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Receptor
PDB id Resolution Class Description Source Keywords
4UTU 1.45 Å EC: 5.1.3.9 STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF THE N- ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE FROM CLOSTRIDIUM P ERFRINGENS CLOSTRIDIUM PERFRINGENS STR. 13 ISOMERASE SUGAR 2-EPIMERASE SIALIC ACID SUGAR PHOSPHATE MECHANISM CARBOHYDRATE MUTAGENESIS 1H NMR SPECTROSCOPY
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF THE CLOSTRIDIUM PERFRINGENS N-ACETYLMANNOSAMINE-6-PHOSP 2-EPIMERASE ESSENTIAL FOR THE SIALIC ACID SALVAGE P J.BIOL.CHEM. V. 289 35215 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LRY B:301;
A:301;
Valid;
Valid;
none;
none;
submit data
301.188 C8 H16 N O9 P CC(=O...
CL B:1221;
A:1221;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UTU 1.45 Å EC: 5.1.3.9 STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF THE N- ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE FROM CLOSTRIDIUM P ERFRINGENS CLOSTRIDIUM PERFRINGENS STR. 13 ISOMERASE SUGAR 2-EPIMERASE SIALIC ACID SUGAR PHOSPHATE MECHANISM CARBOHYDRATE MUTAGENESIS 1H NMR SPECTROSCOPY
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF THE CLOSTRIDIUM PERFRINGENS N-ACETYLMANNOSAMINE-6-PHOSP 2-EPIMERASE ESSENTIAL FOR THE SIALIC ACID SALVAGE P J.BIOL.CHEM. V. 289 35215 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4UTU - LRY C8 H16 N O9 P CC(=O)N[C@....
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 4UTU - LRY C8 H16 N O9 P CC(=O)N[C@....
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 4UTU - LRY C8 H16 N O9 P CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LRY; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 LRY 1 1
2 RFW 0.729167 0.931818
3 MN9 0.608696 0.727273
4 M2P 0.52381 0.727273
5 GOS 0.52381 0.727273
6 G6Q 0.520833 0.767442
7 6PG 0.48 0.75
8 LG6 0.48 0.75
9 R5P 0.479167 0.767442
10 R52 0.479167 0.767442
11 S6P 0.468085 0.688889
12 I22 0.461538 0.733333
13 22H 0.460317 0.877551
14 KD0 0.45283 0.75
15 LX1 0.446809 0.727273
16 PA5 0.44 0.75
17 R10 0.44 0.75
18 H4P 0.436364 0.770833
19 PAN 0.433962 0.893617
20 M6R 0.431373 0.787234
21 AGP 0.431373 0.787234
22 DXP 0.428571 0.727273
23 9C2 0.425926 0.875
24 E4P 0.425532 0.72093
25 TG6 0.423077 0.733333
26 F6R 0.423077 0.733333
27 TX4 0.42 0.851064
28 DG6 0.42 0.659574
29 DX5 0.416667 0.673913
30 A5P 0.416667 0.673913
31 LXP 0.416667 0.673913
32 2FP 0.407407 0.75
33 P6T 0.407407 0.75
34 P6F 0.407407 0.75
35 1NT 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UTU; Ligand: LRY; Similar sites found with APoc: 243
This union binding pocket(no: 1) in the query (biounit: 4utu.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4BX7 B4F None
2 2WPU KYT None
3 3C8F MT2 1.31004
4 3OIX FMN 1.73913
