Receptor
PDB id Resolution Class Description Source Keywords
6BSW 2.16 Å EC: 2.4.2.39 CRYSTAL STRUCTURE OF XYLOGLUCAN XYLOSYLTRANSFERASE 1 TERNARY ARABIDOPSIS THALIANA XYLOGLUCAN XYLOSYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURE OF XYLOGLUCAN XYLOSYLTRANSFERASE 1 REVEAL STERIC RULES THAT DEFINE BIOLOGICAL PATTERNS OF XYL POLYMERS. PROC. NATL. ACAD. SCI. V. 115 6064 2018 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:501;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
NO3 B:503;
Invalid;
none;
submit data
62.005 N O3 [N+](...
UDP B:502;
A:502;
Valid;
Valid;
none;
none;
submit data
404.161 C9 H14 N2 O12 P2 C1=CN...
TRS B:504;
A:505;
Invalid;
Invalid;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
GOL A:504;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
BGC BGC BGC BGC BGC BGC C:1;
Valid;
none;
submit data
990.861 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6BSW 2.16 Å EC: 2.4.2.39 CRYSTAL STRUCTURE OF XYLOGLUCAN XYLOSYLTRANSFERASE 1 TERNARY ARABIDOPSIS THALIANA XYLOGLUCAN XYLOSYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURE OF XYLOGLUCAN XYLOSYLTRANSFERASE 1 REVEAL STERIC RULES THAT DEFINE BIOLOGICAL PATTERNS OF XYL POLYMERS. PROC. NATL. ACAD. SCI. V. 115 6064 2018 U.S.A.
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6BSW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 6BSV - 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 1 families.
1 6BSW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 6BSV - 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 1 families.
1 6BSW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 6BSV - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UDP; Similar ligands found: 122
No: Ligand ECFP6 Tc MDL keys Tc
1 UDP 1 1
2 UTP 0.892308 1
3 U5F 0.878788 1
4 UNP 0.8 0.970149
5 U5P 0.78125 0.984615
6 U 0.78125 0.984615
7 UPU 0.72973 0.940298
8 2KH 0.722222 0.970149
9 44P 0.720588 0.955882
10 GUD 0.717949 0.941176
11 UPG 0.717949 0.941176
12 URM 0.717949 0.927536
13 UFM 0.717949 0.941176
14 GDU 0.717949 0.941176
15 660 0.717949 0.927536
16 UDP UDP 0.714286 0.939394
17 UPP 0.705128 0.941176
18 UDH 0.705128 0.864865
19 UFG 0.691358 0.888889
20 UPF 0.691358 0.888889
21 U2F 0.691358 0.888889
22 UAD 0.670732 0.941176
23 UDX 0.670732 0.941176
24 3UC 0.658824 0.888889
25 USQ 0.654762 0.820513
26 UGA 0.654762 0.955224
27 UGB 0.654762 0.955224
28 G3N 0.647059 0.914286
29 UDM 0.636364 0.914286
30 URI 0.625 0.863636
31 UD2 0.622222 0.927536
32 UD1 0.622222 0.927536
33 Y6W 0.607143 0.888889
34 CDP 0.605263 0.942029
35 HP7 0.591398 0.941176
36 UD7 0.591398 0.927536
37 MJZ 0.585106 0.914286
38 IUG 0.583333 0.810127
39 F5G 0.578947 0.927536
40 12V 0.578947 0.901408
41 UD4 0.578947 0.914286
42 F5P 0.578947 0.914286
43 HWU 0.578947 0.901408
44 CJB 0.573529 0.820895
45 UDZ 0.571429 0.853333
46 DUD 0.571429 0.913043
47 UP5 0.571429 0.853333
48 U U 0.563218 0.955224
49 EPZ 0.56 0.914286
50 5GW 0.559524 0.942029
51 EPU 0.554455 0.901408
52 EEB 0.554455 0.901408
53 UA3 0.547945 0.939394
54 U3P 0.547945 0.939394
