Browse entries in the PDBbind-CN Database

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Related entries of code: 4u44
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4oboRCSB PDB    PDBbind332aa, >4OBO_1|Chains... *
4obpRCSB PDB    PDBbind332aa, >4OBP_1|Chains... at 100%
4obqRCSB PDB    PDBbind332aa, >4OBQ_1|Chains... at 100%
4rvtRCSB PDB    PDBbind328aa, >4RVT_1|Chains... at 98%
4u43RCSB PDB    PDBbind332aa, >4U43_1|Chains... at 100%
4u45RCSB PDB    PDBbind332aa, >4U45_1|Chains... at 100%
4zk5RCSB PDB    PDBbind332aa, >4ZK5_1|Chains... at 100%
5ax9RCSB PDB    PDBbind308aa, >5AX9_1|Chains... at 90%
5d7aRCSB PDB    PDBbind308aa, >5D7A_1|Chains... at 90%
5di1RCSB PDB    PDBbind310aa, >5DI1_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4u44
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMitogen-activated protein kinase kinase kinase kinase 4 MAP4K4
Ligand Name3D9
EC.Number E.C.2.7.11.1
Resolution 2.43(Å)
Affinity (Kd/Ki/IC50)IC50=8nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Bioorg.Med.Chem.Lett. Vol. 24: pp. 4546-4552
Ligand Properties
Formula C17H13N5
Molecular Weight 287.319
Exact Mass 287.117
No. of atoms 35
No. of bonds 38
Polar Surface Area 55.11
LOGP Value 2.84      (Computed with XLOGP3)
3.61      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): O95819  
Entrez Gene IDNCBI Entrez Gene ID: 9448  
ASDInformation of known allosteric effects of PDB entries
 
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