Browse entries in the PDBbind-CN Database

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Related entries of code: 4ffs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3nm6RCSB PDB    PDBbind230aa, >3NM6_1|Chain... at 99%
4wknRCSB PDB    PDBbind245aa, >4WKN_1|Chain... *
4wkoRCSB PDB    PDBbind245aa, >4WKO_1|Chain... at 100%
4wkpRCSB PDB    PDBbind245aa, >4WKP_1|Chains... at 100%
4ynbRCSB PDB    PDBbind245aa, >4YNB_1|Chain... at 100%
4yo8RCSB PDB    PDBbind245aa, >4YO8_1|Chains... at 100%
6dyyRCSB PDB    PDBbind245aa, >6DYY_1|Chains... at 100%
6dywRCSB PDB    PDBbind245aa, >6DYW_1|Chains... at 100%
6dyvRCSB PDB    PDBbind245aa, >6DYV_1|Chains... at 100%
6dyuRCSB PDB    PDBbind245aa, >6DYU_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3dp9RCSB PDB    PDBbindBIG
4f3cRCSB PDB    PDBbindBIG
4wkcRCSB PDB    PDBbindBIG
6ayrRCSB PDB    PDBbindBIG
Entry Information
PDB ID4ffs
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMTA/SAH nucleosidase
Ligand NameBIG
EC.Number E.C.3.2.2.9
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=36pM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochemistry Vol. 51: pp. 6892-6894
Ligand Properties
Formula C16H26N5OS
Molecular Weight 336.476
Exact Mass 336.186
No. of atoms 49
No. of bonds 51
Polar Surface Area 117.56
LOGP Value 1.22      (Computed with XLOGP3)
2.60      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
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): Q9ZMY2  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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