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Receptor
PDB id Resolution Class Description Source Keywords
1FLD 1.8 Å NON-ENZYME: TRANSPORT CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: G57T OXIDIZED CLOSTRIDIUM BEIJERINCKII ELECTRON TRANSPORT FLAVOPROTEIN FMN
Ref.: CONTROL OF OXIDATION-REDUCTION POTENTIALS IN FLAVODOXIN FROM CLOSTRIDIUM BEIJERINCKII: THE ROLE OF CONFORMATION CHANGES. BIOCHEMISTRY V. 36 1259 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:139;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5NUL 1.6 Å NON-ENZYME: TRANSPORT CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: G57T SEMIQUINONE (150K) CLOSTRIDIUM BEIJERINCKII ELECTRON TRANSPORT FLAVOPROTEIN FMN
Ref.: CONTROL OF OXIDATION-REDUCTION POTENTIALS IN FLAVODOXIN FROM CLOSTRIDIUM BEIJERINCKII: THE ROLE OF CONFORMATION CHANGES. BIOCHEMISTRY V. 36 1259 1997
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5ULL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4NLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 3NLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2FAX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 5NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 2FLV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1FVX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 2FVX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1FLN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 6NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 2FDX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 5NLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 2FOX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 1FLD - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 1FLA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 5ULL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4NLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 3NLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2FAX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 5NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 2FLV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1FVX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 2FVX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1FLN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 6NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 2FDX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 5NLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 2FOX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 1FLD - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 1FLA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 3KAQ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3KAP Kd = 0.1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 5YOG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1C7E Kd = 505 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1WSB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 3FX2 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 5YOB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1J9E - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 1BU5 - RBF C17 H20 N4 O6 Cc1cc2c(cc....
10 1AKR Kd = 0.82 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 1AKW Kd = 2.6 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 5YOE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 1C7F Kd = 0.3 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 1XT6 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 1XYV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 1AKQ Kd = 0.79 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 1WSW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 1AZL Kd = 2.4 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 5YOC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1AKU Kd = 746 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 2FX2 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 5FX2 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
23 1AKV Kd = 0.0026 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 1J8Q - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
25 1XYY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
26 1FX1 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
27 1J9G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
28 1AKT Kd = 3.2 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
29 1I1O - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
30 1F4P - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
31 4FX2 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
32 6FT1 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
33 6FSG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
34 6FSI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
35 3NLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
36 2FAX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
37 5NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
38 2FLV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
39 4NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
