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Receptor
PDB id Resolution Class Description Source Keywords
2X34 1.9 Å NON-ENZYME: BINDING STRUCTURE OF A POLYISOPRENOID BINDING DOMAIN FROM SACCHAROPH DEGRADANS IMPLICATED IN PLANT CELL WALL BREAKDOWN SACCHAROPHAGUS DEGRADANS CARBOHYDRATE-BINDING PROTEIN OXIDOREDUCTION MARINE BACTERIPOLYISOPRENOID TRANSPORT
Ref.: STRUCTURE OF A POLYISOPRENOID BINDING DOMAIN FROM SACCHAROPHAGUS DEGRADANS IMPLICATED IN PLANT CELL W BREAKDOWN FEBS LETT. V. 584 1577 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UQ8 A:7575;
B:7576;
Valid;
Valid;
none;
none;
submit data
727.109 C49 H74 O4 CC1=C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2X34 1.9 Å NON-ENZYME: BINDING STRUCTURE OF A POLYISOPRENOID BINDING DOMAIN FROM SACCHAROPH DEGRADANS IMPLICATED IN PLANT CELL WALL BREAKDOWN SACCHAROPHAGUS DEGRADANS CARBOHYDRATE-BINDING PROTEIN OXIDOREDUCTION MARINE BACTERIPOLYISOPRENOID TRANSPORT
Ref.: STRUCTURE OF A POLYISOPRENOID BINDING DOMAIN FROM SACCHAROPHAGUS DEGRADANS IMPLICATED IN PLANT CELL W BREAKDOWN FEBS LETT. V. 584 1577 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2X34 - UQ8 C49 H74 O4 CC1=C(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2X34 - UQ8 C49 H74 O4 CC1=C(C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2X34 - UQ8 C49 H74 O4 CC1=C(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UQ8; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 UQ 1 1
2 UQ8 1 1
3 U10 1 1
4 UQ9 1 1
5 UQ7 1 1
6 UQ5 1 0.970588
7 UQ2 0.92 0.941176
8 UQ1 0.603774 0.794118
9 MQ9 0.552239 0.710526
10 MQ7 0.552239 0.710526
11 UQ6 0.449275 0.780488
12 9BR 0.405405 0.622222
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2X34; Ligand: UQ8; Similar sites found with APoc: 205
This union binding pocket(no: 1) in the query (biounit: 2x34.bio2) has 46 residues
No: Leader PDB Ligand Sequence Similarity
1 5IXG OTP None
2 2BOS GLA GAL None
3 2BOS GLA GAL GLC None
4 1OGZ EQU None
5 1N5S ADL None
6 5G48 1FL None
7 3QRC SCR None
8 5SVV FMN None
9 3KFF ZBT None
10 3KFF XBT None
11 6GBV FMN None
12 1OPB RET None
13 4B1M FRU FRU None
14 2Z77 NCA None
15 2GJ5 VD3 None
16 3QUG GIX None
17 5BU3 4W9 None
18 4INI AMP None
19 5DJT FMN None
20 4K55 H6P None
21 5TFZ 7BC None
22 2GC0 PAN None
23 1QY1 PRZ None
24 5FPX GLY SER SER HIS HIS HIS HIS HIS None
25 5N2D 8J8 None
26 2Z77 HE7 None
27 1DZK PRZ None
28 5TPV TYD 0.653595
29 3A76 SPD 1.13636
30 2Z6D FMN 1.53846
31 2RDE C2E 1.65746
32 1DMY AZM 1.65746
33 2V2G BEZ 1.65746
34 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 1.65746
