Browse entries in the PDBbind-CN Database

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Related entries of code: 6nu5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1t5aRCSB PDB    PDBbind567aa, >1T5A_1|Chains... *
4b2dRCSB PDB    PDBbind548aa, >4B2D_1|Chains... at 98%
4fxfRCSB PDB    PDBbind551aa, >4FXF_1|Chains... at 98%
4fxjRCSB PDB    PDBbind551aa, >4FXJ_1|Chains... at 98%
6b6uRCSB PDB    PDBbind525aa, >6B6U_1|Chains... at 99%
6gg4RCSB PDB    PDBbind551aa, >6GG4_1|Chains... at 97%
6gg5RCSB PDB    PDBbind551aa, >6GG5_1|Chains... at 97%
6nu1RCSB PDB    PDBbind551aa, >6NU1_1|Chains... at 97%
6gg3RCSB PDB    PDBbind551aa, >6GG3_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1ssqRCSB PDB    PDBbindCYS
1xt8RCSB PDB    PDBbindCYS
2ylnRCSB PDB    PDBbindCYS
6bauRCSB PDB    PDBbindCYS
6nu1RCSB PDB    PDBbindCYS
6a80RCSB PDB    PDBbindCYS

Entry Information
PDB ID6nu5
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePKM2(S473Y mutant)
Ligand NameCYS
EC.Number E.C.-.-.-.-
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Kd=7.04uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Biochemistry Vol. 58: pp. 3669-3682
Ligand Properties
Formula C3H8NO2S
Molecular Weight 122.166
Exact Mass 122.028
No. of atoms 15
No. of bonds 14
Polar Surface Area 103.74
LOGP Value -2.19      (Computed with XLOGP3)
-1.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 0
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): P14618  
Entrez Gene IDNCBI Entrez Gene ID: 5315  
ASDInformation of known allosteric effects of PDB entries

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