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Receptor
PDB id Resolution Class Description Source Keywords
4UTW 1.9 Å EC: 5.1.3.9 STRUCTURAL CHARACTERISATION OF NANE, MANNAC6P C2 EPIMERASE, FROM CLOSTRIDIUM PERFINGENS 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
RFW D:1222;
B:1222;
C:1222;
A:1222;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
299.172 C8 H14 N O9 P CC(=O...
CL C:1221;
D:1221;
B:1221;
A:1221;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UTW 1.9 Å EC: 5.1.3.9 STRUCTURAL CHARACTERISATION OF NANE, MANNAC6P C2 EPIMERASE, FROM CLOSTRIDIUM PERFINGENS 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 4UTW - RFW C8 H14 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 4UTW - RFW C8 H14 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 4UTW - RFW C8 H14 N O9 P CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RFW; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 RFW 1 1
2 LRY 0.729167 0.931818
3 MN9 0.5625 0.744186
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UTW; Ligand: RFW; Similar sites found with APoc: 254
This union binding pocket(no: 1) in the query (biounit: 4utw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4BX7 B4F None
2 2WPU KYT None
3 3VKC FPQ 1.31004
4 3C8F MT2 1.31004
5 4X9X OLA 1.33779
6 3OIX FMN 1.73913
7 3MAN BMA BMA MAN 1.74672
8 3UEC ALA ARG TPO LYS 2.05479
9 2QCD U5P 2.18341
10 4HKP TKW 2.18341
11 4HKP 16B 2.18341
12 3CTL S6P 2.18341
13 2G50 PYR 2.18341
14 5MW4 5JU 2.18341
15 3EAU PDN 2.18341
16 3EAU NDP 2.18341
17 3WQD PLP 999 2.5641
18 6GAS FAD 2.62009
19 3AI8 HNQ 2.62009
20 3HF3 FMN 2.62009
21 4ZZW CBI 2.62009
22 5G4L NDP 2.62009
23 3NTY 5P3 2.62009
24 3NTY NAP 2.62009
25 1QKQ MAN 2.8169
26 3TAO PGH 3.05677
27 3MI2 PFU 3.05677
28 1ZQ5 NAP 3.05677
29 1ZQ5 E04 3.05677
30 1NAA ABL 3.05677
31 1F76 FMN 3.05677
32 5VSM MET 3.05677
33 5VSM 5AD 3.05677
34 2VAP GDP 3.05677
35 3G6K POP 3.05677
36 3G6K FAD 3.05677
37 1GVE NAP 3.05677
38 1OIJ AKG 3.05677
39 3OVR 5SP 3.07018
40 3KRU FMN 3.49345
41 2OEM 1AE 3.49345
42 1VYP FMN 3.49345
43 1VYP TNF 3.49345
44 5AE2 FAD 3.49345
45 5AE2 FYC 3.49345
46 2GOU FMN 3.49345
47 3WKX FUB 3.49345
48 2CFC KPC 3.49345
49 4WHZ 3NL 3.49345
50 1YNQ NDP 3.49345
51 2HK1 FUD 3.49345
52 4J56 FAD 3.50877
53 1Y7P RIP 3.58744
54 1VKF CIT 3.7234
55 4EWN 0VR 3.93013
56 1M5W DXP 3.93013
57 2HSA FMN 3.93013
58 4WZH FMN 3.93013
59 3C3N FMN 3.93013
60 1OYB HBA 3.93013
61 1OYB FMN 3.93013
62 3GDN HBX 3.93013
63 3GDN FAD 3.93013
64 5EB4 FAD 3.93013
65 4N02 FNR 3.93013
66 1QPR PPC 3.93013
67 2FUE M1P 3.93013
68 5XFV FMN 4.36681
69 1JCM 137 4.36681
70 1UJP CIT 4.36681
71 5X7Q GLC GLC 4.36681
72 4M00 SUC 4.36681
73 2PCU ASP 4.36681
74 4MIB 28M 4.36681
75 2FFC U5P 4.36681
76 2NVA PL2 4.36681
77 3BJE URA 4.36681
78 4I9A NCN 4.51389
79 3UWV 2PG 4.80349
80 3ATY FMN 4.80349
81 2OO0 PLP 4.80349
82 3U6W KIV 4.80349
83 3MJY IJZ 4.91329
84 3MJY FMN 4.91329
85 1IR2 CAP 5
86 2V63 CAP 5
87 2V6A CAP 5