55 4TC 0.544554 0.831169
56 HF4 0.54321 0.942029
57 CTP 0.54321 0.942029
58 CSQ 0.531915 0.851351
59 CSV 0.531915 0.851351
60 DUT 0.52439 0.913043
61 4GW 0.516484 0.915493
62 UMA 0.513761 0.914286
63 U4S 0.513158 0.753425
64 U2P 0.506667 0.954545
65 U2S 0.5 0.767123
66 U3S 0.5 0.753425
67 PUP 0.48913 0.913043
68 U22 0.486957 0.790123
69 U20 0.486957 0.810127
70 U21 0.486957 0.810127
71 DKX 0.486486 0.746479
72 0RC 0.482759 0.864865
73 U1S 0.482759 0.75
74 A U 0.481132 0.805195
75 2QR 0.478632 0.822785
76 5FU 0.474359 0.914286
77 LSU 0.472527 0.738095
78 G U 0.472222 0.7875
79 8OD 0.47191 0.851351
80 C5G 0.468085 0.888889
81 7XL 0.465909 0.888889
82 UMF 0.461538 0.857143
83 U U U U 0.461538 0.940298
84 G8D 0.460674 0.855263
85 2TM 0.45977 0.902778
86 UTP U U U 0.456522 0.895522
87 YSU 0.453608 0.746988
88 2TU 0.452055 0.774648
89 4RA 0.451613 0.855263
90 C2G 0.450549 0.901408
91 UMP 0.45 0.898551
92 CAR 0.45 0.927536
93 C 0.45 0.927536
94 DU 0.45 0.898551
95 C5P 0.45 0.927536
96 UAG 0.448 0.864865
97 CDC 0.446809 0.777778
98 5BU 0.444444 0.914286
99 UD0 0.444444 0.844156
100 UC5 0.440476 0.9
101 N3E 0.440476 0.733333
102 UUA 0.438356 0.772727
103 DUP 0.431818 0.887324
104 2GW 0.431373 0.901408
105 M7G 0.430108 0.780488
106 CNU 0.428571 0.927536
107 CDM 0.427083 0.842105
108 H6Y 0.425532 0.851351
109 16B 0.421687 0.888889
110 S5P 0.419753 0.915493
111 8GT 0.419355 0.855263
112 CXY 0.418367 0.888889
113 UPA 0.418182 0.842105
114 U2G 0.410714 0.822785
115 U A A U 0.409836 0.842105
116 UML 0.408759 0.810127
117 UP6 0.407407 0.871429
118 M7M 0.40625 0.771084
119 1GW 0.40367 0.864865
120 BMP 0.402439 0.970149
121 APU 0.401786 0.828947
122 PMP UD1 0.401575 0.7875
Ligand no: 2; Ligand: BGC BGC BGC BGC BGC BGC; Similar ligands found: 231
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC 1 1
2 BGC BGC BGC GLC BGC BGC 1 1
3 GLC GLC GLC GLC 1 1
4 GLC GLC BGC 1 1
5 BGC BGC BGC BGC BGC BGC 1 1
6 GLC BGC BGC BGC BGC BGC BGC 1 1
7 NGR 0.888889 1
8 MAN GLC 0.888889 1
9 GLC BGC 0.888889 1
10 M3M 0.888889 1
11 GLC GLC 0.888889 1
12 GLA GAL 0.888889 1
13 GLA GLA 0.888889 1
14 LB2 0.888889 1
15 P3M 0.754386 0.767442
16 GLA GAL GAL 0.709091 1
17 BMA MAN MAN MAN 0.696429 1
18 BGC BGC BGC BGC BGC BGC BGC BGC 0.689655 1
19 NAG GAL GAL NAG GAL 0.647059 0.6875
20 MAN MMA 0.641509 0.942857
21 MDM 0.641509 0.942857
22 M13 0.641509 0.942857
23 GAL MBG 0.641509 0.942857
24 MAN BMA MAN 0.627119 1
25 MAN MAN MAN 0.627119 1
26 MAN MAN MAN GLC 0.622951 1
27 M5S 0.619048 1
28 MAN BMA MAN MAN MAN 0.619048 1
29 GAL GAL SO4 0.606557 0.66
30 BMA MAN 0.584906 1
31 2M4 0.584906 1
32 BGC GLC 0.584906 1
33 BQZ 0.58 0.909091
34 CGC 0.576271 0.941176
35 MAN BMA NAG 0.575758 0.733333
36 GLA GAL NAG 0.575758 0.733333
37 GAL BGC 0.545455 1
38 MAL 0.545455 1
39 B2G 0.545455 1
40 CBK 0.545455 1
41 BGC BMA 0.545455 1
42 MAB 0.545455 1
43 LAT 0.545455 1
44 BMA BMA 0.545455 1
45 N9S 0.545455 1
46 LBT 0.545455 1
47 CBI 0.545455 1
48 BGC GAL 0.545455 1
49 GLC GAL 0.545455 1
50 BMA GAL 0.545455 1
51 CE8 0.534483 1
52 CTR 0.534483 1
