Receptor
PDB id Resolution Class Description Source Keywords
1CZU 2 Å NON-ENZYME: TRANSPORT REFINED STRUCTURES OF OXIDIZED FLAVODOXIN FROM ANACYSTIS NID SYNECHOCOCCUS ELONGATUS FLAVODOXIN FMN BINDING REDOX POTENTIAL CRYSTAL PACKING ETRANSPORT
Ref.: REFINED STRUCTURES OF OXIDIZED FLAVODOXIN FROM ANAC NIDULANS. J.MOL.BIOL. V. 294 711 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:170;
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
1CZR 1.9 Å NON-ENZYME: TRANSPORT COMPARISONS OF WILD TYPE AND MUTANT FLAVODOXINS FROM ANACYST NIDULANS. STRUCTURAL DETERMINANTS OF THE REDOX POTENTIALS. SYNECHOCOCCUS ELONGATUS FLAVODOXIN REDOX POTENTIAL FMN BINDING ELECTRON TRANSPORT
Ref.: COMPARISONS OF WILD-TYPE AND MUTANT FLAVODOXINS FRO ANACYSTIS NIDULANS. STRUCTURAL DETERMINANTS OF THE POTENTIALS. J.MOL.BIOL. V. 294 725 1999
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 1D03 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1CZK Kd = 1.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1CZN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1D04 Kd = 0.38 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1CZU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1OFV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 1CZL Kd = 1.4 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1CZH Kd = 3.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 1CZO Kd = 0.35 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1CZR Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 3ESY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1OBV Kd = 1.04 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1RCF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2V5V Kd = 4.8 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1OBO Kd = 6.72 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1FLV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 3ESX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 3ESZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 2V5U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 5LJP Ka = 83000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 1D03 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 1CZK Kd = 1.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 1CZN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 1D04 Kd = 0.38 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 1CZU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 1OFV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 1CZL Kd = 1.4 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 1CZH Kd = 3.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 1CZO Kd = 0.35 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1CZR Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2WC1 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3ESY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1OBV Kd = 1.04 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1RCF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 2V5V Kd = 4.8 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1OBO Kd = 6.72 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 1FLV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 3ESX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 3ESZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2V5U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 5LJP Ka = 83000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 2FCR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 1YOB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 5K9B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 1D03 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 1CZK Kd = 1.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 1CZN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 1D04 Kd = 0.38 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 1CZU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1OFV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 1CZL Kd = 1.4 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 1CZH Kd = 3.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