40 1FVX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
41 2FVX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
42 1FLN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
43 6NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
44 2FDX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
45 5NLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
46 2FOX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
47 1FLD - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
48 1FLA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
49 6GAQ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50 4HEQ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
51 3F6R - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
52 3F6S - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5NUL; Ligand: FMN; Similar sites found with APoc: 200
This union binding pocket(no: 1) in the query (biounit: 5nul.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4LTN NAI None
2 4LTN FMN None
3 6BYF CIT None
4 4WOH 4NP None
5 4JLS 3ZE None
6 3QH2 3NM None
7 2PS1 ORO None
8 2I3G NAP None
9 1XXA ARG None
10 2X2T GAL NGA 1.44928
11 1QRD FAD 2.17391
12 3CEV ARG 2.17391
13 5H68 AGS 2.17391
14 1Z83 AP5 2.17391
15 5XDT MB3 2.27273
16 2PZE ATP 2.89855
17 3JSX CC2 2.89855
18 2GDJ ANP 2.89855
19 3UXH FAD 2.89855
20 3UXH UXH 2.89855
21 3JSX FAD 2.89855
22 4IP7 FBP 2.89855
23 4GLW NMN 2.89855
24 3L9W FMN 2.89855
25 1GXU 2HP 3.2967
26 3LN9 FLC 3.62319
27 5YV5 ADP 3.62319
28 5H4S RAM 3.62319
29 5HV7 RBL 3.62319
30 1M7G ADX 3.62319
31 1M7G ADP 3.62319
32 2Z49 AMG 3.62319
33 3N39 FMN 4.34783
34 3DC4 ADP 4.34783
35 2F5X ASP 4.34783
36 4FRZ ADP 4.34783
37 5AHN IMP 4.34783
38 1R0X ATP 4.34783
39 2DVZ GLU 4.34783
40 4XFR CIT 4.34783
41 1UPF URF 4.34783
42 3L6C MLI 4.34783
43 5GVR LMR 4.34783
44 1VB3 KPA 4.34783
45 1T5C ADP 5.07246
46 5WS9 AMP 5.07246
47 4GNC ASO 5.07246
48 3S2Y FMN 5.07246
49 4RF7 ARG 5.07246
50 4PYA 2X3 5.07246
51 2WHX ADP 5.07246
52 1O5O U5P 5.07246
53 5XG5 A2G 5.07246
54 2D2F ADP 5.7971
55 1G8S MET 5.7971
56 4WZ6 ATP 5.7971
57 4HE2 AMP 5.7971
58 2OFW ADX 5.7971
59 1G4U AF3 5.7971
60 2WPF FAD 5.7971
61 2WPF WPF 5.7971
62 1XX6 ADP 5.7971
63 1F9V ADP 5.7971
64 3ITJ CIT 5.7971
65 5ZXD ATP 5.7971
66 2QQ0 ANP 5.7971
67 2QQ0 ADP 5.7971
68 2QQ0 TMP 5.7971
69 2RCN GDP 5.7971
70 5YRL GLC GLC 5.7971
71 5YRJ BGC GLC 5.7971
72 5YRM BGC GLC 5.7971
73 5YRG BGC GLC 5.7971
74 5G6U TRP 5.7971
75 3T5M AMP 5.7971
76 4LYA ATP 5.7971
77 4WEI GLC GAL 6.52174
78 1FDJ 13P 6.52174
79 2CBZ ATP 6.52174
80 1V8K ANP 6.52174
81 2CJW GDP 6.52174
82 1JNR FAD 6.52174
83 3SVL FMN 6.52174
84 4YJ1 ADP 6.52174
85 3GJX GTP 6.52174
86 4LEB THR THR THR THR THR THR THR 6.52174
87 3H4S ADP 6.66667
88 3K0T BGC 6.99301
89 1CX9 NHP 7.24638
90 3LRE ADP 7.24638
91 3L6R MLI 7.24638
92 1U0J ADP 7.24638
93 3WYG GTP 7.24638
94 3RC3 ANP 7.24638
95 3WYF GTP 7.24638
96 3CTY FAD 7.24638
97 3HP8 SUC 7.27273
98 4PTZ FMN 7.97101
99 4PPF FLC 7.97101
100 3NHB ADP 7.97101
101 1YQT ADP 7.97101
102 4KFU ACP 7.97101
103 3HQP FDP 7.97101
104 4KCT FDP 7.97101
105 2J5V PCA 7.97101
106 1E1M NAP 7.97101
107 1E1M FAD 7.97101
108 1X9I G6Q 7.97101
109 3ZFD ANP 7.97101
110 1HTW ADP 7.97101
111 2Z9C DTC 8.69565
112 2Z9C FMN 8.69565
113 2NCD ADP 8.69565
114 6AM8 TRP 8.69565
115 6AM8 PLT 8.69565
116 6AMI TRP 8.69565
117 6CUZ FEV 8.69565
118 1OS1 PYR 8.69565
119 1OS1 ATP 8.69565
120 1RYI FAD 8.69565
121 4N65 AQN 9.42029
122 4N65 FMN 9.42029
123 3FJO FMN 9.42029
124 6EBQ FMN 9.42029
125 1BVY FMN 9.42029
126 5GXU FMN 9.42029
127 3EWA ANP 9.42029
128 2Q8M AMP 9.42029
129 2JK0 ASP 9.42029
130 1BH2 GSP 9.42029
131 4B2D FBP 10.1449
132 1H82 FAD 10.1449
133 4RFM 3P6 10.1449
134 1QF9 ALF 10.1449
135 1QF9 ADP 10.1449
136 1QF9 C5P 10.1449
137 1T57 FMN 10.1449
138 4CP8 MLI 10.1449
139 1T5B FMN 10.8696
140 2HYQ MAN MAN 10.8696
141 4AG5 ADP 10.8696
142 1N62 MCN 10.8696
143 1BZL GCG 10.8696
144 2VAP GDP 10.8696
145 2NU5 NAG 10.8696
146 5MJI 7O6 11.5942
147 2OYS FMN 11.5942
148 2VVG ADP 11.5942
149 2AWN ADP 11.5942
150 3LTW HLZ 12.3188
151 4BHL ARG 12.3188
152 5E5U MLI 12.3188
153 3X1Z GNP 12.3188
154 2B3D FAD 13.0435
155 2OG2 MLI 13.0435
156 1BG2 ADP 13.0435
157 2XT3 ADP 13.0435
158 3B9Q MLI 13.0435
159 3AB4 THR 13.0435
160 4R2I ANP 13.0435
161 4C0X FMN 13.7681
162 4C0X AQN 13.7681
163 2J0W ASP 13.7681
164 1T9D P22 13.7681
165 3GFS FMN 14.4928
166 1GOJ ADP 14.4928
167 4OWK NGA 14.4928
168 5O74 GDP 14.4928
169 4H2D FMN 14.5455
170 5TSH ADP 15.2174
171 6A20 ADP 15.942
172 3AKI AH8 15.942
173 5ZBR ANP 15.942
174 1KNM LAT 16.9231
175 4N82 FMN 17.3913
176 1RRC ADP 18.1159
177 2Y65 ADP 18.1159
178 4PTN PYR 19.5652
179 1VBO MAN MAN MAN 19.5652
180 1TLL FMN 20.2899
181 6FRN FMN 23.1884
182 2Q9U FMN 25.3623
183 2KIN ADP 26
184 1RLJ FMN 28.9855
185 4OXX FMN 28.9855
186 4R81 FMN 29.7101
187 5FA6 NAP 30.4348
188 5FA6 FAD 30.4348
189 5FA6 FMN 30.4348
190 1B1C FMN 30.4348
191 1O94 ADP 30.4348
192 5K9B FMN 31.8841
193 4YQE PLQ 32.6087
194 4YQE FMN 32.6087
195 2WC1 FMN 32.6087
196 5VEG FMN 37.6812
197 4BMO FMN 38.6555
198 5LJI FMN 44.2029
199 1E5D FMN 44.9275
200 2OHH FMN 48.5507
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