Receptor
PDB id Resolution Class Description Source Keywords
2BII 1.7 Å EC: 1.7.1.2 CRYSTAL STRUCTURE OF NITRATE-REDUCING FRAGMENT OF ASSIMILATORY NITRATE REDUCTASE FROM PICHIA ANGUSTA PICHIA ANGUSTA FAD FLAVOPROTEIN HEME MOLYBDENUM NADP NITRATE ASSIMILATION OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS OF EUKARYOTIC NITRATE REDUCTION: CRYSTAL STRUCTURES OF THE NITRATE REDUCTASE ACTIVE SITE PLANT CELL V. 17 1167 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:701;
A:702;
A:703;
B:701;
B:702;
B:703;
B:704;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
MTV A:1479;
B:1479;
 Valid;
Valid;
 none;
none;
 submit data
518.251 C10 H9 Mo N5 O8 P S2 C(C1=...
NA A:603;
B:603;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
SO4 A:601;
A:602;
B:601;
B:602;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BII 1.7 Å EC: 1.7.1.2 CRYSTAL STRUCTURE OF NITRATE-REDUCING FRAGMENT OF ASSIMILATORY NITRATE REDUCTASE FROM PICHIA ANGUSTA PICHIA ANGUSTA FAD FLAVOPROTEIN HEME MOLYBDENUM NADP NITRATE ASSIMILATION OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS OF EUKARYOTIC NITRATE REDUCTION: CRYSTAL STRUCTURES OF THE NITRATE REDUCTASE ACTIVE SITE PLANT CELL V. 17 1167 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BII - MTV C10 H9 Mo N5 O8 P S2 C(C1=C2C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BII - MTV C10 H9 Mo N5 O8 P S2 C(C1=C2C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BII - MTV C10 H9 Mo N5 O8 P S2 C(C1=C2C(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MTV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MTV 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: MTV; Similar ligands found: 2
No: Ligand Similarity coefficient
1 MTE 0.9687
2 MSS 0.9605
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BII; Ligand: MTV; Similar sites found with APoc: 8
This union binding pocket(no: 1) in the query (biounit: 2bii.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2XTS MTE 32.5641
2 2XTS MTE 32.5641
3 4PW9 MSS 42.0054
4 5WA0 MSS 42.4658
5 1SOX MTE 43.3962
6 1SOX MTE 43.3962
7 2A9D MTE 49.7312
8 2A9D MTE 49.7312
Pocket No.: 2; Query (leader) PDB : 2BII; Ligand: MTV; 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: 2bii.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2BII; Ligand: MTV; Similar sites found with APoc: 12
This union binding pocket(no: 3) in the query (biounit: 2bii.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2XTS MTE 32.5641
2 2XTS MTE 32.5641
3 2BLF MSS 39.6783
4 4PW9 MSS 42.0054
5 5WA0 MSS 42.4658
6 5WA0 MSS 42.4658
7 5WA0 MSS 42.4658
8 5WA0 MSS 42.4658
9 1SOX MTE 43.3962
10 1SOX MTE 43.3962
11 2A9D MTE 49.7312
12 2A9D MTE 49.7312
Pocket No.: 4; Query (leader) PDB : 2BII; Ligand: MTV; 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: 2bii.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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