Receptor
PDB id Resolution Class Description Source Keywords
4OUC 1.9 Å EC: 2.7.11.1 STRUCTURE OF HUMAN HASPIN IN COMPLEX WITH HISTONE H3 SUBSTRA HOMO SAPIENS STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC TRANSFERASE HISTONE KINASE SUBSTRATE COMPLEX CHROMATIN R
Ref.: MODULATION OF THE CHROMATIN PHOSPHOPROTEOME BY THE PROTEIN KINASE. MOL CELL PROTEOMICS V. 13 1724 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:806;
A:804;
A:805;
A:807;
A:802;
A:803;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
IOD A:809;
Invalid;
none;
submit data
126.904 I [I-]
5ID A:808;
Valid;
none;
submit data
392.15 C11 H13 I N4 O4 c1c(c...
NA A:801;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OUC 1.9 Å EC: 2.7.11.1 STRUCTURE OF HUMAN HASPIN IN COMPLEX WITH HISTONE H3 SUBSTRA HOMO SAPIENS STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC TRANSFERASE HISTONE KINASE SUBSTRATE COMPLEX CHROMATIN R
Ref.: MODULATION OF THE CHROMATIN PHOSPHOPROTEOME BY THE PROTEIN KINASE. MOL CELL PROTEOMICS V. 13 1724 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 125 families.
1 4OUC - 5ID C11 H13 I N4 O4 c1c(c2c(nc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 95 families.
1 4OUC - 5ID C11 H13 I N4 O4 c1c(c2c(nc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 63 families.
1 4OUC - 5ID C11 H13 I N4 O4 c1c(c2c(nc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5ID; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 5ID 1 1
2 5I5 0.672414 0.861538
3 EKH 0.633333 0.969231
4 FTU 0.622951 0.969231
5 EKK 0.622951 0.969231
6 TO1 0.612903 0.909091
7 HO4 0.603175 0.909091
8 SGV 0.59375 0.923077
9 TBN 0.454545 0.9375
10 ADN 0.454545 0.923077
11 RAB 0.454545 0.923077
12 XYA 0.454545 0.923077
13 ZJB 0.447368 0.821918
14 AD3 0.402778 0.923077
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OUC; Ligand: 5ID; Similar sites found with APoc: 14
This union binding pocket(no: 1) in the query (biounit: 4ouc.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2QCS ANP 4
2 4WB6 ATP 4.28571
3 4WB6 ATP 4.28571
4 6GUE FB8 4.63576
5 2XMY CDK 4.69799
6 6HMR GE5 5.73248
7 5X8I SQZ 6.16247
8 5X8I SQZ 6.16247
9 6G33 5ID 6.16247
10 6G33 5ID 6.16247
11 5LI1 ANP 8.96359
12 1V0O INR 9.02778
13 1V0O INR 9.02778
14 5HQ0 LZ9 29.6919
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