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Receptor
PDB id Resolution Class Description Source Keywords
3SVL 2.2 Å NON-ENZYME: OTHER STRUCTURAL BASIS OF THE IMPROVEMENT OF CHRR - A MULTI-PURPOS ESCHERICHIA COLI E. COLI CHRR ENZYME CHROMATE BIOREMEDIATION TETRAMER ROLEMUTANT ENZYMES OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF CHRR-A QUINONE REDUCTASE WITH CAPACITY TO REDUCE CHROMATE. PLOS ONE V. 7 36017 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:201;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
FMN A:200;
B:200;
Valid;
Valid;
none;
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
3SVL 2.2 Å NON-ENZYME: OTHER STRUCTURAL BASIS OF THE IMPROVEMENT OF CHRR - A MULTI-PURPOS ESCHERICHIA COLI E. COLI CHRR ENZYME CHROMATE BIOREMEDIATION TETRAMER ROLEMUTANT ENZYMES OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF CHRR-A QUINONE REDUCTASE WITH CAPACITY TO REDUCE CHROMATE. PLOS ONE V. 7 36017 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3SVL - 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 3SVL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3S2Y - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3SVL - 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 : 3SVL; Ligand: FMN; Similar sites found with APoc: 52
This union binding pocket(no: 1) in the query (biounit: 3svl.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4YQE FMN 2.59067
2 4YQE PLQ 2.59067
3 6FRN FMN 2.59067
4 1A99 PUT 2.59067
5 1AKV FMN 2.72109
6 5LMC FMN 3.10881
7 4N82 FMN 3.37079
8 1WD4 AHR 4.14508
9 2OHH FMN 4.14508
10 4ARE FLC 4.14508
11 3QDV A2G 4.8951
12 3QDW A2G 4.8951
13 3QDX A2G GAL 4.8951
14 3QDT A2G GAL 4.8951
15 3QDY A2G GAL 4.8951
16 3KAP FMN 5.44218
17 5NUL FMN 6.52174
18 3JSX CC2 6.73575
19 3JSX FAD 6.73575
20 2PIA FMN 6.73575
21 3F6R FMN 6.75676
22 2OFD NGA 7.04225
23 3N39 FMN 7.77202
24 4NOS ITU 8.29016
25 5FA6 NAP 8.29016
26 5FA6 FMN 8.29016
27 5FA6 FAD 8.29016
28 3FJO FMN 8.29016
29 2GTE VA 8.87097
30 1NU4 MLA 9.27835
31 4C0X FMN 9.32642
32 4C0X AQN 9.32642
33 4R81 FMN 9.84456
34 1OBV FMN 10.6509
35 3AKI AH8 10.8808
36 4LTN FMN 11.399
37 4LTN NAI 11.399
38 3UXH UXH 11.9171
39 3UXH FAD 11.9171
40 4N65 AQN 12.2642
41 4N65 FMN 12.2642
42 1QRD FAD 17.0984
43 4HEQ FMN 17.1233
44 4BMO FMN 19.3277
45 2Z9C FMN 20.2073
46 2Z9C DTC 20.2073
47 1T5B FMN 20.7254
48 1E5D FMN 20.7254
49 1BVY FMN 23.0366
50 1T0I FMN 26.7016
51 3GFS FMN 29.8851
52 4PTZ FMN 43.4555
Pocket No.: 2; Query (leader) PDB : 3SVL; Ligand: FMN; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 3svl.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 3HCH RSM None
2 1RDL MMA None
3 4A59 AMP 4.66321
4 3A23 GAL 6.21762
5 2BVE PH5 10.084
Pocket No.: 3; Query (leader) PDB : 3SVL; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3svl.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3SVL; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3svl.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3SVL; Ligand: FMN; Similar sites found with APoc: 1
This union binding pocket(no: 5) in the query (biounit: 3svl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2CJW GDP None
Pocket No.: 6; Query (leader) PDB : 3SVL; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3svl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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