Browse entries in the PDBbind-CN Database

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Related entries of code: 6g3a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4qtcRCSB PDB    PDBbind357aa, >4QTC_1|Chain... *
5htbRCSB PDB    PDBbind357aa, >5HTB_1|Chain... at 100%
5htcRCSB PDB    PDBbind357aa, >5HTC_1|Chain... at 100%
6g34RCSB PDB    PDBbind357aa, >6G34_1|Chain... at 100%
6g35RCSB PDB    PDBbind357aa, >6G35_1|Chain... at 100%
6g36RCSB PDB    PDBbind357aa, >6G36_1|Chain... at 100%
6g37RCSB PDB    PDBbind357aa, >6G37_1|Chain... at 100%
6g38RCSB PDB    PDBbind357aa, >6G38_1|Chain... at 100%
6g39RCSB PDB    PDBbind357aa, >6G39_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2zoqRCSB PDB    PDBbind5ID
5ax3RCSB PDB    PDBbind5ID
6g33RCSB PDB    PDBbind5ID
6g34RCSB PDB    PDBbind5ID
6g39RCSB PDB    PDBbind5ID
6jwaRCSB PDB    PDBbind5ID
6c67RCSB PDB    PDBbind5ID
Entry Information
PDB ID6g3a
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehaspin F605T mutant
Ligand Name5ID
EC.Number E.C.-.-.-.-
Resolution 1.43(Å)
Affinity (Kd/Ki/IC50)Kd=4.2nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Angew. Chem. Int. Ed. Engl. Vol. 57: pp. 7220-7224
Ligand Properties
Formula C11H13IN4O4
Molecular Weight 392.150
Exact Mass 391.998
No. of atoms 33
No. of bonds 35
Polar Surface Area 126.65
LOGP Value -0.69      (Computed with XLOGP3)
-0.19      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
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): Q8TF76  
Entrez Gene IDNCBI Entrez Gene ID: 83903  
ASDInformation of known allosteric effects of PDB entries
 
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