Receptor
PDB id Resolution Class Description Source Keywords
2BWN 2.1 Å EC: 2.3.1.37 5-AMINOLEVULINATE SYNTHASE FROM RHODOBACTER CAPSULATUS RHODOBACTER CAPSULATUS TETRAPYRROLE BIOSYNTHESIS HEME BIOSYNTHESIS PYRIDOXAL PHOSDEPENDENT TRANSFERASE ACYLTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF 5-AMINOLEVULINATE SYNTHASE, TH ENZYME OF HEME BIOSYNTHESIS, AND ITS LINK TO XLSA I HUMANS. EMBO J. V. 24 3166 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY B:1397;
D:1398;
Invalid;
Invalid;
none;
none;
submit data
60.052 C2 H4 O2 CC(=O...
CL A:1399;
E:1402;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
FMT E:1401;
Invalid;
none;
submit data
46.025 C H2 O2 C(=O)...
SIN A:1398;
D:1399;
E:1400;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
116.072 C4 H6 O4 O=C([...
SO4 B:1396;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BWN 2.1 Å EC: 2.3.1.37 5-AMINOLEVULINATE SYNTHASE FROM RHODOBACTER CAPSULATUS RHODOBACTER CAPSULATUS TETRAPYRROLE BIOSYNTHESIS HEME BIOSYNTHESIS PYRIDOXAL PHOSDEPENDENT TRANSFERASE ACYLTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF 5-AMINOLEVULINATE SYNTHASE, TH ENZYME OF HEME BIOSYNTHESIS, AND ITS LINK TO XLSA I HUMANS. EMBO J. V. 24 3166 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 2BWN - SIN C4 H6 O4 O=C([O-])C....
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 2BWN - SIN C4 H6 O4 O=C([O-])C....
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 2BWN - SIN C4 H6 O4 O=C([O-])C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN 1 1
2 MLI 0.5 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BWN; Ligand: SIN; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 2bwn.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5LRT ADP 0.02262 0.41144 1.99501
2 3NW7 LGV 0.01584 0.44052 2.9316
3 5FJN BE2 0.03587 0.41935 3.2419
4 4DQ2 BTX 0.03052 0.41106 5.79268
5 4M26 SIN 0.0285 0.40798 6.98254
6 3O03 NAP 0.03552 0.40583 7.56014
7 3PE2 E1B 0.03389 0.42106 7.71513
8 3RK0 AMP 0.01136 0.41262 9.70464
9 4PNE SAH 0.03017 0.40379 14.9007
10 5H2U 1N1 0.02752 0.40106 22.8464
Pocket No.: 2; Query (leader) PDB : 2BWN; Ligand: SIN; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 2bwn.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2HQU DUP 0.02512 0.40214 3.65854
2 1I8T FAD 0.02542 0.42391 5.72207
3 3OJI PYV 0.02154 0.40559 6.34921
4 1RSD PSB 0.04381 0.40608 9.09091
5 1HXD BTN 0.02299 0.4006 10.5919
Pocket No.: 3; Query (leader) PDB : 2BWN; Ligand: SIN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2bwn.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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