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: 114
This union binding pocket(no: 1) in the query (biounit: 4utw.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3VKC FPQ 0.0002204 0.4371 1.31004
2 3OIX FMN 0.003284 0.42932 1.73913
3 3MAN BMA BMA MAN 0.015 0.41495 1.74672
4 4HKP TKW 0.0002402 0.47945 2.18341
5 4HKP 16B 0.0003567 0.46527 2.18341
6 2QCD U5P 0.0001366 0.45392 2.18341
7 3CTL S6P 0.0007916 0.4254 2.18341
8 5MW4 5JU 0.02305 0.40868 2.18341
9 3WQD PLP 999 0.006073 0.40007 2.5641
10 3HF3 FMN 0.0006356 0.41878 2.62009
11 4ZZW CBI 0.02404 0.40296 2.62009
12 3NTY 5P3 0.03373 0.4005 2.62009
13 3NTY NAP 0.03235 0.4005 2.62009
14 1QKQ MAN 0.0008092 0.44011 2.8169
15 3TAO PGH 0.000004495 0.56737 3.05677
16 3MI2 PFU 0.001399 0.47512 3.05677
17 1F76 FMN 0.007177 0.41679 3.05677
18 5VSM MET 0.0015 0.41358 3.05677
19 5VSM 5AD 0.001924 0.40892 3.05677
20 1OIJ AKG 0.01823 0.40267 3.05677
21 1GVE NAP 0.02242 0.4023 3.05677
22 3OVR 5SP 0.0001125 0.49448 3.07018
23 3KRU FMN 0.0004449 0.48221 3.49345
24 2OEM 1AE 0.0006352 0.45952 3.49345
25 1VYP FMN 0.002092 0.44163 3.49345
26 1VYP TNF 0.001984 0.44107 3.49345
27 1YNQ NDP 0.01713 0.40058 3.49345
28 4J56 FAD 0.02862 0.40743 3.50877
29 4EWN 0VR 0.0001691 0.47487 3.93013
30 1M5W DXP 0.0009004 0.46955 3.93013
31 2HSA FMN 0.001163 0.45814 3.93013
32 3GDN FAD 0.01629 0.41789 3.93013
33 3GDN HBX 0.0219 0.41789 3.93013
34 5EB4 FAD 0.02225 0.40942 3.93013
35 1JCM 137 0.0005723 0.443 4.36681
36 1UJP CIT 0.0006583 0.44164 4.36681
37 4M00 SUC 0.009449 0.41938 4.36681
38 2B4G FMN 0.01022 0.41108 4.36681
39 3UWV 2PG 0.000567 0.42402 4.80349
40 3MJY FMN 0.001287 0.46031 4.91329
41 3MJY IJZ 0.001287 0.46031 4.91329
42 1IR2 CAP 0.002778 0.42912 5
43 2V6A CAP 0.002913 0.42631 5
44 2VDH CAP 0.00332 0.42561 5
45 1PS9 FMN 0.001716 0.44048 5.2161
46 2YPI PGA 0.000009439 0.55204 5.24017
47 2ZRU FMN 0.003036 0.44743 5.24017
48 4CW5 FMN 0.000892 0.44741 5.24017
49 4CNK FAD 0.01693 0.41337 5.24017
50 4D7E FAD 0.02233 0.40553 5.24017
51 2Z6I FMN 0.0001666 0.4867 5.42169
52 3AXK NDP 0.004047 0.41378 5.42636
53 3EXS 5RP 0.000006623 0.55936 5.42986
54 1WDD CAP 0.003245 0.42419 5.46875
55 1OVD ORO 0.0002937 0.49626 5.67686
56 1OVD FMN 0.0002937 0.49626 5.67686
57 4XP7 FNR 0.0008265 0.4489 5.67686
58 2Q3R FMN 0.002738 0.42752 5.67686
59 2BNJ XYP XYP AHR FER 0.007366 0.41627 5.67686
60 4ORM 2V6 0.002374 0.47398 6.11354
61 4ORM ORO 0.002374 0.47398 6.11354
62 4ORM FMN 0.002374 0.47398 6.11354
63 4M52 FAD 0.01579 0.41856 6.22318
64 4YMZ 13P 0.00001558 0.54956 6.3745
65 3KDN CAP 0.001149 0.47842 6.55022
66 5L8L ADP 0.007844 0.41299 6.55022
67 5GJO PLP 0.004159 0.4094 6.55022
68 3RFA SAM 0.00566 0.4017 6.55022
69 3HQP OXL 0.02582 0.40056 6.9869
70 1UZH CAP 0.003294 0.42576 7.37705
71 2C6Q IMP 0.002662 0.43518 7.42358
72 2C6Q NDP 0.007316 0.43502 7.42358
73 2V67 CAP 0.003329 0.42555 7.42358
74 1Q6O LG6 0.00004681 0.49956 7.87037
75 4NAE 1GP 0.00002094 0.44205 8
76 2BTM PGA 0.00001041 0.5581 8.29694
77 4IXH IMP 0.00133 0.44735 8.29694
78 2Q8Z NUP 0.0003571 0.41959 8.29694
79 2CH5 NAG 0.005026 0.41777 8.29694
80 4K38 SAM 0.0042 0.40179 8.29694
81 1DBT U5P 0.0002549 0.45046 8.73362
82 1DQX BMP 0.0001805 0.44052 8.73362
83 4QNW FMN 0.002013 0.43548 8.73362
84 4ZBY URA 0.01144 0.42667 8.76289
85 4IGH ORO 0.004271 0.46162 9.17031
86 4IGH FMN 0.004271 0.46162 9.17031
