Receptor
PDB id Resolution Class Description Source Keywords
1P6O 1.14 Å EC: 3.5.4.1 THE CRYSTAL STRUCTURE OF YEAST CYTOSINE DEAMINASE BOUND TO 4(R)-HYDROXYL-3,4-DIHYDROPYRIMIDINE AT 1.14 ANGSTROMS. SACCHAROMYCES CEREVISIAE CYTOSINE DEAMINASE HYDROLASE DIMER INHIBITOR BOUND
Ref.: THE 1.14 A CRYSTAL STRUCTURE OF YEAST CYTOSINE DEAMINASE. EVOLUTION OF NUCLEOTIDE SALVAGE ENZYMES AND IMPLICATIONS FOR GENETIC CHEMOTHERAPY. STRUCTURE V. 11 961 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY A:420;
B:421;
B:422;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
60.052 C2 H4 O2 CC(=O...
CA B:402;
B:403;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
HPY A:411;
B:410;
Valid;
Valid;
none;
none;
submit data
114.103 C4 H6 N2 O2 C1=CN...
ZN A:401;
B:400;
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
1P6O 1.14 Å EC: 3.5.4.1 THE CRYSTAL STRUCTURE OF YEAST CYTOSINE DEAMINASE BOUND TO 4(R)-HYDROXYL-3,4-DIHYDROPYRIMIDINE AT 1.14 ANGSTROMS. SACCHAROMYCES CEREVISIAE CYTOSINE DEAMINASE HYDROLASE DIMER INHIBITOR BOUND
Ref.: THE 1.14 A CRYSTAL STRUCTURE OF YEAST CYTOSINE DEAMINASE. EVOLUTION OF NUCLEOTIDE SALVAGE ENZYMES AND IMPLICATIONS FOR GENETIC CHEMOTHERAPY. STRUCTURE V. 11 961 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UAQ - DUC C4 H6 N2 O2 C1CNC(=O)N....
2 1P6O - HPY C4 H6 N2 O2 C1=CNC(=O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UAQ - DUC C4 H6 N2 O2 C1CNC(=O)N....
2 1P6O - HPY C4 H6 N2 O2 C1=CNC(=O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UAQ - DUC C4 H6 N2 O2 C1CNC(=O)N....
2 1P6O - HPY C4 H6 N2 O2 C1=CNC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HPY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HPY 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P6O; Ligand: HPY; Similar sites found: 35
This union binding pocket(no: 1) in the query (biounit: 1p6o.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FR6 URI 0.000000689 0.55064 None
2 2FR6 CTN 0.0000007007 0.50307 None
3 2Q3M MLA 0.01501 0.40455 None
4 1JPA ANP 0.0009802 0.46035 1.86335
5 4D2S DYK 0.001168 0.42273 3.10559
6 2VZ6 FEF 0.002474 0.41029 4.34783
7 4WNP 3RJ 0.002187 0.40749 4.34783
8 3K4Z CBI 0.01661 0.40308 4.34783
9 4YMJ 4EJ 0.01211 0.40242 4.34783
10 2VN9 GVD 0.0119 0.40133 4.34783
11 4REI 3MV 0.01368 0.4001 4.63576
12 3M2W L8I 0.001985 0.41255 4.96894
13 2Z49 AMG 0.01632 0.4071 4.96894
14 1YFS ALA 0.007784 0.41977 6.21118
15 2QX0 PH2 0.009964 0.40602 6.28931
16 4PTN PYR 0.008761 0.41466 6.8323
17 1MQ0 BRD 0.00005071 0.46628 7.14286
18 4Y8D 49J 0.008269 0.40903 7.45342
19 5UI2 SUC 0.01099 0.4024 7.45342
20 2GK6 ADP 0.0128 0.40119 7.45342
21 2F2U M77 0.005362 0.40492 8.69565
22 1CBK ROI 0.01071 0.40634 8.75
23 5JBX MLI 0.006046 0.41563 9.31677
24 5HVJ ANP 0.01018 0.4067 9.93789
25 4UP5 94W 0.007645 0.42165 10.101
26 1CTU ZEB 0.000000189 0.52645 11.8012
27 1LOJ URI 0.00137 0.44983 12.6437
28 1LOJ U 0.005399 0.42184 12.6437
29 4DC2 ADE 0.001784 0.4445 14.9068
30 1O9U ADZ 0.003858 0.42226 16.1491
31 2HVW DDN 0.000000151 0.55917 18.0124
32 1UWZ THU 0.000009778 0.48193 21.3235
33 4LCN GNG 0.000003119 0.52391 22.9814
34 5XKR BZE 0.001304 0.43059 27.673
35 1VQ2 DDN 0.00000001071 0.56928 31.677
Pocket No.: 2; Query (leader) PDB : 1P6O; Ligand: HPY; 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: 1p6o.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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