140 1OC2 TDX 0.03239 0.40439 7.05882
141 1OC2 NAD 0.03239 0.40439 7.05882
142 1YVD GNP 0.03661 0.41976 7.10059
143 3KO8 NAD 0.007934 0.43539 7.64706
144 1CBK ROI 0.006947 0.43043 7.64706
145 2YK7 CSF 0.009151 0.42942 7.64706
146 1ZMD NAI 0.00827 0.41845 7.64706
147 4ME6 ADP 0.005785 0.41712 7.64706
148 4YFY 1YJ 0.02155 0.41021 7.64706
149 1HFE CYS 0.01092 0.40851 7.64706
150 5H9I XAN 0.001076 0.40608 7.64706
151 5C5T AKG 0.02441 0.40432 7.64706
152 4AXD ANP 0.008378 0.4027 7.64706
153 1NJF AGS 0.04412 0.40097 7.64706
154 3DOE GTP 0.0479 0.4023 7.8125
155 1MZV AMP 0.003487 0.44207 8.23529
156 5VYR GMP 0.02355 0.42699 8.23529
157 5VYR B62 0.02355 0.42699 8.23529
158 4R29 SAM 0.02202 0.4126 8.23529
159 3KMW ATP 0.01464 0.41675 8.52713
160 5H5O PCG 0.02968 0.40703 8.52713
161 1RE8 BD2 0.02131 0.42803 8.82353
162 5C4L 4XR 0.002901 0.42255 8.82353
163 4J75 TYM 0.03907 0.41237 8.82353
164 1XCL SAH 0.01729 0.42907 9.41177
165 1GTE FMN 0.01092 0.42652 10
166 1GTE IUR 0.01092 0.42652 10
167 3FYP PEP 0.007325 0.4095 10
168 2XG5 EC5 0.01168 0.40454 10
169 2XG5 EC2 0.01168 0.40454 10
170 5G5G MCN 0.01794 0.40286 10
171 4L9Z COA 0.005633 0.41263 10.5882
172 4L9Z OXL 0.005377 0.41263 10.5882
173 2RIF AMP 0.01095 0.42625 10.6383
174 1ST0 GTG 0.009225 0.41282 10.6825
175 5UAO FAD 0.005902 0.45952 11.1765
176 5LRT ADP 0.007841 0.44451 11.1765
177 4B0T ADP 0.01008 0.42297 11.1765
178 5FA5 MTA 0.01257 0.40764 11.1765
179 3NK7 SAM 0.02087 0.42049 11.7647
180 3T1A 5MA 0.03305 0.40391 11.7647
181 1Z0J GTP 0.0398 0.41748 11.8644
182 3BL7 DD1 0.002366 0.41137 11.9601
183 5I2E 67D 0.001638 0.49457 12.4031
184 1AV5 AP2 0.0008774 0.47453 12.6984
185 1PN4 HDC 0.006655 0.45377 12.9412
186 1EZ0 NAP 0.0394 0.40231 12.9412
187 1ZEI CRS 0.02616 0.40219 13.2075
188 5FLJ QUE 0.005943 0.4052 13.5294
189 5A3T MMK 0.01348 0.40379 13.5294
190 3CQ5 PMP 0.02959 0.41409 14.1176
191 1SG4 CO8 0.01976 0.40007 14.1176
192 4S3R 7SA 0.009063 0.42519 15.2941
193 4WZ8 3W7 0.03108 0.40233 15.8824
194 4LCN GNG 0.009072 0.40864 18.2353
195 1OS7 TAU 0.01125 0.43651 20.5882
196 1OS7 AKG 0.01125 0.43651 20.5882
197 5DV2 C5P 0.01106 0.41737 28.8235
198 4B0H DUR 0.01118 0.46845 30.5556
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