Receptor
PDB id Resolution Class Description Source Keywords
1F6D 2.5 Å EC: 5.1.3.14 THE STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE FROM E. COLI. ESCHERICHIA COLI SUGAR-NUCLEOTIDE EPIMERASE ROSSMANN FOLD TWO DOMAINS GLYCOGEN PHOSPHORYLASE SUPERFAMILY UDP DIMER ISOMERASE
Ref.: THE STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE REVEALS HOMOLOGY TO PHOSPHOGLYCOSYL TRANSFERASES. BIOCHEMISTRY V. 39 14993 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1379;
B:2379;
C:3379;
D:4379;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
NA A:1378;
B:2378;
C:3378;
D:4378;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
UDP A:1377;
B:2377;
C:3377;
D:4377;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
404.161 C9 H14 N2 O12 P2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1F6D 2.5 Å EC: 5.1.3.14 THE STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE FROM E. COLI. ESCHERICHIA COLI SUGAR-NUCLEOTIDE EPIMERASE ROSSMANN FOLD TWO DOMAINS GLYCOGEN PHOSPHORYLASE SUPERFAMILY UDP DIMER ISOMERASE
Ref.: THE STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE REVEALS HOMOLOGY TO PHOSPHOGLYCOSYL TRANSFERASES. BIOCHEMISTRY V. 39 14993 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1F6D - UDP C9 H14 N2 O12 P2 C1=CN(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 4 families.
1 1F6D - UDP C9 H14 N2 O12 P2 C1=CN(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 3 families.
1 1F6D - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UDP; Similar ligands found: 116
No: Ligand ECFP6 Tc MDL keys Tc
1 UDP 1 1
2 UTP 0.892308 1
3 UNP 0.8 0.970149
4 U5P 0.78125 0.984615
5 UPU 0.72973 0.940298
6 2KH 0.722222 0.970149
7 44P 0.720588 0.955882
8 URM 0.717949 0.927536
9 GUD 0.717949 0.941176
10 GDU 0.717949 0.941176
11 UFM 0.717949 0.941176
12 UPG 0.717949 0.941176
13 660 0.717949 0.927536
14 UDP UDP 0.714286 0.939394
15 UDH 0.705128 0.864865
16 UPP 0.705128 0.941176
17 UPF 0.691358 0.888889
18 U2F 0.691358 0.888889
19 UFG 0.691358 0.888889
20 UDX 0.670732 0.941176
21 UAD 0.670732 0.941176
22 3UC 0.658824 0.888889
23 USQ 0.654762 0.820513
24 UGB 0.654762 0.955224
25 UGA 0.654762 0.955224
26 G3N 0.647059 0.914286
27 UDM 0.636364 0.914286
28 URI 0.625 0.863636
29 U 0.625 0.863636
30 UD1 0.622222 0.927536
31 UD2 0.622222 0.927536
32 UDP GAL 0.611765 0.913043
33 Y6W 0.607143 0.888889
34 CDP 0.605263 0.942029
35 UD7 0.591398 0.927536
36 HP7 0.591398 0.941176
37 MJZ 0.585106 0.914286
38 IUG 0.583333 0.810127
39 12V 0.578947 0.901408
40 HWU 0.578947 0.901408
41 UD4 0.578947 0.914286
42 CJB 0.573529 0.820895
43 UDZ 0.571429 0.853333
44 DUD 0.571429 0.913043
45 UP5 0.571429 0.853333
46 U U 0.563218 0.955224
47 EPZ 0.56 0.914286
48 5GW 0.559524 0.942029
49 EPU 0.554455 0.901408
50 EEB 0.554455 0.901408
51 UA3 0.547945 0.939394
52 U3P 0.547945 0.939394
53 CH 0.546667 0.913043
54 4TC 0.544554 0.831169
55 CTP 0.54321 0.942029
56 CSV 0.531915 0.851351
57 CSQ 0.531915 0.851351
58 DUT 0.52439 0.913043
59 4GW 0.516484 0.915493
60 UMA 0.513761 0.914286
61 U4S 0.513158 0.753425
62 U2P 0.506667 0.954545
63 U2S 0.5 0.767123
64 U3S 0.5 0.753425
65 PUP 0.48913 0.913043
66 U22 0.486957 0.790123
67 U21 0.486957 0.810127
68 U20 0.486957 0.810127
69 DKX 0.486486 0.746479
70 U1S 0.482759 0.75
71 A U 0.481132 0.805195
72 2QR 0.478632 0.822785
73 5FU 0.474359 0.914286
74 8OD 0.47191 0.851351
75 C5G 0.468085 0.888889
76 7XL 0.465909 0.888889
77 U U U U 0.461538 0.940298
78 UMF 0.461538 0.857143
79 G8D 0.460674 0.855263
80 UTP U U U 0.456522 0.895522
81 2TU 0.452055 0.774648
82 4RA 0.451613 0.855263
83 C2G 0.450549 0.901408
84 DU 0.45 0.898551
85 CAR 0.45 0.927536
86 C 0.45 0.927536
87 C5P 0.45 0.927536
88 UMP 0.45 0.898551
89 UAG 0.448 0.864865
90 CDC 0.446809 0.777778
91 UD0 0.444444 0.844156
92 5BU 0.444444 0.914286
93 N3E 0.440476 0.733333
94 UC5 0.440476 0.9
95 UUA 0.438356 0.772727
96 DUP 0.431818 0.887324
97 2GW 0.431373 0.901408
98 M7G 0.430108 0.780488
