Receptor
PDB id Resolution Class Description Source Keywords
5DZ2 2.11 Å EC: 4.2.3.22 GEOSMIN SYNTHASE FROM STREPTOMYCES COELICOLOR N-TERMINAL DOM COMPLEXED WITH THREE MG2+ IONS AND ALENDRONIC ACID STREPTOMYCES COELICOLOR (STRAIN ATCC BA3(2) / M145) TERPENE CYCLASE GEOSMIN GERMACRADIENOL LYASE
Ref.: STRUCTURAL STUDIES OF GEOSMIN SYNTHASE, A BIFUNCTIO SESQUITERPENE SYNTHASE WITH ALPHA ALPHA DOMAIN ARCH THAT CATALYZES A UNIQUE CYCLIZATION-FRAGMENTATION R SEQUENCE. BIOCHEMISTRY V. 54 7142 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
212 A:404;
B:404;
Valid;
Valid;
none;
none;
submit data
249.096 C4 H13 N O7 P2 C(CC(...
MG A:401;
A:402;
B:402;
B:401;
B:403;
A:403;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DZ2 2.11 Å EC: 4.2.3.22 GEOSMIN SYNTHASE FROM STREPTOMYCES COELICOLOR N-TERMINAL DOM COMPLEXED WITH THREE MG2+ IONS AND ALENDRONIC ACID STREPTOMYCES COELICOLOR (STRAIN ATCC BA3(2) / M145) TERPENE CYCLASE GEOSMIN GERMACRADIENOL LYASE
Ref.: STRUCTURAL STUDIES OF GEOSMIN SYNTHASE, A BIFUNCTIO SESQUITERPENE SYNTHASE WITH ALPHA ALPHA DOMAIN ARCH THAT CATALYZES A UNIQUE CYCLIZATION-FRAGMENTATION R SEQUENCE. BIOCHEMISTRY V. 54 7142 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5DZ2 - 212 C4 H13 N O7 P2 C(CC(O)(P(....
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 5DZ2 - 212 C4 H13 N O7 P2 C(CC(O)(P(....
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 5DZ2 - 212 C4 H13 N O7 P2 C(CC(O)(P(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 212; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 212 1 1
2 NRD 0.689655 0.95
3 210 0.615385 0.925
4 AHD 0.566667 0.85
5 028 0.484848 0.666667
6 252 0.470588 0.652174
7 H23 0.470588 0.652174
Similar Ligands (3D)
Ligand no: 1; Ligand: 212; Similar ligands found: 8
No: Ligand Similarity coefficient
1 0M9 0.9112
2 DMO 0.9075
3 ZOL 0.8986
4 FLC 0.8806
5 HCA 0.8781
6 AOR 0.8768
7 CIT 0.8760
8 RIS 0.8724
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DZ2; Ligand: 212; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 5dz2.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4KWD JF2 33.4395
2 7KJG BTM 36.3905
Pocket No.: 2; Query (leader) PDB : 5DZ2; Ligand: 212; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 5dz2.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4KWD JF2 33.4395
2 4KWD JF2 33.4395
3 7KJG BTM 36.3905
APoc FAQ
Feedback