88 2VDH CAP 5
89 1GK8 CAP 5
90 1SU2 ATP 5.03145
91 1PS9 FMN 5.2161
92 1QDS PGA 5.24017
93 2YPI PGA 5.24017
94 4CW5 FMN 5.24017
95 5TKL G3H 5.24017
96 4CNK FAD 5.24017
97 2ZRU FMN 5.24017
98 4D7E FAD 5.24017
99 2C91 NAP 5.32544
100 4JTA NAP 5.40541
101 2Z6I FMN 5.42169
102 3AXK NDP 5.42636
103 3EXS 5RP 5.42986
104 1WDD CAP 5.46875
105 1C5C TK4 5.60748
106 1OVD ORO 5.67686
107 1OVD FMN 5.67686
108 4XP7 FNR 5.67686
109 2Q3R FMN 5.67686
110 1GPE FAD 5.67686
111 2FB3 5AD 5.67686
112 1RBO CAP 5.69106
113 1IR1 CAP 5.69106
114 2TPS TPS 5.72687
115 4JGT PYR 6.02007
116 4ORM ORO 6.11354
117 4ORM FMN 6.11354
118 4ORM 2V6 6.11354
119 1TV5 FMN 6.11354
120 2R14 TXD 6.11354
121 2R14 FMN 6.11354
122 5N9Z CAP 6.11354
123 4RJK TPP 6.11354
124 4M52 FAD 6.22318
125 4NAT 2W5 6.25
126 4YMZ 13P 6.3745
127 3KDN CAP 6.55022
128 5YJS SAL 6.55022
129 5GJO PLP 6.55022
130 5L8L ADP 6.55022
131 3RFA SAM 6.55022
132 1UZD CAP 6.71642
133 2BLE 5GP 6.9869
134 4M5P FMN 6.9869
135 1FFU CDP 6.9869
136 2WSI FAD 6.9869
137 3HQP OXL 6.9869
138 1UZH CAP 7.37705
139 2C6Q IMP 7.42358
140 2C6Q NDP 7.42358
141 2V68 CAP 7.42358
142 2V67 CAP 7.42358
143 5T79 NDP 7.42358
144 2NLI LAC 7.42358
145 1P4V GLY 7.42358
146 1O5Q PYR 7.42358
147 2NLI FMN 7.42358
148 5TCI MLI 7.86026
149 5AHN IMP 7.86026
150 3FPF TNA 7.86026
151 3FPF MTA 7.86026
152 5AHM IMP 7.86026
153 1Q6O LG6 7.87037
154 4NAE 1GP 8
155 2BTM PGA 8.29694
156 2Q8Z NUP 8.29694
157 5J5R IMP 8.29694
158 5J5R 6G1 8.29694
159 4IXH IMP 8.29694
160 2CH5 NAG 8.29694
161 4K38 SAM 8.29694
162 5OYA CAP 8.63309
163 1PVN MZP 8.73362
164 1DQX BMP 8.73362
165 4Z87 5GP 8.73362
166 1DBT U5P 8.73362
167 1LBF 137 8.73362
168 1ME8 RVP 8.73362
169 4AF0 IMP 8.73362
170 4Z0G 5GP 8.73362
171 4QNW FMN 8.73362
172 1BWV CAP 8.73362
173 4D1J DGJ 8.73362
174 1EXB NDP 8.73786
175 4IGH FMN 9.17031
176 4IGH ORO 9.17031
177 4IGH 1EA 9.17031
178 1UUO FMN 9.17031
179 1UUO ORO 9.17031
180 1UUO BRF 9.17031
181 3GLC R5P 9.17031
182 5CSS G3P 9.29204
183 2FLI DX5 9.60699
184 2Q3O FMN 9.60699
185 1P4C FMN 9.60699
186 6BFG FMN 9.60699
187 1LYX PGA 10.0437
188 1AL8 DHP 10.0437
189 1AL8 FMN 10.0437
190 5O0B 9FE 10.0437
191 4K7O EKZ 10.119
192 5A5W GUO 10.4803
193 1Z44 FMN 10.4803
194 1Z48 FMN 10.4803
195 1Z42 FMN 10.4803
196 1Z41 FMN 10.4803
197 1X1Z BMP 10.917
198 4JEJ 1GP 10.917
199 1CX9 NHP 10.917
200 1OFD FMN 10.917
201 1OFD AKG 10.917
202 1TB3 FMN 10.917
203 1VHN FMN 10.917
204 1LOR BMP 10.9649
205 2RDT 2RD 11.3537
206 2RDT FMN 11.3537
207 4A3U FMN 11.3537
208 5OCS FMN 11.3537
209 5GVH FMN 11.7904
210 1EP2 ORO 11.7904
211 1KBI PYR 11.7904
212 1KBI FMN 11.7904
213 1EP2 FMN 11.7904
214 1KBJ FMN 11.7904
215 5WAN URA 11.7904
216 2Y88 2ER 12.2271
217 1ICP FMN 12.2271
218 6BKA FMN 12.2271
219 2F6U CIT 12.6638
220 5EYW PGA 12.6638
221 3BZ3 YAM 12.6812
222 2GJN NIS 13.1004
223 2GJN FMN 13.1004
224 5A1S FLC 13.1004
225 3QMN A3P 13.1783
226 2Y7P SAL 13.3028
227 5WS9 ATP 13.5371
228 4TMC HBA 13.5371
229 4TMC FMN 13.5371
