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Receptor
PDB id Resolution Class Description Source Keywords
1B1C 1.93 Å EC: 1.6.2.4 CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMAN CYTOCHR REDUCTASE AT 1.93A RESOLUTION HOMO SAPIENS FLAVOPROTEIN CYTOCHROME P450 REDUCTASE P450 REDUCTASE FMNDOMAIN FMN OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMA CYTOCHROME P450 REDUCTASE AT 1.93 A RESOLUTION. PROTEIN SCI. V. 8 298 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:200;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
FMN A:190;
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
1B1C 1.93 Å EC: 1.6.2.4 CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMAN CYTOCHR REDUCTASE AT 1.93A RESOLUTION HOMO SAPIENS FLAVOPROTEIN CYTOCHROME P450 REDUCTASE P450 REDUCTASE FMNDOMAIN FMN OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMA CYTOCHROME P450 REDUCTASE AT 1.93 A RESOLUTION. PROTEIN SCI. V. 8 298 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1B1C - FMN C17 H21 N4 O9 P 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 3 families.
1 1B1C - FMN C17 H21 N4 O9 P 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 2 families.
1 1B1C - 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 : 1B1C; Ligand: FMN; Similar sites found with APoc: 180
This union binding pocket(no: 1) in the query (biounit: 1b1c.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5DQY BEZ None
2 4B9E FAH 1.10497
3 5CEO 50D 1.10497
4 2W5P CL8 1.34228
5 2B3D FAD 1.65746
6 3WCS MAN NAG 1.65746
7 3WCS MAN NAG GAL 1.65746
8 6BYF CIT 1.76471
9 2YG3 FAD 2.20994
10 2PS1 ORO 2.20994
11 3WXB NDP 2.20994
12 5XG5 A2G 2.75862
13 5EOO CIT 2.76243
14 5ZYN FAD 2.76243
15 4R5M 4NO 2.76243
16 4R5M NAP 2.76243
17 3N9R TD3 2.76243
18 2POC BG6 2.76243
19 1I36 NAP 2.76243
20 5YB7 FAD 2.76243
21 4N65 FMN 2.83019
22 4N65 AQN 2.83019
23 5D63 FUC GLA GLA 3.31492
24 3THR C2F 3.31492
25 4LTN FMN 3.31492
26 4LTN NAI 3.31492
27 1LJ8 NAD 3.31492
28 1M2W NAD 3.31492
29 1XVV CCQ 3.31492
30 1KSK URA 3.31492
31 4R81 FMN 3.31492
32 4IF4 BEF 3.31492
33 1BO4 COA 3.57143
34 4C0X AQN 3.8674
35 2FJK 13P 3.8674
36 5IFK HPA 3.8674
37 1LCF OXL 3.8674
38 3LGS ADE 3.8674
39 4C0X FMN 3.8674
40 2OYS FMN 3.8674
41 5KOX RFP 3.8674
42 3H55 GLA 3.8674
43 5TS5 FAD 3.8674
44 2IID PHE 3.8674
45 2IID FAD 3.8674
46 6ACS CIT 3.8674
47 5KOX FAD 3.8674
48 5HP8 PYR 4.03226
49 2YIP YIO 4.34783
50 3WUC GLC GAL 4.37956
51 1E5D FMN 4.41989
52 2Y91 98J 4.41989
53 4PPF FLC 4.41989
54 3S6X SIA GAL BGC 4.41989
55 2WHX ADP 4.41989
56 1G6H ADP 4.41989
57 3VPD CIT 4.41989
58 4G9N NGA 4.8951
