Receptor
PDB id Resolution Class Description Source Keywords
3O75 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF CRA TRANSCRIPTIONAL DUAL REGULATOR FROM PSEUDOMONAS PUTIDA IN COMPLEX WITH FRUCTOSE 1-PHOSPHATE' PSEUDOMONAS PUTIDA DUAL TRANSCRIPTION REGULATOR DNA TRANSCRIPTION
Ref.: FRUCTOSE 1-PHOSPHATE IS THE PREFERRED EFFECTOR OF T METABOLIC REGULATOR CRA OF PSEUDOMONAS PUTIDA J.BIOL.CHEM. V. 286 9351 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F1X A:1;
B:1;
 Valid;
Valid;
 none;
none;
 Kd = 209 nM
260.136 C6 H13 O9 P C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3O75 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF CRA TRANSCRIPTIONAL DUAL REGULATOR FROM PSEUDOMONAS PUTIDA IN COMPLEX WITH FRUCTOSE 1-PHOSPHATE' PSEUDOMONAS PUTIDA DUAL TRANSCRIPTION REGULATOR DNA TRANSCRIPTION
Ref.: FRUCTOSE 1-PHOSPHATE IS THE PREFERRED EFFECTOR OF T METABOLIC REGULATOR CRA OF PSEUDOMONAS PUTIDA J.BIOL.CHEM. V. 286 9351 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 3O75 Kd = 209 nM F1X C6 H13 O9 P C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 3O75 Kd = 209 nM F1X C6 H13 O9 P C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 3O75 Kd = 209 nM F1X C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: F1X; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 F1X 1 1
2 AFP 0.744186 0.954545
3 FBP 0.744186 0.954545
4 TA6 0.531915 1
5 F6P 0.531915 1
6 FRU 0.487805 0.744186
7 LFR 0.487805 0.744186
8 SF6 0.487805 0.744186
9 PSV 0.487805 0.744186
10 SF9 0.487805 0.744186
11 OI7 0.472727 0.931818
12 F1P 0.470588 0.847826
13 FDP 0.407407 0.954545
Similar Ligands (3D)
Ligand no: 1; Ligand: F1X; Similar ligands found: 231
No: Ligand Similarity coefficient
1 PLP 0.9231
2 PLR 0.9225
3 G6P 0.9192
4 PMP 0.9183
5 PXP 0.9141
6 M6P 0.9133
7 BG6 0.9123
8 D6G 0.9122
9 HSX 0.9118
10 FER 0.9070
11 GLP 0.9065
12 M6D 0.9049
13 GJK 0.9039
14 NBG 0.9036
15 3LJ 0.8986
16 TU0 0.8962
17 SYE 0.8957
18 RVE 0.8947
19 X04 0.8939
20 AZY 0.8935
21 BGP 0.8918
22 CIY 0.8911
23 QIV 0.8905
24 N7I 0.8905
25 4R1 0.8900
26 NAG 0.8889
27 KLV 0.8881
28 KYN 0.8877
29 A5P 0.8875
30 R1P 0.8874
31 PZP 0.8871
32 PLP PMP 0.8871
33 A6P 0.8871
34 ABF 0.8867
35 IOP 0.8865
36 MP5 0.8862
37 3IL 0.8861
38 IOS 0.8858
39 DAH 0.8856
40 P80 0.8850
41 LTN 0.8848
42 YOF 0.8847
43 363 0.8843
44 YTX 0.8840
45 TRP 0.8834
46 IYR 0.8832
47 BPY 0.8832
48 BY5 0.8828
49 N2M 0.8825
50 NIY 0.8822
51 QMS 0.8822
52 CC5 0.8814
53 DHC 0.8808
54 NPL 0.8806
55 P0P 0.8805
56 XCG 0.8805
57 YO5 0.8805
58 R5P 0.8804
59 2LT 0.8804
60 QIF 0.8799
61 4BY 0.8798
62 0F9 0.8798
63 TT4 0.8795
64 RP5 0.8790
65 5WN 0.8787
66 M5H 0.8784
67 9GP 0.8781
68 4Z9 0.8778
69 RP3 0.8772
70 CR1 0.8771
71 FMQ 0.8769
72 APS 0.8765
73 2GQ 0.8764
