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Receptor
PDB id Resolution Class Description Source Keywords
1RLJ 2 Å NON-ENZYME: OTHER STRUCTURAL GENOMICS, A FLAVOPROTEIN NRDI FROM BACILLUS SUBTILIS BACILLUS SUBTILIS FLAVOPROTEIN FMN THIOREDOXIN ALPHA/BETA/ALPHA SANDWICH STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURAL GENOMICS MCSG UNKNOWN FUNCTION
Ref.: 1.5A CRYSTAL STRUCTURE OF A THIOREDOXIN-LIKE PROTEIN NRDI FROM BACILLUS SUBTILIS TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:151;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
IOD A:152;
A:153;
Invalid;
Invalid;
none;
none;
submit data
126.904 I [I-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RLJ 2 Å NON-ENZYME: OTHER STRUCTURAL GENOMICS, A FLAVOPROTEIN NRDI FROM BACILLUS SUBTILIS BACILLUS SUBTILIS FLAVOPROTEIN FMN THIOREDOXIN ALPHA/BETA/ALPHA SANDWICH STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURAL GENOMICS MCSG UNKNOWN FUNCTION
Ref.: 1.5A CRYSTAL STRUCTURE OF A THIOREDOXIN-LIKE PROTEIN NRDI FROM BACILLUS SUBTILIS TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 1RLJ - 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 1205 families.
1 1RLJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1RLJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2XOD - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 2XOE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2X2O - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 2X2P - 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 : 1RLJ; Ligand: FMN; Similar sites found with APoc: 106
This union binding pocket(no: 1) in the query (biounit: 1rlj.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZZQ TRP None
2 1T5B FMN None
3 3ZZL TRP None
4 1TE2 PGA None
5 5WHT SIA GAL None
6 3IWD M2T None
7 3JUC PCA None
8 3T1O GDP None
9 3LN9 FLC 1.43885
10 2J0W ASP 2.15827
11 2W5P CL8 2.68456
12 4R2I ANP 2.8777
13 4RHS SIA SIA GAL 3.27869
14 4PTZ FMN 3.59712
15 3HQP FDP 3.59712
16 2P4Y C03 3.59712
17 5J60 FAD 3.59712
18 1CZR FMN 4.31655
19 6FRN FMN 4.31655
20 4LTN FMN 4.31655
21 4LTN NAI 4.31655
22 4KCT FDP 4.31655
23 1G6H ADP 4.31655
24 5GVR LMR 4.31655
25 6F3M NAD 4.31655
26 5GXU FMN 5.03597
27 1BVY FMN 5.03597
28 1RYO OXL 5.03597
29 1CX9 NHP 5.03597
30 6GNA FAD 5.03597
31 3TW1 AHN 5.03597
32 2VVL FAD 5.03597
33 2VVM FAD 5.03597
34 4U00 ADP 5.03597
35 1OBV FMN 5.7554
36 1E5D FMN 5.7554
37 4C0X AQN 5.7554
38 4C0X FMN 5.7554
39 1L5J TRA 5.7554
40 3ENV ABF 5.7554
41 2Z9C FMN 6.47482
42 2Z9C DTC 6.47482
43 2D2F ADP 6.47482
44 2GMM MAN MAN 6.47482
45 1GET NAP 6.47482
46 2GN3 MMA 6.47482
47 1XTT U5P 6.47482
48 3F6R FMN 7.19424
49 5FA6 FMN 7.19424
50 5FA6 NAP 7.19424
51 5FA6 FAD 7.19424
52 1B1C FMN 7.19424
53 3WG6 NDP 7.19424
54 1NXJ GLV 7.19424
55 6FP4 FAD 7.91367
56 5TTJ FAD 7.91367
57 2Z48 A2G 8.63309
58 5NTP 98E 8.63309
59 4U8P FDA 8.63309
60 4U8P UDP 8.63309
61 2VT3 ATP 8.63309
62 5NII FAD 8.63309
63 1JJ7 ADP 8.63309
64 3S2Y FMN 9.35252
65 5LMC FMN 10.0719
66 4AZ3 S35 10.0719
67 6BYF CIT 10.0719
68 4P4M D3T 10.0719
69 4QYS PLP SEP 10.0719
70 1WD4 AHR 10.7914
71 3P7G MAN 10.7914
72 3GFS FMN 11.5108
73 2OHH FMN 11.5108
74 4N65 AQN 11.5108
75 3W9F I3P 11.5108
76 4N65 FMN 11.5108
77 5IFK HPA 11.5108
78 4J36 1HR 11.5108
79 4J36 FAD 11.5108
80 3R4S SLB 12.2302
81 6CUZ FEV 12.2302
82 6AM8 PLT 12.2302
83 6AMI TRP 12.2302
84 4R81 FMN 12.2302
85 3FJO FMN 12.9496
86 1LCF OXL 13.6691
87 4YQE FMN 14.3885
88 4YQE PLQ 14.3885
89 2FCR FMN 15.8273
90 5M67 NAD 15.8273
91 5M67 ADE 15.8273
92 1AG9 FMN 17.9856
93 4H2D FMN 18.1818
94 1TLL FMN 18.705
95 3H0L ADP 18.705
96 3KAP FMN 19.4245
97 3QPB URA 20.1439
98 4U36 TNR 21.5827
99 5K9B FMN 23.0216
100 3QFA FAD 24.1379
101 1AKV FMN 24.4604
102 4HEQ FMN 26.6187
103 1T0I FMN 27.3381
104 2HQM FAD 28.777
105 5NUL FMN 28.9855
106 4N82 FMN 45.3237
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