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Receptor
PDB id Resolution Class Description Source Keywords
5LJI 2.07 Å NON-ENZYME: OTHER STREPTOCOCCUS PNEUMONIA TIGR4 FLAVODOXIN: STRUCTURAL AND BIO CHARACTERIZATION OF A NOVEL DRUG TARGET STREPTOCOCCUS PNEUMONIAE FLAVODOXIN PROTEIN STABILITY FMN BINDING DRUG TARGET STREPTOCOCCUS PNEUMONIAE OXIDOREDUCTASE
Ref.: STREPTOCOCCUS PNEUMONIAE TIGR4 FLAVODOXIN: STRUCTUR BIOPHYSICAL CHARACTERIZATION OF A NOVEL DRUG TARGET PLOS ONE V. 11 61020 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA C:202;
C:206;
C:204;
A:203;
C:205;
A:202;
C:203;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
FMN A:201;
C:201;
Valid;
Valid;
none;
none;
Kd = 83 nM
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5LJI 2.07 Å NON-ENZYME: OTHER STREPTOCOCCUS PNEUMONIA TIGR4 FLAVODOXIN: STRUCTURAL AND BIO CHARACTERIZATION OF A NOVEL DRUG TARGET STREPTOCOCCUS PNEUMONIAE FLAVODOXIN PROTEIN STABILITY FMN BINDING DRUG TARGET STREPTOCOCCUS PNEUMONIAE OXIDOREDUCTASE
Ref.: STREPTOCOCCUS PNEUMONIAE TIGR4 FLAVODOXIN: STRUCTUR BIOPHYSICAL CHARACTERIZATION OF A NOVEL DRUG TARGET PLOS ONE V. 11 61020 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5LJI Kd = 83 nM 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 5LJI Kd = 83 nM 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 1039 families.
1 5LJI Kd = 83 nM 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 : 5LJI; Ligand: FMN; Similar sites found with APoc: 117
This union binding pocket(no: 1) in the query (biounit: 5lji.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5FUI APY None
2 1M7G ADP None
3 1M7G ADX None
4 1G6H ADP None
5 4N65 AQN 1.35135
6 4N65 FMN 1.35135
7 2Z9C DTC 2.7027
8 2Z9C FMN 2.7027
9 2FJK 13P 2.7027
10 3GFS FMN 3.37838
11 1GET FAD 3.37838
12 1GET NAP 3.37838
13 4R81 FMN 3.37838
14 4NFE BEN 3.37838
15 1KOJ PAN 3.37838
16 2J5V PCA 4.05405
17 1XX6 ADP 4.05405
18 3N9R TD3 4.05405
19 1LVK MNT BEF 4.05405
20 1JJ7 ADP 4.05405
21 2CXS F6P 4.05405
22 4C0X AQN 4.72973
23 4C0X FMN 4.72973
24 2OG2 MLI 4.72973
25 3S2Y FMN 4.72973
26 2D2F ADP 4.72973
27 3B9Q MLI 4.72973
28 4GID 0GH 4.72973
29 6FP4 E1T 4.72973
30 6FP4 FAD 4.72973
31 2OFW ADX 4.72973
32 5VN0 NAI 4.72973
33 2JK0 ASP 4.72973
34 4LY9 1YY 4.72973
35 2VVG ADP 4.72973
36 1T5B FMN 6.08108
37 5BSH PRO 6.08108
38 1E1M FAD 6.08108
39 1E1M NAP 6.08108
40 3ITJ CIT 6.08108
41 5XK9 DMA 6.08108
42 1GTE FAD 6.08108
43 1CX9 NHP 6.75676
44 6AMI TRP 6.75676
45 2W5P CL8 6.75676
46 2WOX NDP 6.75676
47 6CUZ FEV 6.75676
48 6AM8 PLT 6.75676
49 4U00 ADP 6.75676
50 5LMC FMN 7.43243
51 4LTN FMN 7.43243
52 1G8S MET 7.43243
53 4LTN NAI 7.43243
54 2Y65 ADP 7.43243
55 2KIN ADP 7.43243
56 1BG2 ADP 7.43243
57 3HQP FDP 8.10811
58 5NII FAD 8.10811
59 3L6R MLI 8.10811
60 3KDM TES 8.10811
61 1T0I FMN 8.10811
62 3HP9 CF1 8.10811
63 3L6C MLI 8.78378
64 2C7G ODP 9.45946
65 2C7G FAD 9.45946
66 4YMU ATP 9.45946
67 1VB3 KPA 9.45946
68 5LP1 71H 9.45946
69 2F5X ASP 10.1351
70 2AWN ADP 10.1351
71 5TS5 FAD 10.1351
72 1JNR FAD 10.8108
73 1KOR ANP 11.4865
74 1T5C ADP 11.4865
75 2OHH FMN 12.1622
76 6FRN FMN 12.8378
77 3BLI PYR 12.8378
78 4YQE FMN 13.5135
79 4YQE PLQ 13.5135
80 1FDJ 13P 13.5135
81 2O2C G6Q 13.5135
82 1NHK CMP 13.8889
83 4PTZ FMN 14.1892
84 1TLL FMN 14.1892
85 1WD4 AHR 14.1892
86 5WS9 AMP 14.1892
87 1J0D 5PA 14.1892
88 3AB4 THR 16.2162
89 4UP4 NAG 16.2162
90 4UP4 NDG 16.2162
91 4OPC PGT 17.5676
92 5X7Q GLC GLC GLC 17.5676
93 5X7Q GLC GLC GLC GLC 17.5676
94 3IWD M2T 19.1176
95 4KCT FDP 19.5946
96 1E6E FAD 21.875
97 5GXU FMN 29.0541
98 3N39 FMN 31.7568
99 4N82 FMN 34.4595
100 1OBV FMN 34.4595
101 2FCR FMN 35.8108
102 1CZR FMN 35.8108
103 5K9B FMN 36.4865
104 4H2D FMN 37.1622
105 1AG9 FMN 37.8378
106 3FJO FMN 37.8378
107 1E5D FMN 39.8649
108 1BVY FMN 41.8919
109 3F6R FMN 43.2432
110 5NUL FMN 44.2029
111 1AKV FMN 44.2177
112 5FA6 FAD 44.5946
113 5FA6 NAP 44.5946
114 5FA6 FMN 44.5946
115 1B1C FMN 45.9459
116 3KAP FMN 46.9388
117 4HEQ FMN 49.3151
Pocket No.: 2; Query (leader) PDB : 5LJI; Ligand: FMN; Similar sites found with APoc: 8
This union binding pocket(no: 2) in the query (biounit: 5lji.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 4.05405
2 2JDR L20 4.05405
3 16PK BIS 4.72973
4 1OSS BEN 6.08108
5 6H3O FAD 6.08108
6 3Q9T FAY 6.75676
7 1G4U AF3 8.78378
8 1GXU 2HP 10.989
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