5 3MAN BMA BMA MAN 1.74672
6 2QCD U5P 2.18341
7 4HKP 16B 2.18341
8 4HKP TKW 2.18341
9 3CTL S6P 2.18341
10 2G50 PYR 2.18341
11 1H5Q NAP 2.18341
12 3WQD PLP 999 2.5641
13 2VDF OCT 2.62009
14 3HF3 FMN 2.62009
15 3EAU NDP 2.62009
16 3EAU PDN 2.62009
17 4CDN FAD 2.62009
18 1QKQ MAN 2.8169
19 3TAO PGH 3.05677
20 3MI2 PFU 3.05677
21 2OEM 1AE 3.05677
22 3VKC FPQ 3.05677
23 1NAA ABL 3.05677
24 1F76 FMN 3.05677
25 5VSM MET 3.05677
26 5VSM 5AD 3.05677
27 1ZQ5 NAP 3.05677
28 1ZQ5 E04 3.05677
29 4YNU FAD 3.05677
30 3G6K FAD 3.05677
31 3G6K POP 3.05677
32 1GVE NAP 3.05677
33 3PP0 03Q 3.05677
34 4K38 SAM 3.05677
35 3OVR 5SP 3.07018
36 2I74 MAN MAN MAN MAN 3.1746
37 3KRU FMN 3.49345
38 1VYP FMN 3.49345
39 1VYP TNF 3.49345
40 2GOU FMN 3.49345
41 2A8X FAD 3.49345
42 2NVK FAD 3.49345
43 1PCA VAL 3.49345
44 2CFC KPC 3.49345
45 1IZC PYR 3.49345
46 4J56 FAD 3.50877
47 1VKF CIT 3.7234
48 4EWN 0VR 3.93013
49 2HSA FMN 3.93013
50 4WZH FMN 3.93013
51 3C3N FMN 3.93013
52 1OYB HBA 3.93013
53 1OYB FMN 3.93013
54 1M5W DXP 3.93013
55 4N02 FNR 3.93013
56 5EB4 FAD 3.93013
57 1QPR PPC 3.93013
58 5XFV FMN 4.36681
59 1UJP CIT 4.36681
60 5TKL G3H 4.36681
61 5X7Q GLC GLC 4.36681
62 4MIB 28M 4.36681
63 2NVA PL2 4.36681
64 3BJE URA 4.36681
65 4I9A NCN 4.51389
66 3UWV 2PG 4.80349
67 3ATY FMN 4.80349
68 2OO0 PLP 4.80349
69 3MJY IJZ 4.91329
70 3MJY FMN 4.91329
71 1PS9 FMN 5.2161
72 2YPI PGA 5.24017
73 1QDS PGA 5.24017
74 4CW5 FMN 5.24017
75 2ZRU FMN 5.24017
76 4D7E FAD 5.24017
77 4CNK FAD 5.24017
78 2C91 NAP 5.32544
79 2Z6I FMN 5.42169
80 3AXK NDP 5.42636
81 3EXS 5RP 5.42986
82 1WDD CAP 5.46875
83 1OVD ORO 5.67686
84 1OVD FMN 5.67686
85 4XP7 FNR 5.67686
86 2Q3R FMN 5.67686
87 1YNQ NDP 5.67823
88 4JGT PYR 5.68562
89 1RBO CAP 5.69106
90 1IR1 CAP 5.69106
91 2TPS TPS 5.72687
92 4ORM FMN 6.11354
93 4ORM ORO 6.11354
94 4ORM 2V6 6.11354
95 1TV5 FMN 6.11354
96 2R14 FMN 6.11354
97 2R14 TXD 6.11354
98 2FFC U5P 6.11354
99 4RJK TPP 6.11354
100 5N9Z CAP 6.11354
101 3UIM ANP 6.11354
102 5Z2L NDP 6.11354
103 4YMZ 13P 6.3745
104 1IR2 CAP 6.42857
105 2V6A CAP 6.42857
106 2V63 CAP 6.42857
107 2VDH CAP 6.42857
108 1GK8 CAP 6.42857
109 3KDN CAP 6.55022
110 5YJS SAL 6.55022
111 4U5I BXP 6.55022
112 6F5W KG1 6.55022
113 5GJO PLP 6.55022
114 5K0A FAD 6.55022
115 5L8L ADP 6.55022
116 5OVL NAP 6.55022
117 1UZD CAP 6.71642
118 1JCM 137 6.9869
119 2BLE 5GP 6.9869
120 4M5P FMN 6.9869
121 1FFU CDP 6.9869
122 2WSI FAD 6.9869
123 3HQP OXL 6.9869
124 1L5Y BEF 7.09677
125 1SW0 PGA 7.25806
126 1UZH CAP 7.37705
127 2C6Q NDP 7.42358
128 2V67 CAP 7.42358
129 2C6Q IMP 7.42358
130 2V68 CAP 7.42358
131 5T79 NDP 7.42358
132 2NLI LAC 7.42358
133 2NLI FMN 7.42358
134 1O5Q PYR 7.42358
135 5TCI MLI 7.86026
136 5AHN IMP 7.86026
137 2WPF FAD 7.86026
138 2WPF WPF 7.86026
139 5AHM IMP 7.86026
