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Receptor
PDB id Resolution Class Description Source Keywords
1F0X 1.9 Å EC: 1.1.1.28 CRYSTAL STRUCTURE OF D-LACTATE DEHYDROGENASE, A PERIPHERAL M RESPIRATORY ENZYME. ESCHERICHIA COLI OXIDOREDUCTASE
Ref.: THE CRYSTAL STRUCTURE OF D-LACTATE DEHYDROGENASE, A PERIPHERAL MEMBRANE RESPIRATORY ENZYME. PROC.NATL.ACAD.SCI.USA V. 97 9413 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:600;
B:1600;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1F0X 1.9 Å EC: 1.1.1.28 CRYSTAL STRUCTURE OF D-LACTATE DEHYDROGENASE, A PERIPHERAL M RESPIRATORY ENZYME. ESCHERICHIA COLI OXIDOREDUCTASE
Ref.: THE CRYSTAL STRUCTURE OF D-LACTATE DEHYDROGENASE, A PERIPHERAL MEMBRANE RESPIRATORY ENZYME. PROC.NATL.ACAD.SCI.USA V. 97 9413 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1F0X - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1F0X - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1F0X - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1F0X; Ligand: FAD; Similar sites found with APoc: 240
This union binding pocket(no: 1) in the query (biounit: 1f0x.bio2) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 1WUW TSU None
2 2H8H H8H 1.1215
3 3N2O AG2 1.22592
4 2UUU FAD 1.40105
5 2UUU PL3 1.40105
6 3TXO 07U 1.41643
7 1E8G FCR 1.42857
8 1E8G FAD 1.42857
9 4P8K FAD 1.45833
10 4P8K 38C 1.45833
11 2IVD ACJ 1.46444
12 2EB5 OXL 1.49813
13 2VL8 UDP 1.64835
14 2VL8 CTS 1.64835
15 2J4D MHF 1.71429
16 5DZT AMP 1.75131
17 5F7U GLC GLC 1.75131
18 1YBH P22 1.75131
19 3DLS ADP 1.79104
20 3NNT DQA 1.81159
21 3KN5 ANP 1.84615
22 5CX6 CDP 1.92644
23 2F2U M77 1.99005
24 3DDN HPV 2.08333
25 5TV6 PML 2.08333
26 5H4S RAM 2.11268
27 3S6X SIA GAL BGC 2.15385
28 5ETJ IM5 2.16049
29 2CYB TYR 2.16718
30 1CT9 GLN 2.16998
31 1FDJ 13P 2.20386
32 1FDJ 2FP 2.20386
33 5K8B PDG 2.23325
34 4IDT T28 2.27671
35 3ITJ CIT 2.36686
36 3IP8 B85 2.45184
37 3B1Q NOS 2.45399
38 2ABJ CBC 2.45902
39 3WVR AMP 2.46085
40 4TQK NAG 2.46305
41 2X1L ADN 2.48092
42 2I0K FAD 2.49554
43 3FU7 D2M 2.50447
44 3SQP 3J8 2.51046
45 3E3U NVC 2.53807
46 2VAR KDF 2.55591
47 3B9Z CO2 2.57732
48 4EZD SEY 2.60417
49 1G2O IMH 2.61194
50 1O5Q PYR 2.62295
51 6BMS POV 2.6393
52 6CS8 F9Y 2.64026
53 4JB1 FAD 2.64706
54 4JB1 NAP 2.64706
55 2PS1 ORO 2.65487
56 2PS1 PRP 2.65487
57 5OFW 9TW 2.69058
58 4G2R H1L 2.74841
59 3BRE C2E 2.7933
60 2Z9V PXM 2.80612
61 3FIU AMP 2.81124
62 2WW4 ADP 2.82686
63 5LX9 OLB 2.9316
64 3M0J OAF 2.9316
65 6BYF CIT 2.94118
66 3RK0 AMP 2.95359
67 1V97 FAD 2.97723
68 4YSW NAI 2.97723
