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Receptor
PDB id Resolution Class Description Source Keywords
2X32 1.55 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
IMD A:1175;
B:1175;
B:1176;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
69.085 C3 H5 N2 c1c[n...
OTP A:1174;
B:1174;
Valid;
Valid;
none;
none;
submit data
722.911 C40 H68 O7 P2 CC(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2X32 1.55 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 2X32 - OTP C40 H68 O7 P2 CC(=CCC/C(....
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 2X32 - OTP C40 H68 O7 P2 CC(=CCC/C(....
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 2X32 - OTP C40 H68 O7 P2 CC(=CCC/C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OTP; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 OTP 1 1
2 GRG 1 0.975
3 ZTP 1 1
4 FPP 1 0.975
5 VTP 1 1
6 GPP 0.911111 0.95
7 DSL 0.744681 0.925
8 FJP 0.744681 0.9
9 0K3 0.744681 0.925
10 FDF 0.727273 0.883721
11 FFF 0.714286 0.906977
12 FGG 0.590164 0.906977
13 2CF 0.57377 0.906977
14 FPF 0.57377 0.906977
15 10D 0.568627 0.767442
16 10E 0.568627 0.6875
17 MGM 0.5625 0.75
18 DMA 0.5625 0.825
19 A4S 0.558824 0.685185
20 3E9 0.555556 0.928571
21 FPS 0.551724 0.860465
22 GGS 0.551724 0.860465
23 H6P 0.54902 0.767442
24 FPQ 0.539683 0.808511
25 10G 0.538462 0.75
26 FII 0.507937 0.655172
27 GST 0.482759 0.837209
28 PS7 0.48 0.886364
29 FHP 0.473684 0.744186
30 1NH 0.457831 0.755102
31 0FV 0.442623 0.883721
32 LA6 0.442623 0.883721
33 749 0.428571 0.875
34 SZH 0.428571 0.644068
35 9GB 0.415094 0.804878
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2X32; Ligand: OTP; Similar sites found with APoc: 212
This union binding pocket(no: 1) in the query (biounit: 2x32.bio2) has 46 residues
No: Leader PDB Ligand Sequence Similarity
1 5IXG OTP None
2 1OGZ EQU None
3 1N5S ADL None
4 2BOS GLA GAL None
5 2BOS GLA GAL GLC None
6 5SVV FMN None
7 1CEB AMH None
8 1OGX EQU None
9 5F6U 5VK None
10 3KFF ZBT None
11 3KFF XBT None
12 1OPB RET None
13 4RHP PEF None
14 5G48 1FL None
15 5B09 4MX None
16 1N9L FMN None
17 2Z6D FMN None
18 2GJ5 VD3 None
19 2PR5 FMN None
20 5Y02 MXN None
21 3QUG GIX None
22 3AI3 SOE None
23 2Z77 HE7 None
24 4INI AMP None
25 5EFW FMN None
26 2Z6C FMN None
27 5DJT FMN None
28 5DKK FMN None
29 4B1L FRU None
30 5FPX GLY SER SER HIS HIS HIS HIS HIS None
31 2GC0 PAN None
32 5DJU FMN None
33 4B1M FRU FRU 1.08108
34 3A76 SPD 1.13636
35 5FIT AP2 1.36054
36 1DMY AZM 1.67598
37 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 1.67598
38 1MFD GLA MMA ABE 1.67598
39 4QM9 CYS 1.7341
40 4RYV ZEA 1.93548
41 4R38 RBF 2.14286
42 2GTF P1R 2.23464
43 4XMF HSM 2.23464
44 4MOB ADP 2.23464
45 3C3D FO1 2.23464
46 2WH8 II2 2.23464