74 TR4 0.8762
75 OSB 0.8760
76 ARP 0.8759
77 657 0.8758
78 NOK 0.8753
79 CFA 0.8752
80 SG2 0.8751
81 M3Q 0.8750
82 2UD 0.8749
83 VXX 0.8749
84 GC3 0.8748
85 B4O 0.8748
86 HQJ 0.8747
87 5OO 0.8746
88 ALE 0.8744
89 51Y 0.8744
90 KWB 0.8743
91 GRF 0.8742
92 14W 0.8740
93 C9M 0.8740
94 S0G 0.8736
95 CTN 0.8734
96 K80 0.8731
97 ONR 0.8728
98 61M 0.8727
99 RKV 0.8726
100 STT 0.8722
101 FWD 0.8718
102 EV2 0.8718
103 9BF 0.8709
104 PMV 0.8708
105 NDG 0.8705
106 SQV 0.8704
107 AVA 0.8701
108 S3P 0.8699
109 K48 0.8698
110 VM1 0.8696
111 CTE 0.8695
112 ET0 0.8692
113 54E 0.8690
114 EUE 0.8690
115 ZEC 0.8688
116 TB8 0.8687
117 LFQ 0.8686
118 EN1 0.8684
119 AMR 0.8683
120 4I8 0.8680
121 428 0.8680
122 1QP 0.8678
123 CWD 0.8675
124 GO8 0.8675
125 3VW 0.8670
126 7MX 0.8669
127 V2Z 0.8669
128 5GT 0.8668
129 IAC 0.8665
130 1A7 0.8665
131 549 0.8663
132 HCA 0.8663
133 9UL 0.8662
134 1X4 0.8658
135 KF5 0.8658
136 CK1 0.8657
137 6Q3 0.8655
138 IQ5 0.8653
139 LL1 0.8653
140 96Z 0.8651
141 S3C 0.8651
142 DG2 0.8651
143 0NX 0.8650
144 GF4 0.8650
145 2JX 0.8648
146 MUX 0.8648
147 BP3 0.8647
148 5RP 0.8647
149 GRX 0.8646
150 H75 0.8646
151 HJH 0.8646
152 3ZB 0.8645
153 3C5 0.8644
154 1QV 0.8642
155 P7Y 0.8641
156 0UL 0.8641
157 2D2 0.8640
158 P9E 0.8639
159 TYR 0.8639
160 ZYV 0.8639
161 78Y 0.8629
162 ZRK 0.8627
163 MPP 0.8627
164 BWD 0.8626
165 6DP 0.8626
166 S7P 0.8626
167 MPV 0.8626
168 3Y7 0.8625
169 3VX 0.8622
170 5AD 0.8621
171 6J9 0.8620
172 6J5 0.8618
173 463 0.8618
174 F6R 0.8616
175 EQA 0.8616
176 5FL 0.8615
177 6NZ 0.8614
178 PFF 0.8614
179 6HX 0.8608
180 5E5 0.8608
181 5F8 0.8606
182 JCZ 0.8605
183 CH9 0.8605
184 AX3 0.8601
185 DXP 0.8597
186 RES 0.8597
187 4GP 0.8595
188 CXH 0.8594
189 SV4 0.8593
190 N1E 0.8592
191 GL6 0.8592
192 0FR 0.8590
193 0OY 0.8590
194 GDL 0.8590
195 DER 0.8588
196 7VY 0.8587
197 PA5 0.8586
198 L21 0.8583
199 P4L 0.8580
200 L1T 0.8579
201 HIC 0.8577
202 CKU 0.8574
203 THM 0.8574
204 F06 0.8573
205 52F 0.8571
206 UNJ 0.8568
207 KW8 0.8567
208 GZ2 0.8566
209 FZM 0.8566
210 H7S 0.8565
211 MMS 0.8565
212 5SP 0.8564
213 N91 0.8564
214 OKM 0.8563
215 IWD 0.8557
216 NB1 0.8557
217 ZZA 0.8556
218 PHI 0.8555
219 JSX 0.8553
220 R9G 0.8552
221 2FX 0.8551
222 7QD 0.8548
223 GAR 0.8548
224 EQW 0.8545
225 3D8 0.8543
226 OQC 0.8542
227 VBC 0.8535
228 RCV 0.8524
229 3C4 0.8521
230 NFM 0.8520
231 EWG 0.8517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3O75; Ligand: F1X; 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: 3o75.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3O75; Ligand: F1X; 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: 3o75.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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