Browse entries in the PDBbind-CN Database

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Related entries of code: 4c9x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3whwRCSB PDB    PDBbind156aa, >3WHW_1|Chains... at 100%
4c9wRCSB PDB    PDBbind158aa, >4C9W_1|Chain... at 100%
4n1tRCSB PDB    PDBbind159aa, >4N1T_1|Chain... at 98%
4n1uRCSB PDB    PDBbind158aa, >4N1U_1|Chains... at 98%
5ansRCSB PDB    PDBbind175aa, >5ANS_1|Chain... at 93%
5antRCSB PDB    PDBbind175aa, >5ANT_1|Chains... at 93%
5anuRCSB PDB    PDBbind158aa, >5ANU_1|Chain... at 100%
5anvRCSB PDB    PDBbind158aa, >5ANV_1|Chain... at 100%
5anwRCSB PDB    PDBbind158aa, >5ANW_1|Chain... at 100%
5fslRCSB PDB    PDBbind156aa, >5FSL_1|Chain... at 100%
5fsmRCSB PDB    PDBbind156aa, >5FSM_1|Chain... at 100%
5fsnRCSB PDB    PDBbind156aa, >5FSN_1|Chain... at 100%
5fsoRCSB PDB    PDBbind156aa, >5FSO_1|Chain... at 100%
5ngrRCSB PDB    PDBbind159aa, >5NGR_1|Chains... at 98%
5ngsRCSB PDB    PDBbind159aa, >5NGS_1|Chains... at 98%
5ngtRCSB PDB    PDBbind159aa, >5NGT_1|Chain... at 98%
5nhyRCSB PDB    PDBbind159aa, >5NHY_1|Chains... at 98%
6f1xRCSB PDB    PDBbind159aa, >6F1X_1|Chains... at 98%
6f20RCSB PDB    PDBbind159aa, >6F20_1|Chains... at 98%
6f22RCSB PDB    PDBbind159aa, >6F22_1|Chains... at 98%
6f23RCSB PDB    PDBbind159aa, >6F23_1|Chains... at 98%
6eq7RCSB PDB    PDBbind182aa, >6EQ7_1|Chain... at 100%
6eq6RCSB PDB    PDBbind182aa, >6EQ6_1|Chain... at 100%
6eq5RCSB PDB    PDBbind182aa, >6EQ5_1|Chain... at 100%
6eq4RCSB PDB    PDBbind182aa, >6EQ4_1|Chain... at 100%
6eq3RCSB PDB    PDBbind182aa, >6EQ3_1|Chain... at 100%
6eq2RCSB PDB    PDBbind182aa, >6EQ2_1|Chain... *
6aa5RCSB PDB    PDBbind163aa, >6AA5_1|Chain... at 94%
6aa4RCSB PDB    PDBbind163aa, >6AA4_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4c9x
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman mutT homologue MTH1 (NUDT1)
Ligand NameVHS
EC.Number E.C.3.6.1.55
Resolution 1.2(Å)
Affinity (Kd/Ki/IC50)Kd=48nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Nature Vol. 508: pp. 222-227
Ligand Properties
Formula C21H23Cl2FN5O
Molecular Weight 451.345
Exact Mass 450.126
No. of atoms 53
No. of bonds 56
Polar Surface Area 82.57
LOGP Value 3.69      (Computed with XLOGP3)
6.16      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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): P36639  
Entrez Gene IDNCBI Entrez Gene ID: 4521  
ASDInformation of known allosteric effects of PDB entries
 
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