59 4YQE FMN 4.97238
60 4YQE PLQ 4.97238
61 5WS9 AMP 4.97238
62 3MYU VIB 4.97238
63 6FOG OXL 4.97238
64 2BSA NAP 4.97238
65 5O2J 2PO 4.97238
66 6HKE MLT 5.03145
67 3N39 FMN 5.22876
68 2FKA BEF 5.42636
69 3FGZ BEF 5.46875
70 5LMC FMN 5.52486
71 2AWN ADP 5.52486
72 1FEC FAD 5.52486
73 1TE2 PGA 5.52486
74 4IP7 FBP 5.52486
75 2W58 ADP 5.52486
76 5H9Y BGC BGC BGC BGC BGC 5.52486
77 3LRE ADP 5.52486
78 2VMG MBG 5.73248
79 4OWK NGA 5.7971
80 1L5Y BEF 5.80645
81 3KDM TES 6.07735
82 1GOJ ADP 6.07735
83 1LYX PGA 6.07735
84 5MJI 7O6 6.07735
85 1X9I G6Q 6.07735
86 5HV7 RBL 6.07735
87 2F6U CIT 6.07735
88 1VMK GUN 6.07735
89 3AB4 THR 6.17978
90 2VHW NAI 6.62983
91 4BLW AMP 6.62983
92 4BLW SAH 6.62983
93 2INV FRU FRU 6.62983
94 4CUB GAL NAG 6.62983
95 1FMB HYB 6.73077
96 1NME 159 6.84932
97 4KCT FDP 7.18232
98 1T5B FMN 7.18232
99 4GLW NMN 7.18232
100 4C2W ANP 7.18232
101 5EPO NAP 7.18232
102 3HUN ZZ7 7.18232
103 1RLJ FMN 7.19424
104 5F90 GLA GAL 7.69231
105 5F90 LMR 7.69231
106 4B2D FBP 7.73481
107 3FPF MTA 7.73481
108 3FPF TNA 7.73481
109 1PR9 NAP 7.73481
110 1ZGS XMM 7.73481
111 2CCV A2G 7.92079
112 1SC3 MLI 7.95455
113 5N18 8HZ 8.25688
114 2Z9C FMN 8.28729
115 2Z9C DTC 8.28729
116 5L2R MLA 8.28729
117 4ZRN UPG 8.28729
118 4ZRN NAD 8.28729
119 3HQP FDP 8.28729
120 3B4Y F42 8.28729
121 1O5O U5P 8.83978
122 5ZBC FAD 8.83978
123 4AMV F6R 8.83978
124 1Z0N BCD 9.375
125 6FRN FMN 9.39227
126 2OG7 AHB 9.39227
127 5G3U FDA 9.39227
128 5G3U ITW 9.39227
129 2RI1 GLP 9.39227
130 2Q9U FMN 9.94475
131 3ITJ CIT 9.94475
132 1SQL GUN 10.274
133 3GFS FMN 10.3448
134 2OHH FMN 10.4972
135 1KOJ PAN 10.4972
136 1GPJ CIT 10.4972
137 2ZAT NAP 11.0497
138 4PTZ FMN 11.6022
139 1T0I FMN 12.1547
140 1RYO OXL 12.1547
141 4X1B MLI 12.1547
142 2VT3 ATP 12.1547
143 1RJW ETF 12.1547
144 3LN9 FLC 12.2302
145 2CXS F6P 12.7072
146 4D42 NAP 12.7072
147 4D42 W0I 12.7072
148 4QM7 GTP 12.8655
149 5F7U GLC GLC 13.2597
150 4TQK NAG 15.4696
151 3KVY URA 16.5746
152 4UP4 GAL NAG 17.1271
153 4UP4 NAG 17.1271
154 4UP4 NDG 17.1271
155 4WZ6 ATP 17.1271
156 2PZE ATP 17.1271
157 4N82 FMN 17.9775
158 2WZF BGC 19.8895
159 3IWD M2T 22.0588
160 2O2C G6Q 23.7569
161 1AG9 FMN 25.1429
162 2FCR FMN 26.0116
163 5K9B FMN 27.2222
164 4BMO FMN 30.2521
165 5NUL FMN 30.4348
166 2WC1 FMN 30.9392
167 5VEG FMN 32.0225
168 6EBQ FMN 33.125
169 1OBV FMN 35.503
170 1CZR FMN 37.8698
171 3KAP FMN 40.1361
172 3F6R FMN 40.5405
173 6GAQ FMN 41.5584
174 6FSG FMN 42.1769
175 4HEQ FMN 45.2055
176 4OXX FMN 45.679
177 5LJI FMN 45.9459
178 1AKV FMN 46.9388
179 1BVY FMN 46.9613
180 1TLL FMN 48.0663
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