Receptor
PDB id Resolution Class Description Source Keywords
1TE2 1.76 Å EC: 3.1.3.18 PUTATIVE PHOSPHATASE YNIC FROM ESCHERICHIA COLI K12 ESCHERICHIA COLI STRUCTURAL GENOMICS PHOSPHATASE PHOSPHATES PSI PROTEIN SINITIATIVE MIDWEST CENTER FOR STRUCTURAL GENOMICS MCSG H
Ref.: CRYSTAL STRUCTURE OF PUTATIVE PHOSPHATASE YNIC FROM ESCHERICHIA COLI K12 TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:702;
B:701;
B:703;
B:704;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
PGA A:711;
B:712;
Valid;
Valid;
none;
none;
submit data
156.031 C2 H5 O6 P C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TE2 1.76 Å EC: 3.1.3.18 PUTATIVE PHOSPHATASE YNIC FROM ESCHERICHIA COLI K12 ESCHERICHIA COLI STRUCTURAL GENOMICS PHOSPHATASE PHOSPHATES PSI PROTEIN SINITIATIVE MIDWEST CENTER FOR STRUCTURAL GENOMICS MCSG H
Ref.: CRYSTAL STRUCTURE OF PUTATIVE PHOSPHATASE YNIC FROM ESCHERICHIA COLI K12 TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1TE2 - PGA C2 H5 O6 P C(C(=O)O)O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1TE2 - PGA C2 H5 O6 P C(C(=O)O)O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1TE2 - PGA C2 H5 O6 P C(C(=O)O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PGA; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 PGA 1 1
2 HPV 0.555556 0.903226
3 13P 0.5 0.818182
4 PGH 0.482759 0.651163
5 3PG 0.433333 0.90625
6 3PP 0.423077 0.866667
7 EFS 0.416667 0.741935
8 PAE 0.416667 0.806452
9 SEP 0.40625 0.710526
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TE2; Ligand: PGA; Similar sites found: 224
This union binding pocket(no: 1) in the query (biounit: 1te2.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UQX MMA 0.001412 0.4453 None
2 3OCZ SRA 0.000009198 0.44225 None
3 4D79 ATP 0.007368 0.43056 None
4 1RLJ FMN 0.01115 0.41751 None
5 4BLW AMP 0.0289 0.41563 None
6 4BLW SAH 0.01955 0.41563 None
7 1V35 NAI 0.03688 0.41312 None
8 1YZQ GNP 0.02725 0.40938 None
9 4RDI ATP 0.01875 0.40694 None
10 1I0S FMN 0.02754 0.4055 None
11 2UZ2 BTN 0.02602 0.40025 None
12 3WLE NAD 0.02736 0.41957 0.884956
13 1RP0 AHZ 0.04192 0.40678 1.32743
14 1L7N ALF 0.00002105 0.49726 1.4218
15 1L7N AF3 0.0002381 0.43571 1.4218
16 1L7P SEP 0.001046 0.42114 1.4218
17 1USF FMN 0.04791 0.40046 1.68539
18 4R74 F6P 0.005054 0.44509 1.76991
19 4ZKD GDP 0.005919 0.44345 1.76991
20 3TWO NDP 0.01834 0.42848 1.76991
21 5A3B APR 0.02242 0.41395 1.76991
22 1WOQ BGC 0.01016 0.41389 1.76991
23 3U4C NDP 0.02908 0.41259 1.76991
24 4D3F NAP 0.02195 0.41195 1.76991
25 2PT9 2MH 0.03926 0.40627 1.76991
26 5ITV NAI 0.04746 0.40372 1.76991