35 1MFD GLA MMA ABE 1.65746
36 4H69 10Y 1.65746
37 3VMG 9CA 1.73913
38 4RYV ZEA 1.93548
39 2E56 MYR 2.08333
40 4XMF HSM 2.20994
41 5YJS SAL 2.20994
42 1OI6 TMP 2.20994
43 3W68 VIV 2.20994
44 2GTF P1R 2.22222
45 4USF 6UI 2.30263
46 5LUN OGA 2.76243
47 4MOB ADP 2.76243
48 4MZU TYD 2.76243
49 1VRP ADP 2.76243
50 2FCU AKG 2.76243
51 5JSP DQY 2.76243
52 5OF1 SAL 2.76243
53 6EWZ GTP 2.76243
54 5J75 6GQ 2.76243
55 1UNB AKG 2.76243
56 6BJ0 G6P 2.76243
57 6F5U CQN 2.76243
58 1UNB PN1 2.76243
59 3RK1 ATP 2.76243
60 3A6T 8OG 3.10078
61 1LFO OLA 3.125
62 1GT4 UNA 3.14465
63 2DIO EOD 3.19149
64 3MTX PGT 3.31126
65 4W6Z ETF 3.31492
66 6EZ6 C5Z 3.31492
67 1YKD CMP 3.31492
68 4P7X YCP 3.31492
69 4P7X AKG 3.31492
70 4QCK ASD 3.31492
71 5DXT 5H5 3.31492
72 2CM4 RCL 3.33333
73 1IIU RTL 3.44828
74 3NNF AKG 3.8674
75 6GNO XDI 3.8674
76 5EO8 TFU 3.8674
77 4QDF 30Q 3.8674
78 6DW2 HD4 3.8674
79 4RW3 IPD 3.8674
80 2YG2 S1P 3.8674
81 1ODM ASV 3.8674
82 3N29 GOL 3.8674
83 4QDC ASD 3.8674
84 1MEX RAC 3.8674
85 4HIA FMN 3.97727
86 2HZQ STR 4.02299
87 4ZU4 4TG 4.05405
88 6F8A HIS 4.25
89 5K21 6QF 4.25532
90 3JU6 ANP 4.32432
91 4JH6 FCN 4.34783
92 2JIG PD2 4.41989
93 1YFS ALA 4.41989
94 3ACL 3F1 4.41989
95 1Z03 OCH 4.41989
96 2OO0 PLP 4.41989
97 4OCX MT1 4.41989
98 5DYO FLU 4.41989
99 5XQW 8EU 4.41989
100 1MJJ HAL 4.41989
101 1RJW ETF 4.41989
102 5NBW 8SK 4.41989
103 2I6A 5I5 4.41989
104 5KO1 6UY 4.41989
105 4X7Q 3YR 4.41989
106 5NCJ HL5 4.41989
107 2Z3U CRR 4.47059
108 1KQW RTL 4.47761
109 2E27 AB0 4.7619
110 5EPQ OLA 4.87805
111 6GG9 FMN 4.93827
112 5EZU MYR 4.97238
113 4WOE ADP 4.97238
114 2YKL NLD 4.97238
115 4M1U A2G MBG 4.97238
116 2QX0 PH2 4.97238
117 5C3R AKG 4.97238
118 5C3R HMU 4.97238
119 4OJ8 AKG 4.97238
120 5XQL C2E 4.97238
121 3JRS A8S 4.97238
122 1NE6 SP1 4.97238
123 3PDT ADP 4.97238
124 2QL9 CIT 5.20231
125 6FXR AKG 5.52486
126 3NZ1 3NY 5.52486
127 2F2G HMH 5.52486
128 4Y3O OGA 5.52486
129 5X7Q GLC GLC GLC GLC GLC 5.52486
130 4FFG LBS 5.52486
131 5X7Q GLC GLC GLC GLC 5.52486
132 5DBX ANP 5.52486
133 5MJA 7O3 5.52486
134 4H6B 10Y 5.64103
135 4H6B 10X 5.64103
136 3PNA CMP 5.84416
137 5LJB RTL 5.92593
138 5MOB A8S 6.07735
139 2R5V HHH 6.07735
140 5L6G XYP 6.07735
141 5OCG 9R5 6.07735
142 6CI9 F3V 6.07735
143 4RF7 ARG 6.62983
144 2WH8 II2 6.62983
145 3SLS 77D 6.62983
146 5LVP ATP 6.62983
147 3H7J PPY 6.62983
148 3N1S 5GP 6.72269
149 1OW4 2AN 6.97674
150 5YF9 NIO 7.18232
151 3QSB 743 7.18232
152 3AGC RCC 7.18232
153 1NJJ ORX 7.18232
154 1ZNY GDP 7.73481
155 1F9V ADP 7.73481
156 2Z5Y HRM 7.73481
157 2C49 ADN 7.73481
158 5H5A 6OU 7.73481