230 4URF NAD 13.5371
231 2H8Z FMN 13.5371
232 2H8Z 8CM 13.5371
233 3CV6 NAP 13.6223
234 3CV6 HXS 13.6223
235 1SW0 PGA 14.1129
236 3B0P FMN 14.4105
237 1RBL CAP 14.8472
238 3H0L ADP 14.8936
239 2Z6J FMN 15.2838
240 1EIX BMQ 15.2838
241 1FDJ 13P 16.5939
242 3W9Z FMN 17.4672
243 4BI7 PGA 17.4672
244 1TRD PGH 18
245 4Q4K FMN 18.3406
246 1GTE IUR 18.3406
247 1GTE FMN 18.3406
248 1OX5 1PR 18.7773
249 3QH2 3NM 19.9095
250 3BW2 FMN 21.3974
251 6BVE PGA 24.0175
252 1GVF PGH 25.3275
253 4JIQ FMN 26.2009
254 4JIQ 1L5 26.2009
Pocket No.: 2; Query (leader) PDB : 4UTW; Ligand: RFW; Similar sites found with APoc: 51
This union binding pocket(no: 2) in the query (biounit: 4utw.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2F01 BTQ None
2 2F01 BTN None
3 1LQA NDP 1.74672
4 5N87 N66 1.74672
5 5XVG 8FX 2.18341
6 2VPQ ANP 2.18341
7 5C9P FUC 2.18341
8 2BL9 NDP 2.18341
9 2BL9 CP6 2.18341
10 1H5Q NAP 2.18341
11 3WCA FPS 2.46575
12 4JDR FAD 2.62009
13 2VDF OCT 2.62009
14 4CDN FAD 2.62009
15 1JJ7 ADP 2.62009
16 3PPQ CHT 3.05677
17 6F5W KG1 3.05677
18 3PP0 03Q 3.05677
19 1ZK4 NAP 3.05677
20 1ZK4 AC0 3.05677
21 1BGV GLU 3.05677
22 2A8X FAD 3.49345
23 1IZC PYR 3.49345
24 2RKV ZBA 3.49345
25 1PCA VAL 3.49345
26 2OVD DAO 3.84615
27 5WUW NAP 3.93013
28 4FHD EEM 3.93013
29 4FHD 0TT 3.93013
30 1VFS DCS 3.93013
31 4NST ADP 3.93013
32 1O5R FR9 4.21348
33 5EPO NAP 4.36681
34 2PW0 TRC 5.03778
35 3SSO SAH 5.24017
36 5FLJ QUE 5.37634
37 5Z2L NDP 6.11354
38 5G1X ADP 6.55022
39 2XEM SSV 6.66667
40 3EPO MP5 6.9869
41 1U5R ATP 6.9869
42 4UWJ MYA 7.42358
43 4UWJ 7L5 7.42358
44 3GEG NAD 7.42358
45 1GYM MYG 7.42358
46 4IVG ANP 8.29694
47 2AOU CQA 9.17031
48 1Z2I NAD 9.60699
49 2F5Z FAD 10.9375
50 2E5V FAD 13.9738
51 4G6I RS3 15.7143
Pocket No.: 3; Query (leader) PDB : 4UTW; Ligand: RFW; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 4utw.bio3) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4A59 AMP 5.24017
Pocket No.: 4; Query (leader) PDB : 4UTW; Ligand: RFW; Similar sites found with APoc: 2
This union binding pocket(no: 4) in the query (biounit: 4utw.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1YKJ FAD 10.0437
2 1V59 FAD 13.5371
Pocket No.: 5; Query (leader) PDB : 4UTW; Ligand: RFW; Similar sites found with APoc: 10
This union binding pocket(no: 5) in the query (biounit: 4utw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1JQ3 AAT 2.18341
2 6GNO XDI 4.44444
3 5XLY C2E 8.27068
4 4H6Q TFB 8.29694
5 2NU8 COA 10.0437
6 2YNE YNE 12.2271
7 2YNE NHW 12.2271
8 4DP3 MMV 12.2271
9 4DP3 NDP 12.2271
10 3VZS CAA 17.4672
Pocket No.: 6; Query (leader) PDB : 4UTW; Ligand: RFW; Similar sites found with APoc: 8
This union binding pocket(no: 6) in the query (biounit: 4utw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2WSA 646 3.05677
2 2WSA MYA 3.05677
3 4GKV NAD 3.49345
4 5EFQ ADP 3.49345
5 4MZU TDR 4.80349
6 5OVL NAP 6.55022
7 4YRY FAD 7.86026
8 6H3O FAD 8.29694
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