53 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.534483 1
54 GLC BGC BGC BGC BGC 0.534483 1
55 GAL GAL GAL 0.534483 1
56 MTT 0.534483 1
57 GLC GLC GLC GLC GLC 0.534483 1
58 MAN MAN BMA BMA BMA BMA 0.534483 1
59 GLA GAL GLC 0.534483 1
60 MT7 0.534483 1
61 MAN BMA BMA BMA BMA BMA 0.534483 1
62 B4G 0.534483 1
63 BGC GLC GLC GLC GLC GLC GLC 0.534483 1
64 CT3 0.534483 1
65 MAN BMA BMA 0.534483 1
66 CEX 0.534483 1
67 BGC BGC BGC GLC 0.534483 1
68 GLA GAL BGC 0.534483 1
69 BMA BMA BMA 0.534483 1
70 CE5 0.534483 1
71 BMA BMA BMA BMA BMA 0.534483 1
72 BGC GLC GLC GLC GLC 0.534483 1
73 BMA BMA BMA BMA BMA BMA 0.534483 1
74 GLC BGC GLC 0.534483 1
75 MAN BMA BMA BMA BMA 0.534483 1
76 BGC GLC GLC 0.534483 1
77 CTT 0.534483 1
78 BGC GLC GLC GLC 0.534483 1
79 BGC BGC GLC 0.534483 1
80 BMA MAN BMA 0.534483 1
81 MLR 0.534483 1
82 GLC BGC BGC BGC 0.534483 1
83 GLC GAL GAL 0.534483 1
84 CEY 0.534483 1
85 BGC BGC BGC BGC 0.534483 1
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.534483 1
87 GLC BGC BGC BGC BGC BGC 0.534483 1
88 GLC BGC BGC 0.534483 1
89 BGC BGC BGC 0.534483 1
90 CE6 0.534483 1
91 DXI 0.534483 1
92 MAN MAN BMA MAN 0.530303 1
93 MAN MAN MAN MAN 0.530303 1
94 BMA MAN MAN MAN MAN 0.521739 1
95 TRE 0.520833 1
96 GAL NAG GAL GLC 0.520548 0.733333
97 BGC GAL NAG GAL 0.520548 0.733333
98 BGC BGC 0.517241 0.914286
99 GAL NGA GLA BGC GAL 0.513158 0.733333
100 GLA NAG GAL FUC 0.513158 0.717391
101 GAL FUC 0.508475 0.941176
102 LAT NAG GAL 0.506667 0.733333
103 GLC GAL NAG GAL 0.506667 0.733333
104 LAT GLA 0.5 1
105 GAL AAL GAL AAL GAL AAL 0.493333 0.891892
106 AAL GAL AAL GLA 0.493333 0.891892
107 AAL GAL AAL GAL 0.493333 0.891892
108 NAG GAL GAL NAG 0.493333 0.6875
109 GAL NAG GAL NAG GAL NAG 0.493333 0.673469
110 BMA BMA MAN 0.491803 1
111 MAN MAN BMA 0.491803 1
112 GAL NGA A2G 0.485714 0.6875
113 MAN MMA MAN 0.484848 0.942857
114 FUC GLC BGC GAL 0.484848 0.970588
115 FUC BGC GAL 0.484848 0.970588
116 GAL NAG 0.484375 0.733333
117 GAL NGA 0.484375 0.733333
118 NAG GAL 0.484375 0.733333
119 GAL A2G 0.484375 0.733333
120 BGC BGC BGC BGC BGC 0.483871 1
121 BGC BGC BGC BGC BGC BGC BGC 0.483871 1
122 U63 0.483333 0.891892
123 NGA GLA GAL BGC 0.480519 0.733333
124 MAN MAN MAN BMA MAN 0.479452 1
125 GLA EGA 0.47541 0.942857
126 DR5 0.474576 0.942857
127 MMA MAN 0.474576 0.942857
128 GLA MBG 0.473684 0.942857
129 NAG GAL BGC 0.472973 0.733333
130 FUC BGC GAL NAG GAL 0.470588 0.717391
131 GLA GAL FUC 0.469697 0.970588
132 FUC GLA GLA 0.469697 0.970588
133 GLA GLA FUC 0.469697 0.970588
134 FUC GAL GLA 0.469697 0.970588
135 GAL GAL FUC 0.469697 0.970588
136 47N 0.46875 0.891892
137 AAL GAL 0.46875 0.891892
138 GAL NAG GAL BGC 0.468354 0.702128
139 MAN MAN MAN MAN MAN MAN MAN 0.467532 1
140 DOM 0.466667 0.942857
141 NAG NAG BMA MAN 0.463415 0.634615
142 NOY BGC 0.460317 0.702128
143 BMA BMA MAN GLA GLA 0.455882 1
144 MAN MAN MAN MAN MAN MAN MAN MAN 0.452381 0.846154
145 NAG MAN BMA 0.452055 0.733333
146 OPM MAN MAN 0.452055 0.804878
147 5QP 0.451613 0.885714
148 FUC BGC GAL NAG 0.451219 0.717391