23 1CZO Kd = 0.35 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 1CZR Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
25 2BMV - BEN C7 H8 N2 [H]/N=C(c1....
26 1FUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
27 1AG9 Ki = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAS 0.543307 0.876543
5 FAD 0.543307 0.876543
6 FAE 0.539062 0.865854
7 DAL FAD PER 0.5 0.833333
8 LFN 0.475 0.643836
9 C3F 0.473684 0.74359
10 CF4 0.463918 0.734177
11 FAY 0.446043 0.864198
12 FNR 0.444444 0.909091
13 RFL 0.442857 0.845238
14 4LS 0.411215 0.875
15 1VY 0.406593 0.769231
16 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CZR; Ligand: FMN; Similar sites found: 84
This union binding pocket(no: 1) in the query (biounit: 1czr.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4PTZ FMN 0.0008884 0.44298 None
2 2FJK 13P 0.006482 0.42098 None
3 1KNM LAT 0.009375 0.41142 None
4 2OYS FMN 0.00337 0.40426 None
5 1X9I G6Q 0.003775 0.42772 1.18343
6 4OWK NGA 0.004617 0.4472 2.17391
7 4N82 FMN 0.0000000004639 0.71851 2.36686
8 3QH2 3NM 0.01329 0.41459 2.36686
9 3S2Y FMN 0.006591 0.40128 2.36686
10 2XOD FMN 0.000000001651 0.66866 2.52101
11 5DQY BEZ 0.01106 0.41969 2.85714
12 2O2C G6Q 0.002028 0.43141 2.95858
13 3N9R TD3 0.006233 0.4218 2.95858
14 1G8S MET 0.01823 0.41124 2.95858
15 3N29 GOL 0.02575 0.40792 2.95858
16 5IXJ THR 0.01498 0.40076 2.95858
17 4KCT FDP 0.0006012 0.46525 3.5503
18 4UP4 NDG 0.001862 0.46247 3.5503
19 4UP4 NAG 0.001862 0.46247 3.5503
20 3WMX THR 0.01615 0.42541 3.5503
21 2WZF BGC 0.01218 0.41662 3.5503
22 5E5U MLT 0.02714 0.40553 3.5503
23 4CP8 MLI 0.02239 0.40533 3.5503
24 2CXS F6P 0.003305 0.40442 3.5503
25 3L6R MLI 0.02765 0.40146 3.5503
26 4WOH 4NP 0.004919 0.423 3.61446
27 1BVY FMN 0.0000000001765 0.69088 4.14201
28 4B2D FBP 0.001108 0.44318 4.14201
29 3HQP FDP 0.003599 0.43332 4.14201
30 1RLJ FMN 0.000000001082 0.70238 4.31655
31 3LN9 FLC 0.00003904 0.56081 4.31655
32 3GFS FMN 0.0001567 0.49271 4.73373
33 4IP7 FBP 0.001056 0.44413 4.73373
34 5TP0 BRN 0.005846 0.4357 4.73373
35 5GVR LMR 0.02362 0.40921 4.73373
36 1RM8 BAT 0.02135 0.40406 4.73373
37 1WQ1 AF3 0.01949 0.40513 4.81928
38 3AJ6 NGA 0.01594 0.414 5.32544
39 3L6C MLI 0.02012 0.40543 5.32544
40 2X8S AHR AHR AHR 0.02122 0.40419 5.32544
41 3QDW NDG 0.02536 0.40122 5.59441
42 3N39 FMN 0.00000007165 0.56716 5.88235
43 2OHH FMN 0.00002197 0.47965 5.91716
44 1HGX 5GP 0.01544 0.40685 5.91716
45 4X1B MLI 0.0367 0.40501 5.91716
46 3VC3 C6P 0.01039 0.4026 5.91716
47 1BO4 COA 0.01691 0.4008 5.95238
48 2POC BG6 0.008408 0.40738 6.50888
49 3T5M AMP 0.02469 0.40294 6.50888
50 4L77 CNL 0.0255 0.4001 6.50888
51 2OQ5 BEN 0.01576 0.41306 7.10059
52 3I7S PYR 0.02765 0.40078 7.10059
53 4LTN FMN 0.0008337 0.43348 7.69231
54 4LTN NAI 0.0008565 0.42142 7.69231
55 1VB3 KPA 0.01617 0.41024 7.69231
56 1TLL FMN 0.0000000001761 0.74096 8.87574
57 4BMO FMN 0.000000008334 0.57944 8.87574
58 1T0I FMN 0.0002618 0.46146 8.87574
59 5HV7 RBL 0.0236 0.42388 9.46746
60 4PPF FLC 0.01393 0.42251 9.46746
61 4M51 BEZ 0.02702 0.40477 9.46746
62 4H2D FMN 0.0000000003069 0.71598 9.69697
63 4ZGR NGA GAL 0.02607 0.40287 9.96169
64 5GXU FMN 0.00000000004098 0.75351 10.0592
65 1E5D FMN 0.00003005 0.46643 11.2426
66 1T5B FMN 0.0003052 0.4586 11.2426
67 4LO2 GAL BGC 0.007997 0.43456 11.2426
68 2Z9C FMN 0.000378 0.44765 11.8343
69 3R4S SLB 0.0219 0.40722 11.8343
70 4G9N NGA 0.01543 0.42151 11.8881
71 3HP9 CF1 0.01946 0.41034 12.426
72 1LYX PGA 0.007943 0.40851 12.426
73 4C0X FMN 0.0007257 0.40388 13.6095
74 2OG7 AHB 0.01274 0.41757 15.9763
75 1GUZ NAD 0.01374 0.40122 15.9763
76 3KO0 TFP 0.008601 0.4286 16.8317
77 1A0J BEN 0.01777 0.40945 17.7515
78 2Q9U FMN 0.00001174 0.51932 22.4852
79 1KOJ PAN 0.003102 0.408 25.4438
80 4OXX FMN 0.0000000003251 0.71491 29.6296
81 5LJI FMN 0.000000009812 0.66981 35.8108
82 3FJO FMN 0.0000000001774 0.70751 37.2781
83 1B1C FMN 0.0000000000843 0.74007 37.8698
84 4HEQ FMN 0.0000000001054 0.73591 45.2055
Feedback