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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: 117
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 U 0.78125 0.984615
6 UPU 0.72973 0.940298
7 2KH 0.722222 0.970149
8 44P 0.720588 0.955882
9 UFM 0.717949 0.941176
10 GDU 0.717949 0.941176
11 URM 0.717949 0.927536
12 660 0.717949 0.927536
13 UPG 0.717949 0.941176
14 GUD 0.717949 0.941176
15 UDP UDP 0.714286 0.939394
16 UPP 0.705128 0.941176
17 UDH 0.705128 0.864865
18 U2F 0.691358 0.888889
19 UFG 0.691358 0.888889
20 UPF 0.691358 0.888889
21 UAD 0.670732 0.941176
22 UDX 0.670732 0.941176
23 3UC 0.658824 0.888889
24 USQ 0.654762 0.820513
25 UGB 0.654762 0.955224
26 UGA 0.654762 0.955224
27 G3N 0.647059 0.914286
28 UDM 0.636364 0.914286
29 URI 0.625 0.863636
30 UD1 0.622222 0.927536
31 UD2 0.622222 0.927536
32 Y6W 0.607143 0.888889
33 CDP 0.605263 0.942029
34 HP7 0.591398 0.941176
35 UD7 0.591398 0.927536
36 MJZ 0.585106 0.914286
37 IUG 0.583333 0.810127
38 F5G 0.578947 0.927536
39 12V 0.578947 0.901408
40 HWU 0.578947 0.901408
41 F5P 0.578947 0.914286
42 UD4 0.578947 0.914286
43 CJB 0.573529 0.820895
44 UDZ 0.571429 0.853333
45 DUD 0.571429 0.913043
46 UP5 0.571429 0.853333
47 U U 0.563218 0.955224
48 EPZ 0.56 0.914286
49 5GW 0.559524 0.942029
50 EPU 0.554455 0.901408
51 EEB 0.554455 0.901408
52 U3P 0.547945 0.939394
53 UA3 0.547945 0.939394
54 4TC 0.544554 0.831169
55 HF4 0.54321 0.942029
56 CTP 0.54321 0.942029
57 CSQ 0.531915 0.851351
58 CSV 0.531915 0.851351
59 DUT 0.52439 0.913043
60 4GW 0.516484 0.915493
61 UMA 0.513761 0.914286
62 U4S 0.513158 0.753425
63 U2P 0.506667 0.954545
64 U2S 0.5 0.767123
65 U3S 0.5 0.753425
66 PUP 0.48913 0.913043
67 U21 0.486957 0.810127
68 U20 0.486957 0.810127
69 U22 0.486957 0.790123
70 DKX 0.486486 0.746479
71 U1S 0.482759 0.75
72 A U 0.481132 0.805195
73 2QR 0.478632 0.822785
74 5FU 0.474359 0.914286
75 G U 0.472222 0.7875
76 8OD 0.47191 0.851351
77 C5G 0.468085 0.888889
78 7XL 0.465909 0.888889
79 U U U U 0.461538 0.940298
80 UMF 0.461538 0.857143
81 G8D 0.460674 0.855263
82 UTP U U U 0.456522 0.895522
83 2TU 0.452055 0.774648
84 4RA 0.451613 0.855263
85 C2G 0.450549 0.901408
86 DU 0.45 0.898551
87 UMP 0.45 0.898551
88 C 0.45 0.927536
89 CAR 0.45 0.927536
90 C5P 0.45 0.927536
91 UAG 0.448 0.864865
92 CDC 0.446809 0.777778
93 5BU 0.444444 0.914286
94 UD0 0.444444 0.844156
95 N3E 0.440476 0.733333
96 UC5 0.440476 0.9
97 UUA 0.438356 0.772727
98 DUP 0.431818 0.887324
99 2GW 0.431373 0.901408
100 M7G 0.430108 0.780488
101 CNU 0.428571 0.927536
102 CDM 0.427083 0.842105
103 H6Y 0.425532 0.851351
104 16B 0.421687 0.888889
105 S5P 0.419753 0.915493
106 8GT 0.419355 0.855263
107 CXY 0.418367 0.888889
108 UPA 0.418182 0.842105
109 U2G 0.410714 0.822785
110 U A A U 0.409836 0.842105
111 UML 0.408759 0.810127
112 UP6 0.407407 0.871429