27 3F6R FMN 0.006464 0.43042 2.02703
28 4ZEV M6P 0.0005868 0.4781 2.21239
29 3VC1 SAH 0.03859 0.41603 2.21239
30 4B2D FBP 0.01085 0.41366 2.21239
31 4B9Q ATP 0.01789 0.41253 2.21239
32 2X6T NAP 0.02954 0.41019 2.21239
33 3A4T SFG 0.02941 0.40528 2.21239
34 3BGD SAH 0.02948 0.40455 2.21239
35 3BGD PM6 0.03675 0.40455 2.21239
36 1IBR GNP 0.03515 0.40271 2.21239
37 2FR1 NDP 0.0483 0.4024 2.21239
38 2G5C NAD 0.03978 0.40064 2.21239
39 4ZSI GLP 0.01595 0.41253 2.33918
40 4JWH SAH 0.007299 0.44298 2.65487
41 1NJR XYL 0.01066 0.434 2.65487
42 4JWJ SAH 0.009689 0.43355 2.65487
43 5KMS FAD 0.03411 0.41734 2.65487
44 1PR9 NAP 0.03091 0.41579 2.65487
45 3D3W NAP 0.04097 0.40818 2.65487
46 1FL2 FAD 0.04344 0.40766 2.65487
47 4PIV NDP 0.04404 0.40272 2.65487
48 5E9H MLI 0.01071 0.40228 2.65487
49 1MUU NAD 0.043 0.40059 2.65487
50 1PL6 NAD 0.0342 0.40027 2.65487
51 3IID APR 0.02416 0.41245 2.8436
52 3EF0 ALF 0.0000007155 0.58565 3.09735
53 2CDC XYP 0.02083 0.44476 3.09735
54 2CDC NAP 0.02254 0.44233 3.09735
55 2CDC XYS 0.02254 0.44233 3.09735
56 1RHC F42 ACN 0.01166 0.43385 3.09735
57 1U3U NAD 0.03879 0.41915 3.09735
58 1U3U BNF 0.03879 0.41915 3.09735
59 3DNT ATP 0.02104 0.41331 3.09735
60 2VHW NAI 0.03297 0.41024 3.09735
61 1X87 NAD 0.02945 0.40647 3.09735
62 2AG8 NAP 0.0263 0.40462 3.09735
63 2Q46 NAP 0.0392 0.40347 3.09735
64 2Q16 ITT 0.03385 0.40306 3.19635
65 2C5L GTP 0.03703 0.40165 3.4188
66 2RBK VN4 0.00001414 0.52228 3.53982
67 2PQB GG9 0.02028 0.41306 3.53982
68 1IY8 NAD 0.03422 0.40889 3.53982
69 2CXS F6P 0.02155 0.40883 3.53982
70 2DFV NAD 0.04117 0.40304 3.53982
71 1YVD GNP 0.03119 0.40485 3.5503
72 1E5Q NDP 0.009734 0.43771 3.9823
73 1R37 NAD 0.02289 0.42271 3.9823
74 4Z24 FAD 0.03962 0.41425 3.9823
75 2JL1 NAP 0.0233 0.40613 3.9823
76 1QPR PPC 0.02281 0.40571 3.9823
77 2BD0 NAP 0.04344 0.40163 3.9823
78 4JE7 BB2 0.006275 0.43428 4.06091
79 3VHH VHH 0.03934 0.42612 4.06504
80 4CM8 NAP 0.04402 0.40131 4.16667
81 4CM9 NAP 0.04583 0.4013 4.16667
82 4CME NAP 0.04484 0.4013 4.16667
83 2FWP ICR 0.01192 0.40661 4.37158
84 1UWK NAD 0.01482 0.44553 4.42478
85 1UWK URO 0.01482 0.44553 4.42478
86 3NDJ JHZ 0.0213 0.43403 4.42478
87 3NDJ SAH 0.0213 0.43403 4.42478
88 2WYV NAD 0.01273 0.43285 4.42478
89 1V47 ADX 0.01285 0.41927 4.42478
90 5T67 JHZ 0.04167 0.41846 4.42478
91 2CVZ NDP 0.02216 0.4179 4.42478
92 2Q7V FAD 0.04024 0.41305 4.42478
93 1NV8 MEQ 0.03316 0.40812 4.42478
94 1NV8 SAM 0.03485 0.40812 4.42478
95 5EB4 FAD 0.0498 0.4079 4.42478
96 1V7C HEY 0.03346 0.4074 4.42478
97 4PIO SAH 0.04361 0.40591 4.42478
98 4PIO AVI 0.04925 0.40525 4.42478
