Receptor
PDB id Resolution Class Description Source Keywords
3MTW 1.7 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF L-LYSINE, L-ARGININE CARBOXYPEPTIDASE C CAULOBACTER CRESCENTUS CB15 COMPLEXED WITH N-METHYL PHOSPHOD ERIVATIVE OF L-ARGININE CAULOBACTER VIBRIOIDES HYDROLASE
Ref.: FUNCTIONAL IDENTIFICATION AND STRUCTURE DETERMINATI NOVEL PROLIDASES FROM COG1228 IN THE AMIDOHYDROLASE SUPERFAMILY BIOCHEMISTRY V. 49 6791 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:3;
A:432;
A:433;
A:434;
A:435;
A:436;
A:437;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
M3R A:430;
Valid;
none;
Ki = 92 nM
252.208 C7 H17 N4 O4 P [H]/N...
PEG A:438;
A:439;
Invalid;
Invalid;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
SO4 A:4;
A:431;
A:5;
A:6;
A:7;
A:8;
A:9;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ZN A:1;
A:2;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3MTW 1.7 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF L-LYSINE, L-ARGININE CARBOXYPEPTIDASE C CAULOBACTER CRESCENTUS CB15 COMPLEXED WITH N-METHYL PHOSPHOD ERIVATIVE OF L-ARGININE CAULOBACTER VIBRIOIDES HYDROLASE
Ref.: FUNCTIONAL IDENTIFICATION AND STRUCTURE DETERMINATI NOVEL PROLIDASES FROM COG1228 IN THE AMIDOHYDROLASE SUPERFAMILY BIOCHEMISTRY V. 49 6791 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 3MTW Ki = 92 nM M3R C7 H17 N4 O4 P [H]/N=C(N)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3MTW Ki = 92 nM M3R C7 H17 N4 O4 P [H]/N=C(N)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 3MTW Ki = 92 nM M3R C7 H17 N4 O4 P [H]/N=C(N)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: M3R; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 M3R 1 1
2 AAG 0.571429 0.74
3 6DB 0.54902 0.770833
4 2W2 0.528302 0.7
5 CMA 0.509434 0.660377
6 SUG 0.509091 0.692308
7 G01 0.479167 0.77551
8 1OV 0.469388 0.77551
9 G3M 0.442308 0.634615
10 HRG 0.403846 0.653061
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3MTW; Ligand: M3R; 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: 3mtw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3MTW; Ligand: M3R; 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: 3mtw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3MTW; Ligand: M3R; 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: 3mtw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3MTW; Ligand: M3R; 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: 3mtw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3MTW; Ligand: M3R; 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: 3mtw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3MTW; Ligand: M3R; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3mtw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3MTW; Ligand: M3R; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3mtw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3MTW; Ligand: M3R; 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: 3mtw.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3MTW; Ligand: M3R; 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: 3mtw.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3MTW; Ligand: M3R; 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: 3mtw.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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