113 M7M 0.40625 0.771084
114 1GW 0.40367 0.864865
115 BMP 0.402439 0.970149
116 APU 0.401786 0.828947
117 PMP UD1 0.401575 0.7875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1F6D; Ligand: UDP; Similar sites found with APoc: 49
This union binding pocket(no: 1) in the query (biounit: 1f6d.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3CB2 GDP 0.797872
2 2H1H AFH 1.79641
3 3Q3H UDP 1.8617
4 3GLC R5P 2.0339
5 1OPK P16 2.12766
6 3VPB ADP 2.12766
7 5KOX RFP 2.65957
8 3OII SAH 2.7668
9 4P5Z Q7M 2.77008
10 4TM3 FAD 2.92553
11 4G5H UD7 3.0303
12 1OFU GDP 3.125
13 5O96 SAM 3.26531
14 4RPL 3UC 3.45745
15 4RPL FAD 3.45745
16 6GWR FEW 3.49206
17 4MKF AP5 3.68664
18 5NV8 TRH 3.84615
19 5K5Z ANP 4.14013
20 5VAD 91Y 4.25532
21 3GDN MXN 4.25532
22 2OO8 RAJ 4.4164
23 4GYW UDP 4.52128
24 5BNW 12V 4.52128
25 4MIB 28M 4.78723
26 4RFM 3P6 4.88722
27 1P7W PRO ALA PRO PHE ALA SER ALA 5.01792
28 2J07 HDF 5.05319
29 2J07 FAD 5.05319
30 4CNG SAH 5.09804
31 4GU5 FAD 5.58511
32 2JLB UDM 5.85106
33 5LP1 71H 6.11702
34 1HTW ADP 6.32911
35 5L0U 660 6.44258
36 2I8T GDD 6.58683
37 1ZIN AP5 6.91244
38 4Z87 GDP 6.91489
39 3OKP GDD 7.36041
40 5G3Y ADP 7.52212
41 3OKA GDD 7.61155
42 5L01 6Z4 11.7021
43 5J6D 6H5 11.7021
44 4ANP 3QI 12.3457
45 5L0S UDP 14.2857
46 2DYR PSC 16.0714
47 2DYS PSC 16.0714
48 5Z84 PSC 16.0714
49 3EWP APR 16.9492
Pocket No.: 2; Query (leader) PDB : 1F6D; Ligand: UDP; Similar sites found with APoc: 96
This union binding pocket(no: 2) in the query (biounit: 1f6d.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4MN3 ACE PHE ALA TYR M3L SER NH2 None
2 4QYS PLP SEP 1.59574
3 2Z9V PXM 1.59574
4 3P3G UKW 2
5 3P3G 3P3 2
6 1U3D FAD 2.12766
7 1RZU ADP 2.12766
8 2IV3 UDP 2.33918
9 2R2N KYN 2.39362
10 2R2N PMP 2.39362
11 5ZM0 FAD 2.39362
12 4DJA DLZ 2.39362
13 4DJA FAD 2.39362
14 4BGB ADP 2.46154
15 3R6U CHT 2.46479
16 5W6Y TRP 2.53165
17 2QTR NXX 2.6455
18 1A99 PUT 2.65957
19 5YLT SFG 2.6616
20 5YLT C7N 2.6616
21 5TA6 79D 2.7933
22 2WTX UDP 2.92553
23 2WTX VDO 2.92553
24 4WBD CIT 2.92553
25 5XVR TRH 2.92553
26 3MJY IJZ 2.92553
27 3MJY FMN 2.92553
28 4FL3 ANP 2.92553
29 1RM0 D6P 3.19149
30 4BHL ARG 3.37079
31 2XOC ADP 3.44828
32 2QZS 250 3.45745
33 2QZS ADP 3.45745
34 2QZS GLC 3.45745
35 1C7O PPG 3.45745
36 2PUL ACP 3.45745
37 2IW1 U2F 3.47594
38 4MFL MFK 3.47826
39 1T0S BML 3.48837
40 2QV7 ADP 3.56083
41 3CV3 UDP 3.7234
42 1TOI HCI 3.7234
43 2ZYJ PGU 3.7234
44 4PQG UDP 3.7234
45 4WXG 2BO 3.7234
46 5VEQ PMP 3.7234
47 3RG9 NDP 3.75
48 4L2I NAD 3.75723
49 5FP3 3JI 4.25532
50 3DLG GWE 4.25532
51 3PNL ADP 4.48179
52 4J7U NAP 4.51389
53 4J7U YTZ 4.51389
54 6MA3 JAJ 4.52128
55 4N3A UDP 4.52128
56 2IHU TP9 4.52128
57 1UPA TPP 4.52128
58 2IHT TPP 4.52128
59 4G86 BNT 4.57746
60 3ITJ CIT 4.78723
61 3KJS DQ1 4.78723
62 1UU1 PMP HSA 4.78723
63 3KJS NAP 4.78723
64 3WB0 FEG 4.81928
65 3TTM PUT 4.91329
66 1NAA 6FA 5.05319