99 4NCN GTP 0.0296 0.40307 4.42478
100 1EK0 GNP 0.03473 0.40145 4.70588
101 1DJL NAP 0.02941 0.41588 4.83092
102 1P9P SAH 0.005079 0.44719 4.86726
103 4Q4K FMN 0.006615 0.44268 4.86726
104 1XVV CCQ 0.02294 0.42726 4.86726
105 5U5G NAP 0.0199 0.42367 4.86726
106 5AHO TLA 0.001144 0.42075 4.86726
107 4U0W 16G 0.0132 0.41808 4.86726
108 1TLL FMN 0.01709 0.41448 4.86726
109 1XA4 COA 0.01694 0.41394 4.86726
110 1S7G APR 0.03467 0.4111 4.86726
111 4RVU NDP 0.04278 0.41042 4.86726
112 5JWC FAD 0.04217 0.4081 4.86726
113 1S7G NAD 0.03585 0.40713 4.86726
114 1MV8 NAD 0.03756 0.40432 4.86726
115 5THQ NDP 0.04165 0.40146 4.86726
116 3M6P BB2 0.002552 0.45272 5.18135
117 4DR9 BB2 0.001078 0.47143 5.20833
118 5WDR GNP 0.03204 0.40589 5.26316
119 1N7G NDP 0.006449 0.47931 5.30973
120 5BRE 4UZ 0.03181 0.41603 5.30973
121 3JQ7 NAP 0.03872 0.40311 5.30973
122 1D4O NAP 0.02977 0.40694 5.43478
123 4HGP KDO 0.0084 0.42567 5.55556
124 4W6Z 8ID 0.009798 0.44426 5.75221
125 2IV2 2MD 0.01025 0.44024 5.75221
126 2IV2 MGD 0.02847 0.42269 5.75221
127 2GKS ADP 0.01716 0.41588 5.75221
128 4IP7 FBP 0.01227 0.41081 5.75221
129 1WP4 NDP 0.03067 0.41041 5.75221
130 4USR FAD 0.03405 0.41039 5.75221
131 4ADC PLP 0.02584 0.40853 5.75221
132 4MAF ADX 0.01909 0.4071 5.75221
133 1JS3 PLP 142 0.02612 0.40417 5.75221
134 4IF4 BEF 0.000002192 0.53693 5.76923
135 2B82 ADN 0.009527 0.42693 6.16114
136 2BOI MFU 0.0009542 0.45685 6.19469
137 3VC3 C6P 0.01225 0.42751 6.19469
138 3CV7 NAP 0.02448 0.4252 6.19469
139 3CV7 C2U 0.02543 0.4252 6.19469
140 4USQ FAD 0.03046 0.41482 6.19469
141 2QQF A1R 0.03186 0.4051 6.19469
142 2FKA BEF 0.00002443 0.47284 6.20155
143 3FGZ BEF 0.000003213 0.5087 6.25
144 5UWR GNP 0.03277 0.4044 6.29371
145 5DI9 GNP 0.03451 0.40393 6.29371
146 5UWP GNP 0.03708 0.40226 6.29371
147 5UWI GNP 0.03646 0.40177 6.29371
148 5UWU GNP 0.03628 0.40166 6.29371
149 5UWT GNP 0.03706 0.40107 6.29371
150 5DHF GNP 0.03778 0.40069 6.29371
151 5DIF GNP 0.03867 0.40039 6.29371
152 1L5Y BEF 0.0000214 0.47591 6.45161
153 4PNE SAH 0.008902 0.43401 6.63717
154 4YRY NAD 0.04607 0.41381 6.63717
155 4RQU NAD 0.03041 0.41261 6.63717
156 3RJ5 NAD 0.04302 0.4092 6.63717
157 5L4S NAP 0.04815 0.40736 6.63717
158 5L4S 6KX 0.04815 0.40736 6.63717
159 4YDD MGD 0.04906 0.42855 7.07965
160 4YDD MD1 0.04906 0.42855 7.07965
161 3B8X G4M 0.01763 0.42705 7.07965
162 2FZW NAD 0.03324 0.42406 7.07965
163 4NTC FAD 0.03486 0.42086 7.07965
164 1H2B NAJ 0.02856 0.41642 7.07965
165 2Z6J FMN 0.02619 0.41137 7.07965
166 1D1T NAD 0.0338 0.40952 7.07965
167 4JK3 NAD 0.03951 0.40301 7.07965
