Receptor
PDB id Resolution Class Description Source Keywords
1V7Z 1.6 Å EC: 3.5.2.10 CREATININASE-PRODUCT COMPLEX PSEUDOMONAS SP. MN-ACTIVATED CREATININASE SUBSTRATE COMPLEX HYDROLASE
Ref.: CRYSTAL STRUCTURES OF CREATININASE REVEAL THE SUBSTRATE BINDING SITE AND PROVIDE AN INSIGHT INTO THE CATALYTIC MECHANISM J.MOL.BIOL. V. 337 399 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CRN A:401;
B:3401;
C:4401;
D:5401;
E:6401;
F:7401;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
131.133 C4 H9 N3 O2 CN(CC...
MN A:300;
B:3300;
C:4300;
D:5300;
E:6300;
F:7300;
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
54.938 Mn [Mn+2...
SO4 A:501;
A:502;
A:503;
B:3501;
B:3502;
B:3503;
C:4501;
C:4502;
C:4503;
D:5501;
D:5502;
D:5503;
E:6501;
E:6502;
E:6503;
F:7501;
F:7502;
F:7503;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ZN A:301;
B:3301;
C:4301;
D:5301;
E:6301;
F:7301;
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
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1V7Z 1.6 Å EC: 3.5.2.10 CREATININASE-PRODUCT COMPLEX PSEUDOMONAS SP. MN-ACTIVATED CREATININASE SUBSTRATE COMPLEX HYDROLASE
Ref.: CRYSTAL STRUCTURES OF CREATININASE REVEAL THE SUBSTRATE BINDING SITE AND PROVIDE AN INSIGHT INTO THE CATALYTIC MECHANISM J.MOL.BIOL. V. 337 399 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1V7Z - CRN C4 H9 N3 O2 CN(CC(=O)O....
2 3A6D - MGX C2 H7 N3 [H]/N=C(/N....
3 3A6J - CRN C4 H9 N3 O2 CN(CC(=O)O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1V7Z - CRN C4 H9 N3 O2 CN(CC(=O)O....
2 3A6D - MGX C2 H7 N3 [H]/N=C(/N....
3 3A6J - CRN C4 H9 N3 O2 CN(CC(=O)O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1V7Z - CRN C4 H9 N3 O2 CN(CC(=O)O....
2 3A6D - MGX C2 H7 N3 [H]/N=C(/N....
3 3A6J - CRN C4 H9 N3 O2 CN(CC(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CRN; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CRN 1 1
2 CMS 0.6 0.775
3 DMG 0.5 0.621622
4 IOM 0.448276 0.942857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1V7Z; Ligand: CRN; Similar sites found: 16
This union binding pocket(no: 1) in the query (biounit: 1v7z.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NJF ADP 0.01509 0.40321 2
2 5EOB 5QQ 0.03859 0.41507 2.69231
3 2H3H BGC 0.004986 0.41535 3.07692
4 4XJC TTP 0.01743 0.4036 3.38983
5 5JFS 6K0 0.01683 0.42436 3.46154
6 3LKF PC 0.006426 0.41461 4.23077
7 1D6Z HY1 0.01017 0.41067 4.23077
8 5THQ NDP 0.02422 0.40761 4.23077
9 3FGZ BEF 0.01341 0.40455 5.46875
10 4V3C C 0.007019 0.4153 6.92308
11 5MW4 5JU 0.04866 0.4019 7.30769
12 1UWK NAD 0.04463 0.40797 8.84615
13 5BSR COA 0.0484 0.41236 10
14 5CYV WCA 0.0219 0.40183 13.0137
15 1SQL GUN 0.008872 0.41747 28.0822
16 1L0I PSR 0.009567 0.42062 28.2051
Pocket No.: 2; Query (leader) PDB : 1V7Z; Ligand: CRN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1v7z.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1V7Z; Ligand: CRN; 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: 1v7z.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1V7Z; Ligand: CRN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1v7z.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1V7Z; Ligand: CRN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1v7z.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1V7Z; Ligand: CRN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1v7z.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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