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Receptor
PDB id Resolution Class Description Source Keywords
3RHZ 1.9 Å EC: 7.-.-.- STRUCTURE AND FUNCTIONAL ANALYSIS OF A NEW SUBFAMILY OF GLYCOSYLTRANSFERASES REQUIRED FOR GLYCOSYLATION OF SERINE-RS TREPTOCOCCAL ADHESIONS STREPTOCOCCUS PARASANGUINIS GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF A NEW SUBFAMI GLYCOSYLTRANSFERASES REQUIRED FOR GLYCOSYLATION OF SERINE-RICH STREPTOCOCCAL ADHESINS. J.BIOL.CHEM. V. 286 27048 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:330;
Invalid;
none;
submit data
35.453 Cl [Cl-]
UDP A:7517;
B:7517;
Valid;
Valid;
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
3RHZ 1.9 Å EC: 7.-.-.- STRUCTURE AND FUNCTIONAL ANALYSIS OF A NEW SUBFAMILY OF GLYCOSYLTRANSFERASES REQUIRED FOR GLYCOSYLATION OF SERINE-RS TREPTOCOCCAL ADHESIONS STREPTOCOCCUS PARASANGUINIS GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF A NEW SUBFAMI GLYCOSYLTRANSFERASES REQUIRED FOR GLYCOSYLATION OF SERINE-RICH STREPTOCOCCAL ADHESINS. J.BIOL.CHEM. V. 286 27048 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 3RHZ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 3QKW - 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 250 families.
1 3RHZ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 3QKW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 3RHZ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 3QKW - 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 : 3RHZ; Ligand: UDP; Similar sites found with APoc: 52
This union binding pocket(no: 1) in the query (biounit: 3rhz.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3E3U NVC None
2 5KK4 44E None
3 4X7R UDP 1.76991
4 4X7R 3YW 1.76991
5 4X7R NTO 1.76991
6 3BY9 SIN 1.92308
7 3OKP GDD 2.35988
8 3Q3H UDP 2.35988
9 3OKA GDD 2.35988
10 2IV3 UDP 2.35988
11 5NV8 TRH 2.35988
12 2ZUX RAM 2.65487
13 1SQL GUN 2.73973
14 3CV3 UDP 2.94985
15 3UG4 AHR 3.24484
16 2QLU ADE 3.50318
17 5VLQ ANP 3.53982
18 4XSU UDP 3.83481
19 2IW1 U2F 3.83481
20 4XSU GLC 3.83481
21 3FXU TSU 3.93443
22 2QZS ADP 4.42478
23 2QZS 250 4.42478
24 2QZS GLC 4.42478
25 6GNF ADP 4.42478
26 6EOM ALA LYS 4.42478
27 4ARU TLA 4.71976
28 4PQG UDP 4.71976
29 5XVR TRH 4.71976
30 2WTX VDO 5.06329
31 2WTX UDP 5.06329
32 3GDN MXN 5.60472
33 3FPF TNA 5.7047
34 3FPF MTA 5.7047
35 4JGP PYR 5.99078
36 1J39 UPG 6.19469
37 6BK3 UDP 7.07965
38 2WTN FER 7.56972
39 4LHD GLY 7.66962
40 1MAI I3P 8.39695
41 6EJI UD2 10.3245
42 1DKU AP2 10.4101
43 1DCP HBI 10.5769
44 2JLB UDM 11.5044
45 5BNW 12V 13.8643
46 4GYW UDP 13.8643
47 4N3A UDP 13.8643
48 3LQV ADE 15.3846
49 2GEK GDP 15.9292
50 5W97 CHD 18.3673
51 5ZCO CHD 18.3673
52 5YX4 HCC 18.5345
Pocket No.: 2; Query (leader) PDB : 3RHZ; Ligand: UDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3rhz.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3RHZ; Ligand: UDP; Similar sites found with APoc: 14
This union binding pocket(no: 3) in the query (biounit: 3rhz.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4BQS ADP 1.70455
2 1QNF HDF 1.76991
3 4F4P 0SB 2.5641
4 2J07 FAD 2.65487
5 2J07 HDF 2.65487
6 1RZU ADP 2.94985
7 1F6D UDP 4.25532
8 1RDL MMA 4.42478
9 4OJP MAL 5.30973
10 2RIF AMP 9.92908
11 5N5S NAP 11.2094
12 6EKZ SNP 13.1098
13 6MA3 JAJ 13.8643
14 5WXK TYD 27.1429
Pocket No.: 4; Query (leader) PDB : 3RHZ; Ligand: UDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3rhz.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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