87 4IGH 1EA 0.004271 0.46162 9.17031
88 3GLC R5P 0.004815 0.41864 9.17031
89 5CSS G3P 0.0009591 0.41582 9.29204
90 2FLI DX5 0.00002804 0.47287 9.60699
91 2Q3O FMN 0.0006456 0.45986 9.60699
92 5A5W GUO 0.00000455 0.58789 10.4803
93 1Z44 FMN 0.0008931 0.44762 10.4803
94 1Z41 FMN 0.0007804 0.44545 10.4803
95 1Z42 FMN 0.003938 0.40325 10.4803
96 1X1Z BMP 0.0006141 0.49287 10.917
97 1TB3 FMN 0.003397 0.43766 10.917
98 1VHN FMN 0.002529 0.43164 10.917
99 4A3U FMN 0.003277 0.42587 11.3537
100 5OCS FMN 0.001187 0.42186 11.3537
101 1ICP FMN 0.001474 0.45332 12.2271
102 5EYW PGA 0.00001495 0.55043 12.6638
103 2F6U CIT 0.00007589 0.45074 12.6638
104 1SW0 PGA 0.000009104 0.51325 14.1129
105 3B0P FMN 0.00001634 0.5198 14.4105
106 1RBL CAP 0.001291 0.44613 14.8472
107 1EIX BMQ 0.0005581 0.45428 15.2838
108 3W9Z FMN 0.00011 0.48819 17.4672
109 1TRD PGH 0.02366 0.40118 18
110 4Q4K FMN 0.0002154 0.41065 18.3406
111 1OX5 1PR 0.0001308 0.50098 18.7773
112 3QH2 3NM 0.0005359 0.48086 19.9095
113 4JIQ FMN 0.006889 0.41762 26.2009
114 4JIQ 1L5 0.006889 0.41762 26.2009
Pocket No.: 2; Query (leader) PDB : 4UTW; Ligand: RFW; 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: 4utw.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4UTW; Ligand: RFW; Similar sites found: 29
This union binding pocket(no: 3) in the query (biounit: 4utw.bio3) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3C8F MT2 0.009452 0.40799 1.31004
2 3UEC ALA ARG TPO LYS 0.02618 0.4009 2.05479
3 3AI8 HNQ 0.01581 0.40693 2.62009
4 3WKX FUB 0.01434 0.41104 3.49345
5 2CFC KPC 0.01959 0.40434 3.49345
6 1VKF CIT 0.003569 0.44144 3.7234
7 2FUE M1P 0.01906 0.40139 3.93013
8 4F0E 0RU 0.04211 0.40056 4
9 2PCU ASP 0.007753 0.41774 4.36681
10 2BO9 VAL 0.01548 0.4074 4.36681
11 3BJE URA 0.01736 0.40485 4.36681
12 4I9A NCN 0.005671 0.40172 4.51389
13 3U6W KIV 0.02129 0.4007 4.80349
14 1QDS PGA 0.000008592 0.55398 5.24017
15 1C5C TK4 0.01481 0.40859 5.60748
16 2FB3 5AD 0.008871 0.40235 5.67686
17 4JGT PYR 0.01002 0.42263 6.02007
18 2BLE 5GP 0.005053 0.4268 6.9869
19 4AF0 IMP 0.0006429 0.41284 8.73362
20 4D1J DGJ 0.01887 0.40258 8.73362
21 1BWV CAP 0.003573 0.40158 8.73362
22 1LYX PGA 0.00003568 0.511 10.0437
23 4K7O EKZ 0.007313 0.41874 10.119
24 1Z48 FMN 0.000723 0.44692 10.4803
25 4JEJ 1GP 0.00003011 0.521 10.917
26 3QMN A3P 0.02003 0.4055 13.1783
27 3H0L ADP 0.01405 0.40505 14.8936
28 4BI7 PGA 0.00001625 0.54865 17.4672
29 1GVF PGH 0.01462 0.40865 25.3275
Pocket No.: 4; Query (leader) PDB : 4UTW; Ligand: RFW; 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: 4utw.bio3) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4UTW; Ligand: RFW; Similar sites found: 10
This union binding pocket(no: 5) in the query (biounit: 4utw.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PCA VAL 0.01556 0.40637 3.49345
2 2GJ5 VD3 0.03179 0.40118 3.7037
3 4FHD EEM 0.01825 0.40771 3.93013
4 5FLJ QUE 0.01555 0.40014 5.37634
5 4BS0 6NT 0.0153 0.40117 5.67686
6 4UWJ MYA 0.01046 0.44469 7.42358
7 4UWJ 7L5 0.01046 0.44469 7.42358
8 1GYM MYG 0.01807 0.40091 7.42358
9 2YNE YNE 0.04697 0.41854 12.2271
10 2YNE NHW 0.04697 0.41854 12.2271
Pocket No.: 6; Query (leader) PDB : 4UTW; Ligand: RFW; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4utw.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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