Receptor
PDB id Resolution Class Description Source Keywords
5BSH 2.1 Å EC: 1.5.1.2 CRYSTAL STRUCTURE OF MEDICAGO TRUNCATULA (DELTA)1-PYRROLINE- CARBOXYLATE REDUCTASE (MTP5CR) IN COMPLEX WITH L-PROLINE MEDICAGO TRUNCATULA PROLINE BIOSYNTHESIS DECAMER P5C PLANT PROTEIN OXIDOREDU
Ref.: THE STRUCTURE OF MEDICAGO TRUNCATULA DELTA (1)-PYRROLINE-5-CARBOXYLATE REDUCTASE PROVIDES NEW INTO REGULATION OF PROLINE BIOSYNTHESIS IN PLANTS. FRONT PLANT SCI V. 6 869 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO H:301;
B:301;
J:301;
A:301;
G:301;
C:301;
E:301;
F:301;
I:301;
D:301;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
115.13 C5 H9 N O2 C1C[C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5BSH 2.1 Å EC: 1.5.1.2 CRYSTAL STRUCTURE OF MEDICAGO TRUNCATULA (DELTA)1-PYRROLINE- CARBOXYLATE REDUCTASE (MTP5CR) IN COMPLEX WITH L-PROLINE MEDICAGO TRUNCATULA PROLINE BIOSYNTHESIS DECAMER P5C PLANT PROTEIN OXIDOREDU
Ref.: THE STRUCTURE OF MEDICAGO TRUNCATULA DELTA (1)-PYRROLINE-5-CARBOXYLATE REDUCTASE PROVIDES NEW INTO REGULATION OF PROLINE BIOSYNTHESIS IN PLANTS. FRONT PLANT SCI V. 6 869 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5BSG - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 5BSH - PRO C5 H9 N O2 C1C[C@H](N....
3 5BSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5BSG - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 5BSH - PRO C5 H9 N O2 C1C[C@H](N....
3 5BSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2AHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 2AMF - PRO C5 H9 N O2 C1C[C@H](N....
3 5BSG - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 5BSH - PRO C5 H9 N O2 C1C[C@H](N....
5 5BSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 5UAV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 5UAU - PRO C5 H9 N O2 C1C[C@H](N....
8 2IZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 5UAT - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PRO; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO 1 1
2 YCP 0.769231 0.875
3 LPD 0.571429 0.722222
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5BSH; Ligand: PRO; 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: 5bsh.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5BSH; Ligand: PRO; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 5bsh.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 2AG8 NAP 49.4297
Pocket No.: 3; Query (leader) PDB : 5BSH; Ligand: PRO; 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: 5bsh.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5BSH; Ligand: PRO; 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: 5bsh.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5BSH; Ligand: PRO; 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: 5bsh.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5BSH; Ligand: PRO; 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: 5bsh.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5BSH; Ligand: PRO; 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: 5bsh.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5BSH; Ligand: PRO; 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: 5bsh.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5BSH; Ligand: PRO; 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: 5bsh.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 5BSH; Ligand: PRO; 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: 5bsh.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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