69 4YSW FAD 2.97723
70 4NST ADP 2.98507
71 3TAO PGH 2.99625
72 1GPM AMP 3.04762
73 4JWH SAH 3.19489
74 5VJN ADE 3.20856
75 5VJN IR8 3.20856
76 1Q8Y ADE 3.21716
77 5DMZ ADP 3.28767
78 5OKU 0L1 3.29341
79 4UX9 ANP 3.2967
80 1PZM 5GP 3.31754
81 5DNC ASN 3.3275
82 1M1B SPV 3.38983
83 6DWI HD4 3.43348
84 5MB4 NAG 3.49127
85 5G5G FAD 3.49345
86 4O6M C5P 3.49462
87 4P6G 2FZ 3.53982
88 5LQ8 GB 3.5461
89 1TV5 ORO 3.61174
90 1FIQ FAD 3.65297
91 3NRZ FAD 3.65854
92 2HJR CIT 3.65854
93 3KDM TES 3.66972
94 2ZUX RAM 3.67776
95 4XDY HIO 3.67776
96 4XPL ACO 3.68098
97 5JZJ AN2 3.7037
98 6F9G PUT 3.73832
99 5Y0T TAT 3.76471
100 2G50 PYR 3.77358
101 3BM1 FMN 3.82514
102 4IA6 EIC 3.85289
103 2DUA OXL 3.85289
104 1QK3 5GP 3.86266
105 4UUU SAM 3.87097
106 4XYM A12 3.91304
107 3SRV S19 3.97112
108 1O68 KIV 4
109 2Q4W FAD 4.00763
110 5ZQY AR6 4.01146
111 5AE2 FYC 4.02802
112 5AE2 FAD 4.02802
113 2FSH ANP 4.02802
114 4IP7 FLC 4.05157
115 3HRD FAD 4.05405
116 3W8X FAD 4.05983
117 3W8X FTK 4.05983
118 4XCZ T3Q 4.07674
119 1SJN DUP 4.11765
120 4DG8 AMP 4.20315
121 3HQP OXL 4.20842
122 1ZQ9 SAM 4.21053
123 1QH9 LAC 4.31034
124 5HTX ADP 4.32802
125 3PA8 621 4.33071
126 5YK1 ANP 4.42478
127 1B5E DCM 4.47154
128 1NE7 16G 4.49827
129 1P19 IMP 4.52489
130 4DE3 DN8 4.56274
131 4JWF SAH 4.60829
132 1VBO MAN MAN MAN 4.69799
133 4GV8 DUP 4.73373
134 2QK4 ATP 4.86726
135 2JFN GLU 4.91228
136 3CQL NAG 4.93827
137 4L9Z COA 5.01475
138 2JKY 5GP 5.16432
139 6GW4 CHO 5.21173
140 1L7N ALF 5.21327
141 5LX6 78P 5.2356
142 5F1V 3VN 5.38721
143 2DVZ GLU 5.41401
144 2F62 12M 5.59006
145 2F67 12B 5.59006
146 2F2T 5IQ 5.59006
147 3QVL 5HY 5.71429
148 2Z6J TUI 5.72289
149 4CQM NAP 5.7377
150 2YAB AMP 5.81717
151 4FG8 ATP 6.03175
152 4UXM BE7 6.06061
153 6F92 MVL 6.15183
154 5OSW DIU 6.17496
155 3B6C SDN 6.41026
156 3LL5 IP8 6.4257
157 6F3G CJN 6.44068
158 4DBH OXL 6.59722
159 1LOB MMA 6.62983
160 5LPB ADP 6.75676
161 6EK3 OUL 6.78733
162 2O1V ADP 7.00525
163 4P86 5GP 7.10383
164 6FYV 3NG 7.12166
165 3VGL ANP 7.16511
166 4Y0X ADP 7.46667
167 5LWY OLB 7.47664
168 4AUT FAD 7.47863
169 6AC9 ANP 7.56757
170 4P83 U5P 7.69231
171 4CFU 2WC 7.92079
172 6GUE FB8 7.94702
173 4BCQ TJF 7.97342
174 1FFU FAD 7.97546
175 1TLG GAL 8
176 4BCN T9N 8
177 4I67 G G G RPC 8.04598
178 4Y85 499 8.13253
179 1O5O U5P 8.1448
180 2O66 FLC 8.14815
181 4ZOH FAD 8.27338
182 5FBK TCR 8.27465
183 5WS9 OXL 8.42105
184 1N62 FAD 8.43373
185 2FT0 ACO 8.51064
186 2HJ4 PNZ 8.58726
187 6FHQ DE5 8.62069
188 4AML GYU 8.77193
189 1XTT U5P 8.7963
190 3HQ9 OXL 9.10683
191 2QCS ANP 9.14286
