-->
Receptor
PDB id Resolution Class Description Source Keywords
3S2Y 2.24 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A CHROMATE/URANIUM REDUCTASE FROM GLUCONACETOBACTER HANSENII GLUCONACETOBACTER HANSENII CHROMATE REDUCTASE URANIUM REDUCTASE OXIDOREDUCTASE
Ref.: STRUCTURE DETERMINATION AND FUNCTIONAL ANALYSIS OF CHROMATE REDUCTASE FROM GLUCONACETOBACTER HANSENII. PLOS ONE V. 7 42432 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:201;
B:200;
C:201;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
FMN A:200;
B:201;
C:200;
D:200;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
PG4 B:202;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3S2Y 2.24 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A CHROMATE/URANIUM REDUCTASE FROM GLUCONACETOBACTER HANSENII GLUCONACETOBACTER HANSENII CHROMATE REDUCTASE URANIUM REDUCTASE OXIDOREDUCTASE
Ref.: STRUCTURE DETERMINATION AND FUNCTIONAL ANALYSIS OF CHROMATE REDUCTASE FROM GLUCONACETOBACTER HANSENII. PLOS ONE V. 7 42432 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 3S2Y - 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 280 families.
1 3S2Y - 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 : 3S2Y; Ligand: FMN; Similar sites found with APoc: 54
This union binding pocket(no: 1) in the query (biounit: 3s2y.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 2GUD MAN None
3 2GUC MAN None
4 2GUD BMA None
5 5WHU SIA GAL 1.00503
6 1SQS TLA 2.06612
7 2OYS FMN 2.06612
8 5MQW GTP 2.51256
9 5MQW ATP 2.51256
10 2BVE PH5 2.52101
11 6FSG FMN 2.72109
12 3QDV A2G 2.7972
13 3QDW A2G 2.7972
14 3QDY A2G GAL 2.7972
15 3QDX A2G GAL 2.7972
16 3QDT A2G GAL 2.7972
17 3L9W FMN 3.51759
18 1WD4 AHR 3.51759
19 5LJI FMN 4.72973
20 1OBV FMN 4.73373
21 1AKV FMN 4.7619
22 2Q9U FMN 4.83092
23 3A23 GAL 5.02513
24 5NUL FMN 5.07246
25 5FJJ MAN 5.52764
26 1V2A GTS 6.53266
27 4NFE BEN 7.03518
28 3AKI AH8 9.54774
29 5Z5I XYP 10.0503
30 5VEG FMN 10.1124
31 4N65 AQN 11.0553
32 4N65 FMN 11.0553
33 3UXH FAD 11.0553
34 3UXH UXH 11.0553
35 4LTN FMN 11.1675
36 4LTN NAI 11.1675
37 3JSX CC2 13.5678
38 3JSX FAD 13.5678
39 1QRD FAD 13.5678
40 1BVY FMN 13.6126
41 2B3D FAD 14.0704
42 2OFD NGA 15.493
43 2Z9C DTC 15.5
44 2Z9C FMN 15.5
45 1T5B FMN 15.9204
46 5MJI 7O6 16.5829
47 4BMO FMN 16.5829
48 4YQE FMN 17.2589
49 4YQE PLQ 17.2589
50 4C0X AQN 17.5879
51 4C0X FMN 17.5879
52 4PTZ FMN 18.0905
53 6GAQ FMN 19.4805
54 3GFS FMN 24.7126
Pocket No.: 2; Query (leader) PDB : 3S2Y; 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: 2) in the query (biounit: 3s2y.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3S2Y; 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: 3s2y.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3S2Y; 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: 3s2y.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3S2Y; 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: 5) in the query (biounit: 3s2y.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3S2Y; Ligand: FMN; Similar sites found with APoc: 25
This union binding pocket(no: 6) in the query (biounit: 3s2y.bio4) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2OX9 GAL NAG FUC None
2 1O9W NAG None
3 3P7G MAN None
4 1CZR FMN 2.36686
5 5FA6 NAP 3.01508
6 5FA6 FMN 3.01508
7 5FA6 FAD 3.01508
8 4U8P UDP 3.01508
9 4NOS ITU 3.51759
10 5KBE IPH 3.51759
11 4G86 BNT 3.51759
12 3C3D FO1 4.0201
13 4ARE FLC 4.52261
14 1KKR 2AS 4.52261
15 3HP8 SUC 4.54545
16 4Z87 GDP 5.02513
17 5W8X UDP 5.02513
18 4USI AKG 5.19481
19 3FJO FMN 5.52764
20 5TVF PUT 5.88235
21 2QES ADE 9.04523
22 1RLJ FMN 9.35252
23 4XFR CIT 9.54774
24 3N39 FMN 9.80392
25 5X7Q GLC GLC GLC 12.5628
Pocket No.: 7; Query (leader) PDB : 3S2Y; Ligand: FMN; Similar sites found with APoc: 6
This union binding pocket(no: 7) in the query (biounit: 3s2y.bio4) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4X1Z FUC GAL NDG 2.01005
2 4Q0A 4OA 2.01005
3 3UG4 AHR 4.52261
4 2PIA FMN 4.52261
5 2X1E X1E 5.52764
6 4A59 AMP 19.0955
Pocket No.: 8; Query (leader) PDB : 3S2Y; 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: 8) in the query (biounit: 3s2y.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3S2Y; 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: 9) in the query (biounit: 3s2y.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3S2Y; 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: 10) in the query (biounit: 3s2y.bio3) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3S2Y; 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: 11) in the query (biounit: 3s2y.bio3) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3S2Y; 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: 12) in the query (biounit: 3s2y.bio5) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 3S2Y; 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: 13) in the query (biounit: 3s2y.bio5) has 19 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback