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Receptor
PDB id Resolution Class Description Source Keywords
4ZYB 1.5 Å EC: 3.4.24.75 HIGH RESOLUTION STRUCTURE OF M23 PEPTIDASE LYTM WITH SUBSTRA ANALOGUE STAPHYLOCOCCUS AUREUS SUBSP. AUREUS NCORGANISM_TAXID: 93061 LYTM LYSOSTAPHIN PEPTIDOGLYCAN AMIDASE PEPTIDASE HYDROLATETRAGLYCINE PHOSPHINATE TRANSITION STATE ANALOGUE COMPLE
Ref.: HIGH RESOLUTION STRUCTURE OF AN M23 PEPTIDASE WITH SUBSTRATE ANALOGUE. SCI REP V. 5 14833 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:402;
D:402;
A:402;
C:402;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
ZN C:401;
A:401;
B:401;
D:401;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
UNL A:407;
A:405;
A:406;
C:403;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
n/a NULL NULL
EDO B:405;
A:408;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
CL D:403;
A:404;
A:403;
B:403;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
EPE C:405;
A:410;
Invalid;
Invalid;
none;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
PEG B:404;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
4SQ B:406;
D:404;
A:409;
C:404;
Valid;
Valid;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
none;
submit data
281.203 C8 H16 N3 O6 P C(CP(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZYB 1.5 Å EC: 3.4.24.75 HIGH RESOLUTION STRUCTURE OF M23 PEPTIDASE LYTM WITH SUBSTRA ANALOGUE STAPHYLOCOCCUS AUREUS SUBSP. AUREUS NCORGANISM_TAXID: 93061 LYTM LYSOSTAPHIN PEPTIDOGLYCAN AMIDASE PEPTIDASE HYDROLATETRAGLYCINE PHOSPHINATE TRANSITION STATE ANALOGUE COMPLE
Ref.: HIGH RESOLUTION STRUCTURE OF AN M23 PEPTIDASE WITH SUBSTRATE ANALOGUE. SCI REP V. 5 14833 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 4ZYB - 4SQ C8 H16 N3 O6 P C(CP(=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 4ZYB - 4SQ C8 H16 N3 O6 P C(CP(=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 4ZYB - 4SQ C8 H16 N3 O6 P C(CP(=O)(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 4SQ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 4SQ 1 1
2 GGG 0.416667 0.727273
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZYB; Ligand: 4SQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4zyb.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4ZYB; Ligand: 4SQ; 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: 4zyb.bio4) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4ZYB; Ligand: 4SQ; 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: 4zyb.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4ZYB; Ligand: 4SQ; 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: 4zyb.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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