168 5E72 SAM 0.02914 0.40105 7.07965
169 1RL4 BRR 0.0005229 0.44296 7.44681
170 3LAD FAD 0.04641 0.41295 7.52212
171 4MP8 NAD 0.04335 0.40668 7.52212
172 5I7A 68Q 0.01632 0.41595 7.66871
173 4MCC 21X 0.01318 0.4273 7.9646
174 2PZM NAD 0.03145 0.42135 7.9646
175 2PZM UDP 0.03145 0.42135 7.9646
176 1N2X SAM 0.01454 0.42005 7.9646
177 3GJX GTP 0.02784 0.40843 7.9646
178 4BVA T3 0.03403 0.41805 8.40708
179 5UAV NDP 0.04236 0.40904 8.40708
180 5UAV TFB 0.04236 0.40904 8.40708
181 5AYV KPL 0.03954 0.40744 8.40708
182 4BVA NDP 0.03594 0.40738 8.40708
183 4UUG PXG 0.03288 0.40044 8.40708
184 1H5Q NAP 0.01982 0.42488 8.67924
185 2RAB FAD 0.04579 0.41059 8.84956
186 5GXU FMN 0.003262 0.44971 9.29204
187 5L4L 7OX 0.007041 0.45646 9.73451
188 5L4L NAP 0.003835 0.45587 9.73451
189 5GM1 SAH 0.02655 0.40656 9.73451
190 3JYN NDP 0.04735 0.40633 10.177
191 2JAR UMP 0.00001863 0.56878 10.5
192 1KOJ PAN 0.01381 0.41855 10.6195
193 4JNA FAD 0.04175 0.41339 10.6195
194 1F9A ATP 0.01526 0.41204 10.7143
195 3E81 SLB 0.00858 0.41238 10.9756
196 2GAG NAD 0.04809 0.40697 11.0619
197 3ZM6 2GN 0.01996 0.41597 11.5044
198 1SB8 NAD 0.03917 0.4201 11.9469
199 1SB8 UD2 0.0437 0.4201 11.9469
200 4XQC NAD 0.04336 0.41459 11.9469
201 4RJK TPP 0.03169 0.40932 11.9469
202 3WXM GTP 0.007716 0.43617 12.3894
203 3VMF GTP 0.007829 0.43593 12.3894
204 2HK9 ATR 0.01504 0.40414 12.3894
205 5X30 4LM 0.0256 0.40176 12.3894
206 5H56 TYD 0.02149 0.41823 12.8205
207 5H56 ADP 0.02149 0.41823 12.8205
208 5IN4 NAP 0.04897 0.44914 12.8319
209 5IN4 6CK 0.04853 0.44914 12.8319
210 1H6C NDP 0.04259 0.41155 12.8319
211 1QH9 LAC 0.00002953 0.52995 13.2743
212 2DBZ NAP 0.02522 0.41395 13.2743
213 5MPT SAH 0.02107 0.40708 13.7168
214 3L8G GMB 0.0005478 0.44249 14.4385
215 4IYO 0JO 0.02997 0.40109 15.4867
216 5AVF TAU 0.0132 0.40258 15.9292
217 3WYG GTP 0.03507 0.404 17.1053
218 4L6C 0BT 0.000009838 0.59319 17.8218
219 2YN4 39J 0.00004121 0.52295 19.469
220 2P69 PLP 0.002361 0.42351 20.354
221 3A1C ACP 0.01254 0.42288 21.2389
222 1RQL VSO 0.00008059 0.45628 34.5133
223 3QXG TLA 0.01102 0.41532 38.0531
224 1Z4O GL1 0.000002996 0.61773 40.724
Pocket No.: 2; Query (leader) PDB : 1TE2; Ligand: PGA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1te2.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1TE2; Ligand: PGA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1te2.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1TE2; Ligand: PGA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1te2.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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