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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: 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 : 5ENZ; Ligand: UDP; Similar sites found with APoc: 119
This union binding pocket(no: 1) in the query (biounit: 5enz.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1VR0 3SL 0.809717
2 4WNK 453 1.2987
3 5DOZ NDP 1.47929
4 4RF7 ARG 1.55844
5 5VEQ PMP 1.55844
6 6MA3 JAJ 1.55844
7 4GYW UDP 1.55844
8 5BNW 12V 1.55844
9 4N3A UDP 1.55844
10 4X1T UDP 1.55844
11 5W6Y TRP 1.58228
12 4Q9M FPP 1.62602
13 5BVE 4VG 1.66205
14 1IUP ALQ 1.77305
15 3HDY FAD 1.81818
16 3HDY GDU 1.81818
17 3HDY FDA 1.81818
18 2JLB UDM 1.81818
19 3HBF UDP 1.81818
20 5B0I BOG 1.81818
21 2QX0 PH2 1.88679
22 3AQT RCO 2.04082
23 3FSY SCA 2.10843
24 2YFB SIN 2.32558
25 1GET NAP 2.33766
26 2HY0 306 2.48447
27 5TA6 79D 2.51397
28 3RI1 3RH 2.55591
29 4YZC STU 2.5974
30 3GF4 FAD 2.5974
31 1U08 PLP 2.5974
32 3GF4 UPG 2.5974
33 5NV8 TRH 2.5974
34 5J6D 6H5 2.60586
35 2XOC ADP 2.68199
36 2G30 ALA ALA PHE 2.71318
37 4IDT T28 2.80899
38 5LXM ADP 2.82686
39 5CQG 55C 2.85714
40 2VN9 GVD 2.85714
41 5AX9 4KT 2.92208
42 4BHL ARG 3.08989
43 2WTX VDO 3.11688
44 2IYA UDP 3.11688
45 2WTX UDP 3.11688
46 2IYF UDP 3.37662
47 3BP1 GUN 3.44828
48 1OAA OAA 3.4749
49 2RIF AMP 3.5461
50 6BK3 UDP 3.63636
51 2GEK GDP 3.8961
52 1GCK ASP PLP 3.8961
53 2VK2 GZL 3.92157
54 3CV3 UDP 3.94089
55 3RSC TYD 4.15584
56 4GU5 FAD 4.15584
57 3IAA TYD 4.15584
58 4K7O EKZ 4.16667
59 2VCH UDP 4.41558
60 4Z87 GDP 4.41558
61 3ITJ CIT 4.43787
62 5H4S RAM 4.57746
63 3UBM COA 4.67532
64 2F2U M77 4.67532
65 3BF8 MLA 4.70588
66 2YIV YIV 4.87805
67 4WBD CIT 5.19481
68 4RPL FAD 5.19481
69 4RPL 3UC 5.19481
70 5XVR TRH 5.20833
71 4G86 BNT 5.28169
72 4XFR CIT 5.45455
73 4NFE BEN 5.48523
74 4WHZ 3NL 5.71429
75 3OTI TYD 5.71429
76 6AC9 ANP 5.94595
77 3KP6 SAL 5.96026
78 3GDN MXN 5.97403
79 2WEL K88 6
80 1LTZ HBI 6.06061
81 3PTG 932 6.06061
82 6CZY PMP 6.07735
83 3JU6 ARG 6.21622
84 3Q3H UDP 6.23377
85 4EUU BX7 6.26959
86 5FH7 5XL 6.45161
87 4YZN 4K5 6.62021
88 1T0S BML 7.01299
89 1DQS CRB 7.27273
90 1DQS NAD 7.27273
91 3LQV ADE 7.69231
92 4RIF 3R2 8.17942
93 4F97 VDO 8.2495
94 4F97 GDP 8.2495
95 4XSU UDP 8.31169
96 2YAB AMP 9.09091
97 5ZM0 FAD 9.35065
98 4C3Y FAD 9.35065
99 2RAB NAD 9.61039
100 1ZX5 LFR 9.66667
101 2XRH NIO 10
102 5U97 PIT 10.1299
103 1JPA ANP 10.2564
104 2GK6 ADP 10.6494
105 3PVW QRX 12.1622
106 3OTH CLJ 12.7273
107 3OTH TYD 12.7273
108 3OKP GDD 13.198
109 5WXK TYD 14.2857
110 5UKL SIX 14.5161
111 1ML4 PAL 14.9351