99 CNU 0.428571 0.927536
100 CDM 0.427083 0.842105
101 H6Y 0.425532 0.851351
102 16B 0.421687 0.888889
103 S5P 0.419753 0.915493
104 8GT 0.419355 0.855263
105 CXY 0.418367 0.888889
106 UPA 0.418182 0.842105
107 CDP MG 0.413793 0.849315
108 U2G 0.410714 0.822785
109 U A A U 0.409836 0.842105
110 UML 0.408759 0.810127
111 UP6 0.407407 0.871429
112 M7M 0.40625 0.771084
113 PMP UD1 0.404762 0.794872
114 1GW 0.40367 0.864865
115 BMP 0.402439 0.970149
116 APU 0.401786 0.828947
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1F6D; Ligand: UDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1f6d.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1F6D; Ligand: UDP; Similar sites found: 52
This union binding pocket(no: 2) in the query (biounit: 1f6d.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MN3 ACE PHE ALA TYR M3L SER NH2 0.01057 0.40469 None
2 4QYS PLP SEP 0.01461 0.41206 1.59574
3 2Z9V PXM 0.01292 0.40474 1.59574
4 2H1H AFH 0.01231 0.41101 1.79641
5 3Q3H UDP 0.0003787 0.48028 1.8617
6 3P3G 3P3 0.009349 0.42599 2
7 3P3G UKW 0.009349 0.42599 2
8 1U3D FAD 0.02132 0.40795 2.12766
9 2IV3 UDP 0.01563 0.40423 2.33918
10 2R2N PMP 0.00586 0.40457 2.39362
11 3R6U CHT 0.003515 0.40208 2.46479
12 5TA6 79D 0.02633 0.40202 2.7933
13 2WTX VDO 0.01098 0.43197 2.92553
14 2WTX UDP 0.01047 0.43197 2.92553
15 3MJY FMN 0.03006 0.40509 2.92553
16 3MJY IJZ 0.03006 0.40509 2.92553
17 4BHL ARG 0.006739 0.41741 3.37079
18 2IW1 U2F 0.02725 0.40126 3.47594
19 4MFL MFK 0.03484 0.40591 3.47826
20 2ZYJ PGU 0.01594 0.41299 3.7234
21 3RG9 NDP 0.03837 0.40371 3.75
22 4L2I NAD 0.0183 0.42786 3.75723
23 5FP3 3JI 0.01281 0.41181 4.25532
24 3PNL ADP 0.02057 0.40166 4.48179
25 4J7U YTZ 0.04067 0.40774 4.51389
26 4J7U NAP 0.04067 0.40774 4.51389
27 5LWV UDP 0.003782 0.44572 4.52128
28 5BNW 12V 0.005423 0.44435 4.52128
29 4GYW UDP 0.005715 0.44197 4.52128
30 4N39 UDP 0.002081 0.41049 4.52128
31 2IHT TPP 0.02545 0.40142 4.52128
32 3ITJ CIT 0.003827 0.44649 4.78723
33 3KJS DQ1 0.04324 0.40463 4.78723
34 3KJS NAP 0.02786 0.4033 4.78723
35 2J07 FAD 0.03233 0.41779 5.05319
36 2J07 HDF 0.03233 0.41779 5.05319
37 1U08 PLP 0.007428 0.40726 5.05319
38 4RF7 ARG 0.008834 0.40487 5.31915
39 4A1O JLN 0.02066 0.4031 5.31915
40 4GU5 FAD 0.02163 0.40764 5.58511
41 2JLB UDM 0.003264 0.44592 5.85106
42 4C3Y FAD 0.03762 0.40871 5.85106
43 1NP7 FAD 0.02953 0.40201 5.85106
44 2AG5 NAD 0.01767 0.41459 6.91057
45 3OKP GDD 0.002219 0.41789 7.36041
46 3OKA GDD 0.003477 0.42266 7.61155
47 1SW1 PBE 0.01195 0.40807 9.09091
48 2GEK GDP 0.001792 0.43874 10.3723
49 5APG EEM 0.01794 0.40299 13.5135
50 4XSU UDP 0.02599 0.40096 13.5638
51 4XSU GLC 0.02599 0.40096 13.5638
52 5UKL SIX 0.02036 0.40764 14.5161
Pocket No.: 3; Query (leader) PDB : 1F6D; Ligand: UDP; Similar sites found: 23
This union binding pocket(no: 3) in the query (biounit: 1f6d.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PKX XMP 0.01649 0.4064 1.59574
2 4WNK 453 0.01235 0.42122 2.12766
3 1M7Y PPG 0.01466 0.41872 2.12766
4 4WZH FMN 0.02054 0.4061 2.39362
5 4OHU NAD 0.04307 0.41515 2.42215
6 4OHU 2TK 0.04307 0.41515 2.42215
7 1I8T FAD 0.04147 0.40472 2.7248
8 3ORF NAD 0.02356 0.40701 2.78884
9 4WXG 2BO 0.01038 0.4179 3.7234
10 3MJE NDP 0.02744 0.40364 3.7234
11 4EUE NAI 0.03555 0.40133 3.7234
12 3E2Y PMP 0.01187 0.40007 3.7234
13 3NW7 LGV 0.04622 0.40558 3.90879
14 2J4D FAD 0.02679 0.40293 3.98936
15 3B1E P1T 0.01079 0.40425 4.25532
16 3IAA TYD 0.01841 0.40076 4.56731
17 5A6N U7E 0.01357 0.40544 4.59364
18 2VCH UDP 0.0245 0.4049 4.79167
19 5XDT MB3 0.02037 0.4149 5.19481
20 4BG4 ARG 0.01394 0.40484 7.44681
21 4K7O EKZ 0.02634 0.4037 7.7381
22 1GDE GLU PLP 0.01484 0.40357 12.766
23 4JEM C5P 0.01278 0.4085 14.7059
Pocket No.: 4; Query (leader) PDB : 1F6D; Ligand: UDP; 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: 1f6d.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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