47 5YJS SAL 2.23464
48 1UNB AKG 2.23464
49 1UNB PN1 2.23464
50 3W68 VIV 2.23464
51 4X6K 3XR 2.23464
52 1QY1 PRZ 2.29885
53 3GM5 CIT 2.51572
54 2RDE C2E 2.7933
55 5OF1 SAL 2.7933
56 1VRP ADP 2.7933
57 2FCU AKG 2.7933
58 4BIX ADP 2.7933
59 5JSP DQY 2.7933
60 1OI6 TMP 2.7933
61 2GVJ DGB 2.7933
62 3A6T 8OG 3.10078
63 1GT4 UNA 3.14465
64 3MTX PGT 3.31126
65 2CM4 RCL 3.33333
66 4W6Z ETF 3.35196
67 5C1M OLC 3.35196
68 5C9J DAO 3.35196
69 2IGA XX3 3.35196
70 2OVD DAO 3.35196
71 4TWL ASC 3.35196
72 5J75 6GQ 3.35196
73 1YKD CMP 3.35196
74 2IGA XXP 3.35196
75 4P7X YCP 3.35196
76 4P7X AKG 3.35196
77 3NNF AKG 3.91061
78 6DW2 HD4 3.91061
79 4QDF 30Q 3.91061
80 3O2K DST 3.91061
81 1TO9 HMH 3.91061
82 3I7S PYR 3.91061
83 4QDC ASD 3.91061
84 5EO8 TFU 3.91061
85 4USF 6UI 3.91061
86 4HIA FMN 3.97727
87 2HZQ STR 4.02299
88 4ZU4 4TG 4.05405
89 5K21 6QF 4.25532
90 4JH6 FCN 4.34783
91 2JIG PD2 4.46927
92 1YFS ALA 4.46927
93 2OO0 PLP 4.46927
94 4Q0A 4OA 4.46927
95 1Z03 OCH 4.46927
96 5DYO FLU 4.46927
97 5XQW 8EU 4.46927
98 2I6A 5I5 4.46927
99 5KO1 6UY 4.46927
100 1MEX RAC 4.46927
101 5NBW 8SK 4.46927
102 5NCJ HL5 4.46927
103 5TFZ 7BC 4.66667
104 2E27 AB0 4.7619
105 5EPQ OLA 4.87805
106 2YKL NLD 5.02793
107 4M1U A2G MBG 5.02793
108 2Z3U CRR 5.02793
109 4YZ5 SLT 5.02793
110 4OJ8 AKG 5.02793
111 6C0B PAM 5.12821
112 2QL9 CIT 5.20231
113 4EES FMN 5.21739
114 2UYN 2KT 5.42636
115 6GG9 FMN 5.55556
116 4WOE ADP 5.58659
117 6GBV FMN 5.58659
118 1M3U KPL 5.58659
119 1NJJ ORX 5.58659
120 4FFG LBS 5.58659
121 3ET1 ET1 5.58659
122 5LJB RTL 5.92593
123 4MZU TYD 6.14525
124 2R5V HHH 6.14525
125 5X7Q GLC GLC GLC GLC GLC 6.14525
126 5C3R AKG 6.14525
127 5C3R HMU 6.14525
128 5OCG 9R5 6.14525
129 5X7Q GLC GLC GLC GLC 6.14525
130 6CI9 F3V 6.14525
131 6FA4 D1W 6.35838
132 4RF7 ARG 6.70391
133 6GNO XDI 6.70391
134 4NVP 7CH 6.70391
135 2AXR ABL 6.70391
136 5LVP ATP 6.70391
137 5XJD 87L 6.70391
138 4RSE A6V 6.70391
139 1KQW RTL 6.71642
140 3N1S 5GP 6.72269
141 4OFG PCG 6.94444
142 6FXR AKG 7.26257
143 5YF9 NIO 7.26257
144 3N29 GOL 7.26257
145 3AGC RCC 7.26257
146 2OJW ADP 7.26257
147 1OW4 2AN 7.75194
148 1ZNY GDP 7.82123
149 2Z5Y HRM 7.82123
150 2C49 ADN 7.82123
151 4POS NAG SIA GAL 7.82123
152 3VNM SDD 7.82123
153 2YG2 S1P 8.13953
154 4WUJ FMN 8.16327
155 2P7Q GG6 8.27068
156 1H8S AIC 8.33333
157 5HV0 AKG 8.37989
158 5HWV MBN 8.46154
159 1IIU RTL 8.62069
160 5KWY C3S 8.93855
161 5KJW 53C 8.93855
162 5FPE 3TR 8.93855
163 3JU6 ANP 8.93855
164 4KBA 1QM 8.93855
165 1Y7P RIP 8.93855
166 3B1Q NOS 8.93855
167 2YOO K2B 8.93855
168 4ZU5 THM 9.02778
169 4NG2 OHN 9.23913
170 3ZJX BOG 9.49721
171 5XEG AKG 9.49721
172 5MOB A8S 9.49721
173 5WZN A2G 9.49721
174 1F52 ADP 9.49721
175 5Y4R C2E 9.65517
176 3PNA CMP 9.74026
177 4H6B 10Y 9.74359