67 1U08 PLP 5.05319
68 6EJI UD2 5.09383
69 5O42 9JW 5.10949
70 5O42 BGC 5.10949
71 5O42 NAD 5.10949
72 3EI9 PL6 5.31915
73 4RF7 ARG 5.31915
74 4A1O JLN 5.31915
75 1GCK ASP PLP 5.58511
76 2HOX P1T 5.58511
77 4C3Y FAD 5.85106
78 1NP7 FAD 5.85106
79 6ECG PM9 5.85106
80 4LRZ ADP 6.60377
81 2AG5 NAD 6.91057
82 5WXK TYD 7.14286
83 4WZA ACP 7.24638
84 4I6G FAD 7.97872
85 1SW1 PBE 9.09091
86 3CRZ NAP 10.1167
87 2GEK GDP 10.3723
88 4B4D FAD 11.1702
89 1NNU TCT 13.1004
90 1NNU NAD 13.1004
91 5APG EEM 13.5135
92 4XSU UDP 13.5638
93 4XSU GLC 13.5638
94 5UKL SIX 14.5161
95 3MYZ TFX 16
96 5XVS UDP 43.3511
Pocket No.: 3; Query (leader) PDB : 1F6D; Ligand: UDP; Similar sites found with APoc: 39
This union binding pocket(no: 3) in the query (biounit: 1f6d.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3JU6 ARG 1.35135
2 5UY8 AMZ 1.59574
3 1DUV PSQ 1.8018
4 3HDY GDU 1.8617
5 3U6W KIV 1.8617
6 3WW2 SF9 1.95312
7 2ZC0 PMP 2.12766
8 4WNK 453 2.12766
9 1M7Y PPG 2.12766
10 4O1M NAD 2.22222
11 4XXH T6P 2.35294
12 4ARU TLA 2.39362
13 4WZH FMN 2.39362
14 4OHU 2TK 2.42215
15 4OHU NAD 2.42215
16 1I8T FAD 2.7248
17 3ORF NAD 2.78884
18 3C3N FMN 2.92553
19 4CDN FAD 3.19149
20 5BVE 4VG 3.3241
21 4EUE NAI 3.7234
22 3NW7 LGV 3.90879
23 2J4D FAD 3.98936
24 4AZJ SEP PLP 4.44444
25 4PFT MAB 4.52128
26 3IAA TYD 4.56731
27 5A6N U7E 4.59364
28 3VSV XYP 4.78723
29 2VCH UDP 4.79167
30 5XDT MB3 5.19481
31 3BP1 GUN 6.11702
32 4BG4 ARG 7.44681
33 4K7O EKZ 7.7381
34 3A4V PYR 8.24468
35 3A4V NAD 8.24468
36 1MID LAP 10.989
37 1GDE GLU PLP 12.766
38 4JEM C5P 14.7059
39 5XVS NAG 43.3511
Pocket No.: 4; Query (leader) PDB : 1F6D; Ligand: UDP; Similar sites found with APoc: 51
This union binding pocket(no: 4) in the query (biounit: 1f6d.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1UJ2 C5P 1.5873
2 1UJ2 ADP 1.5873
3 1J39 UPG 1.7094
4 4I42 1HA 1.75439
5 4M52 M52 1.8617
6 3FAL LO2 2.06612
7 12AS AMP 2.12121
8 6EKZ SNP 2.13415
9 4JWH SAH 2.23642
10 1NVM NAD 2.31884
11 4WCX SAM 2.39362
12 4QIJ 1HA 2.39521
13 1KPG 16A 2.43902
14 1G0N NDP 2.4735
15 1G0N PHH 2.4735
16 4NFE BEN 2.53165
17 4I4Z 2NE 2.54545
18 4I6H 1C8 2.92208
19 4IOK ADP 2.92553
20 1G2N EPH 3.40909
21 4U03 TLL 3.45745
22 4U03 GTP 3.45745
23 1VR0 3SL 3.64372
24 3DCM SAM 3.64583
25 5K7K 6RJ 3.7234
26 4JWJ SAH 3.9604
27 1RPN GDP 4.1791
28 5OMY 9YE 4.25532
29 3RHZ UDP 4.25532
30 1DUG GSH 4.70085
31 3PE2 E1B 4.74777
32 4CNE SAH 4.86891
33 1Q0R AKT 5.03356
34 4ITM ATP 5.07937
35 3CIF NAD 5.29248
36 1DSS NAD 5.70571
37 1DNP FAD 6.11702
38 5ECP ATP 6.27803
39 5UC1 486 6.30631
40 4JNE ATP 6.38298
41 4N65 AQN 6.60377
42 4N65 FMN 6.60377
43 3KRU FMN 6.70554
44 4K33 ACP 6.76923
45 2FR6 CTN 6.84932
46 1RHC F42 ACN 7.27273
47 6GUE FB8 8.58209
48 4K49 HFQ 10.2941
49 5LNQ CAA 10.3723
50 3GYQ SAM 11.3971
51 5H5F SAM 11.5385
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