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Receptor
PDB id Resolution Class Description Source Keywords
4GYW 1.7 Å EC: 2.4.1.255 CRYSTAL STRUCTURE OF HUMAN O-GLCNAC TRANSFERASE IN COMPLEX W AND A GLYCOPEPTIDE HOMO SAPIENS GT-B GLYCOSYLTRANSFERASE GLCNACYLATION TRANSFERASE-PEPTID
Ref.: STRUCTURAL SNAPSHOTS OF THE REACTION COORDINATE FOR TRANSFERASE. NAT.CHEM.BIOL. V. 8 966 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG B:101;
D:101;
Part of Protein;
Part of Protein;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
SO4 A:1102;
B:102;
D:102;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
UDP A:1101;
C:1101;
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
4GYW 1.7 Å EC: 2.4.1.255 CRYSTAL STRUCTURE OF HUMAN O-GLCNAC TRANSFERASE IN COMPLEX W AND A GLYCOPEPTIDE HOMO SAPIENS GT-B GLYCOSYLTRANSFERASE GLCNACYLATION TRANSFERASE-PEPTID
Ref.: STRUCTURAL SNAPSHOTS OF THE REACTION COORDINATE FOR TRANSFERASE. NAT.CHEM.BIOL. V. 8 966 2012
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5HGV - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 4GYY - 12V C17 H27 N3 O16 P2 S CC(=O)N[C@....
3 3TAX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 4GZ3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 3PE4 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 4GYW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 5VIF - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5HGV - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 4GYY - 12V C17 H27 N3 O16 P2 S CC(=O)N[C@....
3 3TAX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 4GZ3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 3PE4 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 4GYW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 5VIF - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5HGV - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 4GYY - 12V C17 H27 N3 O16 P2 S CC(=O)N[C@....
3 3TAX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 4GZ3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 3PE4 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 4GYW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 5VIF - 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 : 4GYW; Ligand: UDP; Similar sites found with APoc: 104
This union binding pocket(no: 1) in the query (biounit: 4gyw.bio4) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 5ENZ UDP 1.55844
2 4ARE FLC 1.58273
3 2F5X ASP 1.60256
4 1US2 XYP XYP XYP XYP 1.69811
5 6GN6 MAL 2.01342
6 1T9D PYD 2.06795
7 2HHP FLC 2.07547
8 1U26 IHS 2.07715
9 2FAH MLA 2.13816
10 4PQG UDP 2.15264
11 3TDC 0EU 2.213
12 1VPE 3PG 2.26131
13 5F06 GSH 2.31481
14 4XCP PLM 2.35294
15 4NES UDP 2.40642
16 3JU6 ARG 2.43243
17 2ACV UDP 2.59179
18 4FXQ G9L 2.6087
19 1RZU ADP 2.68041
20 3GD8 GOL 2.69058
21 2O1V ADP 2.7027
22 2GEK GDP 2.70936
23 5J32 IPM 2.72953
24 1XV5 UDP 2.74314
25 4X7R UDP 2.83976
26 4LOC OXM 2.8481
27 6BE0 COA 2.98013
28 1I7E IBS 3.01887
29 5LNE A2G GAL 3.04878
30 2R8Q IBM 3.06407
31 1YQT ADP 3.15985
32 4V1F BQ1 3.48837
33 3ITJ CIT 3.5503
34 5IFK HPA 3.84615
35 5XVR TRH 3.90625
36 4YJK URA 3.96825
37 2PS1 ORO 3.9823
38 2BO4 FLC 4.03023
39 1QVJ RP5 4.10959
40 5CX6 CDP 4.11348
41 4X1T UDP 4.16667
42 5M6N 7H9 4.23729
43 4ORM 2V6 4.2394
44 4ORM ORO 4.2394
45 4ORM FMN 4.2394
46 1BYG STU 4.31655
47 4XSU UDP 4.38144
48 4XSU GLC 4.38144
49 4XJ7 ADE 4.49438
50 1F6D UDP 4.52128
51 2P9T 3PG 4.56731
52 5OKT 9XK 4.77707
53 3Q3H UDP 4.91284
54 5N53 8NB 5.12821
55 2GZM DGL 5.24345
56 1RRV TYD 5.28846
57 1YC4 43P 5.30303
58 3OTH TYD 5.33981
59 4ZES MMA 5.44218
60 5URY PAM 5.47945
61 1RV0 NDG 5.625
62 3CV3 UDP 5.66502
63 2G2Y MLI 5.84416
64 3UWB BB2 5.84416
65 5FIT AP2 6.12245
66 5NV8 TRH 6.66667
67 1A05 IPM 6.70391
68 1SZ0 M6P 7.17593
69 4WGF HX2 7.31707
70 3OKP GDD 7.86802
71 1ZUW DGL 8.08823
72 3KPB SAM 8.19672
73 2VSL MAA LYS PRO PHE 8.33333
74 3R7F CP 8.55263
75 2B99 RDL 9.61539
76 1LNX URI 9.87654
77 2WBV SIA 10.582
78 6C99 EQY 11.1111
79 5VX9 FUC GAL NAG GAL BGC 11.1801
80 3UW5 MAA CHG PRO 0DQ 11.2069
81 4OX5 DAL 11.2299
82 5WXK TYD 11.4286
83 4RI6 GSH 11.6279
84 3ALT MLB 12.1019
85 5XVS UDP 12.4011
86 5INJ TRP 12.8395
87 1NLM UD1 12.9121
88 5NC1 NAG 13.5021
89 3GUZ PAF 13.6364
90 3RHZ UDP 13.8643
91 1T0S BML 13.9535
92 2JLB UDM 17.7817
93 5F7J ADE 18.75
94 3OKA GDD 19.0476
95 4KSY 1SY 20.6612
96 3BEO UDP 28.5714
97 4W9F 3JU 32.716
98 5H06 MAL 35.7143
99 4RDL FUC GAL NDG FUC 35.7143
100 2ZUX RAM 35.7143
101 1NE7 16G 42.8571
102 2CUN 3PG 42.8571
103 1Y79 LYS TRP 42.8571
104 1K3A ACP 42.8571
105 6BK3 UDP 50
Pocket No.: 2; Query (leader) PDB : 4GYW; 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: 4gyw.bio4) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4GYW; Ligand: UDP; Similar sites found with APoc: 4
This union binding pocket(no: 3) in the query (biounit: 4gyw.bio2) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 2P4S DIH 1.87668
2 3K0T BGC 11.8881
3 5N1Q COM 12.6437
4 2AR6 NAG MAN 13.8889
Pocket No.: 4; Query (leader) PDB : 4GYW; Ligand: UDP; Similar sites found with APoc: 16
This union binding pocket(no: 4) in the query (biounit: 4gyw.bio3) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 5YV5 ADP 3.17164
2 5WYF ILP 3.24675
3 1IR3 ANP 3.26797
4 5WS9 ATP 3.36842
5 2VCN ISZ 4.21456
6 2F7A CCU 4.74138
7 2YIV NBN 5.39419
8 4IV9 TSR 5.56553
9 4BQS K2Q 5.68182
10 1KJ1 MAN 7.33945
11 4JGT PYR 7.35786
12 1BG2 ADP 7.69231
13 3AB4 THR 9.55056
14 5IKB KAI 11.284
15 4BKS X6C 32.716
16 3SQG COM 35.7143
Pocket No.: 5; Query (leader) PDB : 4GYW; 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: 5) in the query (biounit: 4gyw.bio3) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4GYW; 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: 6) in the query (biounit: 4gyw.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
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