178 4H6B 10X 9.74359
179 3Q60 ATP 10.0559
180 6F8A HIS 10.0559
181 3CF6 SP1 10.0559
182 4J8T DOG 10.219
183 1KGI T4A 10.2362
184 1XIM XYL 10.6145
185 1C5C TK4 11.7318
186 4QXB OGA 11.7647
187 5N2D 8J8 11.8056
188 3VV1 GAL FUC 11.875
189 5OO5 UUA 12.0968
190 5O5Y GLC 12.2905
191 5W7B MYR 12.2905
192 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 12.2905
193 5L2R MLA 12.2905
194 2HKA C3S 12.3077
195 4WN5 MVC 13.0435
196 5H9Y BGC BGC BGC BGC 13.4078
197 5Z84 CHD 13.9665
198 5ZCO CHD 13.9665
199 1ODM ASV 13.9665
200 5IXH OTP 14.2857
201 3ACL 3F1 15.6425
202 1NE6 SP1 16.2011
203 5V3D FCN 17.2414
204 5EJL C2E 17.8771
205 6A9F 9BF 17.8771
206 4G7A AZM 18.9516
207 3PUR 2HG 18.9944
208 1O6U PLM 20.1117
209 2GOO NDG 20.1754
210 4MLO PAM 22.905
211 3T7V MD0 23.4637
212 4IAW LIZ 24.581
Pocket No.: 2; Query (leader) PDB : 2X32; Ligand: OTP; Similar sites found with APoc: 85
This union binding pocket(no: 2) in the query (biounit: 2x32.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
1 5BU3 4W9 None
2 1J3R 6PG None
3 5FU3 BGC BGC BGC None
4 1NWW HPN None
5 4K55 H6P None
6 5VGS 9A4 None
7 2Z77 NCA None
8 5Y02 HBX None
9 4JGP PYR None
10 3QRC SCR None
11 1DZK PRZ None
12 4TW7 37K None
13 6D61 4AA 1.67598
14 3FW3 ETS 1.67598
15 2BYC FMN 2.18978
16 3PUA OGA 2.23464
17 4C2W ANP 2.23464
18 5AIG VPR 2.4
19 2G50 PYR 2.7933
20 4XCB AKG 2.7933
21 3RK1 ATP 2.7933
22 3KYG 5GP 5GP 2.7933
23 1UUY PPI 2.99401
24 1VJ7 GDP 3.35196
25 5DXT 5H5 3.35196
26 4RD0 GDP 3.35196
27 4QCK ASD 3.35196
28 1LOX RS7 3.35196
29 6CZI 38E 3.57143
30 6BJ0 G6P 3.91061
31 4RW3 IPD 3.91061
32 1SNN 5RP 3.96476
33 5GP0 GPP 4.02685
34 2DDQ HRB 4.46927
35 6EZ6 C5Z 4.46927
36 1GZ4 FUM 4.46927
37 1MJJ HAL 4.46927
38 5EZU MYR 5.02793
39 3HQP OXL 5.02793
40 5U9J GER 5.32544
41 3NZ1 3NY 5.58659
42 5MJA 7O3 5.58659
43 5DBX ANP 5.58659
44 5OM2 DXT 5.58659
45 2GWH PCI 6.14525
46 2F2G HMH 6.14525
47 5HV7 RBL 6.14525
48 5EZ1 ICB 6.14525
49 1X0P FAD 6.29371
50 1JQD HSM 6.70391
51 5OX6 A1Z 6.70391
52 5LUN OGA 7.26257
53 3FYP PEP 7.26257
54 1F9V ADP 7.82123
55 6AYH C3G 7.82123
56 5JZJ AN2 7.82123
57 5BVB DOG 8.33333
58 2FOI JPA 8.33333
59 4RLT FSE 8.37989
60 5H5A 6OU 8.37989
61 4CCN OGA 8.57143
62 4YVN EBS 8.93855
63 3P7N FMN 8.93855
64 5LXB 7A9 9.49721
65 5UPK ANP 9.49721
66 5I0U DCY 9.49721
67 1SDW IYT 10.0559
68 2PFC PLM 10.0559
69 3RGA LSB 10.0559
70 3DZ6 PUT 10.4478
71 5XLY C2E 10.5263
72 3KP6 SAL 10.596
73 4XDA RIB 10.6145
74 5KR7 6X9 10.6145
75 2G30 ALA ALA PHE 10.8527
76 1MH5 HAL 11.1732
77 3QH2 3NM 11.1732
78 5CJF 520 11.7318
79 4GCZ FMN 12.8492
80 5WS9 OXL 12.8492
81 3KYF 5GP 5GP 13.8528
82 2PNC CLU 13.9665
83 5W97 CHD 13.9665
84 4BXF AKG 15.6425
85 3UG4 AHR 16.7598
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