112 3WW2 SF9 15.2344
113 6HL7 CP 18.3908
114 1UO5 PIH 20.5882
115 1UO4 PIH 20.5882
116 1MID LAP 21.978
117 3OKA GDD 23.8095
118 5XVS UDP 46.1741
119 5XVS NAG 46.1741
Pocket No.: 2; Query (leader) PDB : 5ENZ; Ligand: UDP; Similar sites found with APoc: 104
This union binding pocket(no: 2) in the query (biounit: 5enz.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5LI1 ANP 1.69492
2 5FP3 3JI 1.81818
3 3U6W KIV 2.07792
4 4DJA FAD 2.07792
5 4DJA DLZ 2.07792
6 4FG8 ATP 2.22222
7 3OIX FMN 2.31884
8 2J07 HDF 2.33766
9 2J07 FAD 2.33766
10 3F3E LEU 2.33766
11 2C29 DQH 2.37389
12 2C29 NAP 2.37389
13 1O5R FR9 2.52809
14 5JKG 6LF 2.57235
15 1GPM CIT 2.5974
16 3OVR 5SP 2.63158
17 1UU1 PMP HSA 2.68657
18 3FC2 IBI 2.68657
19 4MO2 FAD 2.71739
20 4MO2 FDA 2.71739
21 5XVG 8FX 2.73038
22 5Z75 NAD 2.75229
23 1NP7 FAD 2.85714
24 4USF 6UI 2.96053
25 2QV6 GTP 2.98507
26 3P3G 3P3 3
27 3P3G UKW 3
28 5DMZ ADP 3.0137
29 1TKB N1T 3.11688
30 4L2I NAD 3.17919
31 5APG EEM 3.24324
32 4G6I RS3 3.33333
33 2Z9V PXM 3.37662
34 3EI9 PL6 3.37662
35 1KBI PYR 3.37662
36 1KBI FMN 3.37662
37 5FM0 WAQ 3.46154
38 4J7U NAP 3.47222
39 4J7U YTZ 3.47222
40 2R5N TPP 3.63636
41 3ZS7 ATP 3.66667
42 2H1H AFH 3.89222
43 6EOM ALA LYS 4.15584
44 3RG9 NDP 4.16667
45 2IHU TP9 4.18848
46 2I8T GDD 4.19162
47 3CRZ NAP 4.28016
48 5IH9 6BF 4.47761
49 3R6U CHT 4.57746
50 3V8S 0HD 4.67532
51 4RKC PMP 4.67532
52 5O22 C3R 4.84429
53 2ZC0 PMP 4.93506
54 3FAL LO2 4.95868
55 1QNF HDF 5.19481
56 1QNF FAD 5.19481
57 4PQG UDP 5.19481
58 2AG5 NAD 5.28455
59 2XTS MTE 5.36585
60 5UY8 AMZ 5.45455
61 5XDT MB3 5.51948
62 4KBS PX2 5.5814
63 2ZYJ PGU 5.71429
64 6AM8 PLT 5.71429
65 5L4R CPT 5.7971
66 5J5R IMP 5.97403
67 5J5R 6G1 5.97403
68 6DIO NAD 6.23377
69 2FLI DX5 6.36364
70 1U3D FAD 6.49351
71 3S2U UD1 6.57534
72 2JKG PRO PRO PRO PRO PRO PRO PRO PRO 6.70391
73 1I8T FAD 6.81199
74 3FSM 2NC 6.89655
75 5O96 SAM 6.93878
76 4I4B NAD 7.27273
77 2J0W ASP 7.27273
78 2FZH DH1 7.28155
79 4ANP 3QI 7.71605
80 4I6G FAD 8.31169
81 4XSU GLC 8.31169
82 3KJS NAP 8.31169
83 4KXL 6C6 8.55263
84 2TPL HPP 8.57143
85 2J4D FAD 8.83117
86 2YAK OSV 9.47368
87 4WAS NAP 10.7143
88 4MN3 ACE PHE ALA TYR M3L SER NH2 10.7143
89 3DNT ATP 10.9091
90 1C7O PPG 10.9091
91 5O4J PJL 10.9489
92 5O4J SAH 10.9489
93 3C3N FMN 11.2179
94 2AE2 PTO 12.3077
95 2AE2 NAP 12.3077
96 4OHU NAD 15.2249
97 4OHU 2TK 15.2249
98 4JEM C5P 15.2941
99 3WMX NAD 16.2011
100 5A6N U7E 16.6078
101 3IPQ 965 24
102 1IDA 0PO 29.2929
103 1NNU TCT 46.6667
104 1NNU NAD 46.6667
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