192 3MQ2 SAH 9.17431
193 2VZ6 FEF 9.26518
194 4RW3 SHV 9.27152
195 3TW1 AHN 9.2827
196 4PYA 2X3 9.31677
197 4AUA 4AU 9.63222
198 6H45 QEI 9.69388
199 2GQT FAD 9.70149
200 5V03 658 9.80392
201 2UV4 AMP 9.86842
202 5Y6Q FAD 9.87654
203 1LNX URI 9.87654
204 2VN9 GVD 9.96678
205 4Q5H ANP 10.3448
206 5LXT ACP 10.4895
207 5X2N ALA 11.0599
208 2IYF UDP 11.0843
209 1T3Q FAD 11.1111
210 6BR8 6OU 11.1111
211 1HSK FAD 11.3497
212 3M2W L8I 11.7057
213 4UP3 NDP 11.7834
214 1RM6 FAD 11.8012
215 2D3Y DU 11.8721
216 1MZV AMP 11.9149
217 3T95 PAV 11.9403
218 2O1C PPV 12
219 4D52 GXL 12.0635
220 3U7S 017 12.1212
221 5X8I SQZ 12.1387
222 3B7G ANP 12.1739
223 3KIF GDL 12.2642
224 1QB7 ADE 12.2881
225 3AB4 LYS 12.3596
226 6G33 5ID 12.3894
227 5Y2W PGA 12.3932
228 3VPB ADP 12.5
229 2MBR FAD 12.6471
230 2MBR EPU 12.6471
231 1W0H AMP 12.7451
232 4YVN EBS 13.0604
233 5CLO NS8 13.5593
234 4JLS 3ZE 16.4474
235 4HBM 0Y7 16.6667
236 3O0G 3O0 18.1208
237 4V1F BQ1 18.6047
238 3GGF GVD 20.598
239 4WB6 ATP 40
240 2FKA BEF 46.6667
Pocket No.: 2; Query (leader) PDB : 1F0X; Ligand: FAD; Similar sites found with APoc: 63
This union binding pocket(no: 2) in the query (biounit: 1f0x.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 1US5 GLU 1.59236
2 6F5W KG1 1.62602
3 4TO8 FLC 1.71233
4 4XFR CIT 2.10773
5 2JGV ADP 2.12121
6 1ODJ GMP 2.12766
7 5C9P FUC 2.3622
8 6HKE MLT 2.51572
9 2VAR AMP 2.55591
10 2VAR KDG 2.55591
11 2PX8 MGT 2.60223
12 5IM3 DTP 2.62697
13 3V2U GLA 2.96804
14 1U4J MAN 3.38983
15 5AHW CMP 3.40136
16 4BQS ADP 3.40909
17 5EFQ ADP 3.45821
18 5U83 ZN8 3.77358
19 4N14 WR7 3.82166
20 6FA4 GNP 4.04624
21 3B6O TMP 4.04858
22 4D86 ADP 4.09639
23 6D5E GNP 4.19162
24 6D59 GNP 4.19162
25 6D56 GNP 4.19162
26 6D55 GNP 4.19162
27 6BVM GNP 4.19162
28 6BVL GNP 4.19162
29 6D5G GNP 4.19162
30 6D5J GNP 4.19162
31 6D5L GNP 4.19162
32 6BVK GNP 4.19162
33 6BVI GNP 4.19162
34 6GZD LCI 4.27807
35 4BGB ADP 4.30769
36 4CIB 7UZ 4.3956
37 1P4A PCP 4.5614
38 2GEK GDP 4.72855
39 2F5X ASP 4.80769
40 5X8Q 82R 5.03876
41 6F4W FMC 5.15021
42 1OYJ GSH 5.62771
43 2QV6 GTP 5.97015
44 5WDR GNP 6.43275
45 3UEC ALA ARG TPO LYS 6.84932
46 6FMC DUE 6.96203
47 4JBL MET 7.66962
48 1RJW ETF 8.23117
49 1XVB BHL 8.23529
50 4P25 FUC GAL NAG FUC 8.27815
51 3BEO UDP 9.06667
52 5EZU MYR 10.1124
53 4X7Q 3YR 11.5385
54 2IDO TMP 12.0482
55 1I7A PHE 12.6126
56 1YZN GNP 18.3784
57 1M2Z BOG 19.0476
58 2JK0 ASP 20
59 1QAW TRP 21.6216
60 1WAP TRP 24
61 3OGN 3OG 25
62 3WFD AXO 25.3425
63 4OGQ 1O2 26.4706
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