Receptor
PDB id Resolution Class Description Source Keywords
5ENZ 1.91 Å EC: 5.1.3.14 S. AUREUS MNAA-UDP CO-STRUCTURE STAPHYLOCOCCUS AUREUS SUGAR-NUCLEOTIDE EPIMERASE ROSSMANN FOLD TWO DOMAINS GLYCPHOSPHORYLASE SUPERFAMILY UDP DIMER ISOMERASE
Ref.: CHEMICAL GENETIC ANALYSIS AND FUNCTIONAL CHARACTERI STAPHYLOCOCCAL WALL TEICHOIC ACID 2-EPIMERASES REVE UNCONVENTIONAL ANTIBIOTIC DRUG TARGETS. PLOS PATHOG. V. 12 05585 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:402;
B:403;
B:402;
B:404;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
UDP B:401;
A:401;
Valid;
Valid;
none;
none;
submit data
404.161 C9 H14 N2 O12 P2 C1=CN...
TRS A:403;
B:405;
Invalid;
Invalid;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
PG4 A:404;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ENZ 1.91 Å EC: 5.1.3.14 S. AUREUS MNAA-UDP CO-STRUCTURE STAPHYLOCOCCUS AUREUS SUGAR-NUCLEOTIDE EPIMERASE ROSSMANN FOLD TWO DOMAINS GLYCPHOSPHORYLASE SUPERFAMILY UDP DIMER ISOMERASE
Ref.: CHEMICAL GENETIC ANALYSIS AND FUNCTIONAL CHARACTERI STAPHYLOCOCCAL WALL TEICHOIC ACID 2-EPIMERASES REVE UNCONVENTIONAL ANTIBIOTIC DRUG TARGETS. PLOS PATHOG. V. 12 05585 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5ENZ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5ENZ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 3BEO - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5ENZ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 3BEO - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 4NES - 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 : 5ENZ; Ligand: UDP; Similar sites found: 46
This union binding pocket(no: 1) in the query (biounit: 5enz.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WNK 453 0.006611 0.41904 1.2987
2 4RF7 ARG 0.002598 0.45439 1.55844
3 4GYW UDP 0.008043 0.41891 1.55844
4 5BNW 12V 0.01042 0.41482 1.55844
5 4N39 UDP 0.003254 0.41188 1.55844
6 4N3A UDP 0.009661 0.41145 1.55844
7 5LWV UDP 0.009461 0.41053 1.55844
8 4Q9M FPP 0.01752 0.40311 1.62602
9 3HDY FAD 0.0169 0.42711 1.81818
10 3HDY FDA 0.017 0.42698 1.81818
11 3HBF UDP 0.002798 0.42308 1.81818
12 2JLB UDM 0.006708 0.41452 1.81818
13 3HDY GDU 0.04942 0.40287 1.81818
14 5BR7 FAD 0.01912 0.42379 2.33766
15 5BR7 FLC 0.02628 0.41681 2.33766
16 5TA6 79D 0.00929 0.40952 2.51397
17 3RI1 3RH 0.00589 0.41708 2.55591
18 4YZC STU 0.002793 0.444 2.5974
19 3GF4 FAD 0.02554 0.41356 2.5974
20 3GF4 UPG 0.03246 0.41031 2.5974
21 2WTX VDO 0.006044 0.42932 3.11688
22 2IYA UDP 0.005726 0.40546 3.11688
23 2WTX UDP 0.02085 0.40175 3.11688
24 2GEK GDP 0.002419 0.40681 3.8961
25 1GCK ASP PLP 0.008812 0.40104 3.8961
26 3CV3 UDP 0.003988 0.41232 3.94089
27 3RSC TYD 0.005306 0.4126 4.15584
28 4GU5 FAD 0.008928 0.41169 4.15584
29 3IAA TYD 0.005172 0.41128 4.15584
30 2VCH UDP 0.004891 0.42368 4.41558
31 5IH9 6BF 0.01081 0.4152 4.47761
32 3UBM COA 0.01146 0.40394 4.67532
33 4RPL 3UC 0.04464 0.40796 5.19481
34 3OTI TYD 0.005506 0.41189 5.71429
35 4EUU BX7 0.01043 0.40579 6.26959
36 4YZN 4K5 0.008006 0.40634 6.62021
37 1DQS CRB 0.04408 0.41515 7.27273
38 1DQS NAD 0.01457 0.41515 7.27273
39 4F97 VDO 0.008226 0.41193 8.2495
40 4F97 GDP 0.001206 0.41093 8.2495
41 4XSU UDP 0.01264 0.402 8.31169
42 4C3Y FAD 0.03069 0.40043 9.35065
43 3PVW QRX 0.002721 0.43231 12.1622
44 3OTH CLJ 0.01115 0.42167 12.7273
45 3OTH TYD 0.002269 0.41882 12.7273
46 5UKL SIX 0.01071 0.40669 14.5161
Pocket No.: 2; Query (leader) PDB : 5ENZ; Ligand: UDP; 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: 5enz.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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