149 RZM 0.45 0.688889
150 T6P 0.45 0.767442
151 GLA MAN ABE 0.444444 0.916667
152 BMA IFM 0.444444 0.711111
153 MAL EDO 0.444444 0.942857
154 9MR 0.444444 0.744186
155 IFM BMA 0.444444 0.711111
156 IFM BGC 0.444444 0.711111
157 BGC OXZ 0.444444 0.666667
158 MAN 7D1 0.442623 0.888889
159 A2G GAL 0.441176 0.653061
160 G2F BGC BGC BGC BGC BGC 0.441176 0.868421
161 NLC 0.439394 0.733333
162 GAL MGC 0.439394 0.702128
163 GAL NDG 0.439394 0.733333
164 WZ3 0.438356 0.916667
165 GLC DMJ 0.4375 0.695652
166 FMO 0.4375 0.868421
167 MAN MNM 0.4375 0.702128
168 NOJ GLC 0.4375 0.695652
169 NAG GAL NAG 0.434211 0.6875
170 XYT 0.432836 0.767442
171 BMA BMA BMA GLA BMA 0.430556 1
172 BMA BMA GLA BMA BMA 0.430556 1
173 GLC GLC XYP 0.428571 1
174 W9T 0.428571 0.842105
175 BMA FRU 0.428571 0.842105
176 FRU GAL 0.428571 0.842105
177 GLA MAN RAM RAM ABE MAN GLA 0.425532 0.868421
178 BGC BGC ZZ1 0.425 0.767442
179 4MU MAN MAN 0.425 0.767442
180 MAN G63 0.424242 0.653061
181 GDQ GLC 0.424242 0.666667
182 BGC GLA GAL FUC 0.421053 0.970588
183 NAG BMA 0.42029 0.653061
184 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.418605 0.6875
185 1GN ACY GAL ACY 1GN BGC GAL BGC 0.418605 0.6875
186 NAG BMA MAN MAN MAN MAN 0.418605 0.733333
187 GLA GAL BGC 5VQ 0.41791 0.891892
188 GLA GAL NAG FUC GAL GLC 0.417582 0.717391
189 FUC GAL NAG GAL FUC 0.416667 0.702128
190 GLC GLC GLC BGC 0.416667 1
191 KHO 0.409836 0.888889
192 LAK 0.409836 1
193 GLA GLC 0.409836 1
194 MAN MAN 0.409836 1
195 GAL GAL 0.409836 1
196 MAN BMA 0.409836 1
197 GLA BMA 0.409836 1
198 GAL GLC 0.409836 1
199 GLA BGC 0.409836 1
200 BMA GLA 0.409836 1
201 BGC GLA 0.409836 1
202 MLB 0.409836 1
203 ABL 0.409091 0.702128
204 MVP 0.409091 0.733333
205 GAL GLC NAG GAL FUC 0.409091 0.717391
206 GLC NAG GAL GAL FUC 0.409091 0.717391
207 FUC GAL NAG GAL BGC 0.409091 0.717391
208 G3I 0.408451 0.767442
209 G2I 0.408451 0.767442
210 OXZ BGC BGC 0.408451 0.6875
211 GIV 0.408163 0.848485
212 WOO 0.408163 0.848485
213 BMA 0.408163 0.848485
214 GAL 0.408163 0.848485
215 GLA 0.408163 0.848485
216 BGC 0.408163 0.848485
217 GXL 0.408163 0.848485
218 MAN 0.408163 0.848485
219 GLC 0.408163 0.848485
220 ALL 0.408163 0.848485
221 GAL BGC BGC XYS 0.407895 0.942857
222 MAN DGO 0.40625 0.914286
223 GLA MMA ABE 0.405405 0.868421
224 MAN MAN MAN BMA MAN MAN MAN 0.404762 0.942857
225 NAG NAG BMA MAN MAN 0.404494 0.6875
226 GAL BGC NAG NAG GAL GAL 0.404494 0.6875
227 3MG 0.403846 0.857143
228 SOR GLC GLC 0.402778 0.970588
229 2M8 0.4 0.911765
230 ISX 0.4 0.761905
231 GLA GAL GLC NBU 0.4 0.846154
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6BSW; Ligand: CE6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6bsw.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6BSW; 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: 6bsw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6BSW; 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: 3) in the query (biounit: 6bsw.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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