159 2P7Q GG6 8.27068
160 5Y4R C2E 8.27586
161 5HV0 AKG 8.28729
162 4NPL AKG 8.28729
163 5HV7 RBL 8.28729
164 4RLT FSE 8.28729
165 1H8S AIC 8.33333
166 4NVP 7CH 8.61244
167 5KWY C3S 8.83978
168 5KJW 53C 8.83978
169 5FPE 3TR 8.83978
170 3TY5 ATP 8.83978
171 1Y7P RIP 8.83978
172 4YVN EBS 8.83978
173 3B1Q NOS 8.83978
174 3P7N FMN 8.83978
175 4NG2 OHN 9.23913
176 5I0U DCY 9.39227
177 3ZJX BOG 9.39227
178 5XEG AKG 9.39227
179 5LXB 7A9 9.39227
180 1F52 ADP 9.39227
181 3RGA LSB 9.94475
182 2PFC PLM 9.94475
183 3Q60 ATP 9.94475
184 3O2K DST 9.94475
185 3CF6 SP1 9.94475
186 1KGI T4A 10.2362
187 3DZ6 PUT 10.4478
188 4H2X G5A 10.6796
189 1MH5 HAL 11.0497
190 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 11.6022
191 4QXB OGA 11.7647
192 5OO5 UUA 12.0968
193 5O5Y GLC 12.1547
194 5L2R MLA 12.1547
195 4GCZ FMN 12.1547
196 2HKA C3S 12.3077
197 2PNC CLU 13.2597
198 5H9Y BGC BGC BGC BGC 13.2597
199 5IXH OTP 13.6646
200 4BXF AKG 15.4696
201 5EJL C2E 16.5746
202 5V3D FCN 17.2414
203 2GOO NDG 20.1754
204 4IAW LIZ 20.2128
205 4MLO PAM 22.0994
Pocket No.: 2; Query (leader) PDB : 2X34; Ligand: UQ8; Similar sites found with APoc: 64
This union binding pocket(no: 2) in the query (biounit: 2x34.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
1 6D61 4AA None
2 3GM5 CIT None
3 2PR5 FMN None
4 1I06 TZL None
5 1J3R 6PG None
6 4RT1 C2E None
7 5DKK FMN None
8 5F6U 5VK None
9 4TW7 37K None
10 5UNJ RJW None
11 5DJU FMN None
12 5FIT AP2 1.36054
13 3C3D FO1 2.20994
14 4Q0P 0MK 2.20994
15 5HVJ ANP 2.20994
16 5AIG VPR 2.4
17 5V1B 8UY 2.76243
18 4XCB AKG 2.76243
19 4TWL ASC 2.76243
20 2IYG FMN 3.22581
21 4J25 OGA 3.31492
22 1OIK AKG 3.31492
23 1VJ7 GDP 3.31492
24 4RD0 GDP 3.31492
25 6CZI 38E 3.57143
26 5FU3 BGC BGC BGC 3.77358
27 4KBA 1QM 3.8674
28 5UPK ANP 3.8674
29 2G30 ALA ALA PHE 3.8674
30 1LOX RS7 3.8674
31 5NCF 8T5 3.8674
32 5N0L ILE 4.40252
33 3VV1 GAL FUC 4.41989
34 2DDQ HRB 4.41989
35 5KD8 TNR 4.41989
36 6BR9 6OU 4.41989
37 5D6T NGA 4.41989
38 1EB9 HBA 4.41989
39 5FI4 5XV 4.41989
40 4Q0A 4OA 4.41989
41 6AYI C3G 4.97238
42 3HQP OXL 4.97238
43 3B00 16A 4.97238
44 6C0B PAM 5.12821
45 3QH2 3NM 5.52486
46 3ET1 ET1 5.52486
47 4ZU5 THM 6.25
48 4EE7 PIS 6.62983
49 3JQ3 ADP 7.18232
50 2WKQ FMN 7.18232
51 1VBH PEP 7.18232
52 5JZJ AN2 7.73481
53 1SDW IYT 8.28729
54 2HFN FMN 8.49673
55 4CCN OGA 8.57143
56 5WZN A2G 9.39227
57 5I8T LAC 10.4972
58 3ZO7 K6H 10.6383
59 5WS9 OXL 12.1547
60 2X05 X05 12.1547
61 4WN5 MVC 13.0435
62 2YAJ 4HP 13.9535
63 3PUR 2HG 18.232
64 1SQI 869 18.7845
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