140 3FPF TNA 7.86026
141 3FPF MTA 7.86026
142 3G08 FEE 7.86026
143 1UWK NAD 7.86026
144 1UWK URO 7.86026
145 1Q6O LG6 7.87037
146 4NAE 1GP 8
147 2BTM PGA 8.29694
148 5J5R IMP 8.29694
149 5J5R 6G1 8.29694
150 4IXH IMP 8.29694
151 2Q8Z NUP 8.29694
152 4AF0 IMP 8.29694
153 2PT9 2MH 8.29694
154 5OYA CAP 8.63309
155 1PVN MZP 8.73362
156 1LBF 137 8.73362
157 4Z87 5GP 8.73362
158 4Z0G 5GP 8.73362
159 1ME8 RVP 8.73362
160 1DBT U5P 8.73362
161 1DQX BMP 8.73362
162 1BWV CAP 8.73362
163 4QNW FMN 8.73362
164 4IGH 1EA 9.17031
165 4IGH FMN 9.17031
166 4IGH ORO 9.17031
167 1UUO ORO 9.17031
168 1UUO FMN 9.17031
169 1UUO BRF 9.17031
170 4TMC HBA 9.17031
171 4TMC FMN 9.17031
172 3GLC R5P 9.17031
173 5CSS G3P 9.29204
174 2FLI DX5 9.60699
175 1P4C FMN 9.60699
176 6BFG FMN 9.60699
177 2Q3O FMN 9.60699
178 1Z2I NAD 9.60699
179 1OZH HE3 9.60699
180 1LYX PGA 10.0437
181 1AL8 DHP 10.0437
182 1AL8 FMN 10.0437
183 5O0B 9FE 10.0437
184 5A5W GUO 10.4803
185 5EYW PGA 10.4803
186 4JEJ 1GP 10.917
187 1X1Z BMP 10.917
188 1CX9 NHP 10.917
189 1OFD FMN 10.917
190 1OFD AKG 10.917
191 1Z44 FMN 10.917
192 1Z48 FMN 10.917
193 1Z42 FMN 10.917
194 1VHN FMN 10.917
195 1Z41 FMN 10.917
196 1TB3 FMN 10.917
197 6DVH FMN 10.917
198 1LOR BMP 10.9649
199 2RDT 2RD 11.3537
200 2RDT FMN 11.3537
201 4A3U FMN 11.3537
202 5OCS FMN 11.3537
203 4CS4 AXZ 11.3537
204 4CS4 ANP 11.3537
205 1EP2 ORO 11.7904
206 1EP2 FMN 11.7904
207 1KBI PYR 11.7904
208 1KBI FMN 11.7904
209 1KBJ FMN 11.7904
210 1P4V GLY 11.7904
211 2Y88 2ER 12.2271
212 1ICP FMN 12.2271
213 6BKA FMN 12.2271
214 5GVH FMN 12.2271
215 2F6U CIT 12.6638
216 2GJN NIS 13.1004
217 2GJN FMN 13.1004
218 2Y7P SAL 13.3028
219 5WS9 ATP 13.5371
220 2H8Z FMN 13.5371
221 2H8Z 8CM 13.5371
222 3CV6 HXS 13.6223
223 3CV6 NAP 13.6223
224 3B0P FMN 14.4105
225 3H0L ADP 14.8936
226 2Z6J FMN 15.2838
227 1EIX BMQ 15.2838
228 1RBL CAP 15.2838
229 4BI7 PGA 15.5642
230 1FDJ 13P 16.5939
231 1OX5 1PR 17.0306
232 3W9Z FMN 17.4672
233 1TRD PGH 18
234 1GTE FMN 18.3406
235 1GTE IUR 18.3406
236 4Q4K FMN 18.3406
237 3QH2 3NM 19.9095
238 3BW2 FMN 21.3974
239 6BVE PGA 24.0175
240 1GVF PGH 25.3275
241 4JIQ 1L5 25.7642
242 4JIQ FMN 25.7642
243 5HSA FAS 25.7642
Pocket No.: 2; Query (leader) PDB : 4UTU; Ligand: LRY; Similar sites found with APoc: 18
This union binding pocket(no: 2) in the query (biounit: 4utu.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3NW7 LGV 1.74672
2 5MW4 5JU 2.18341
3 2VAP GDP 3.05677
4 2HK1 FUD 3.49345
5 2BP1 NDP 3.93013
6 3SSO SAH 5.24017
7 4JTA NAP 5.40541
8 1APZ ASP 6.17284
9 4NAT 2W5 6.25
10 2IHU TP9 6.55022
11 4UWJ MYA 7.42358
12 4UWJ 7L5 7.42358
13 4AVV CD 7.84314
14 4D52 GXL 7.86026
15 4D52 GIV 7.86026
16 2AOU CQA 9.17031
17 6FP4 FAD 10.4803
18 3BZ3 YAM 12.6812
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