Browse entries in the PDBbind-CN Database

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Related entries of code: 5ai1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1e3vRCSB PDB    PDBbind131aa, >1E3V_1|Chains... *
1ogxRCSB PDB    PDBbind131aa, >1OGX_1|Chains... at 99%
1w6yRCSB PDB    PDBbind131aa, >1W6Y_1|Chain... at 99%
5g2gRCSB PDB    PDBbind127aa, >5G2G_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1ogxRCSB PDB    PDBbindEQU
1ogzRCSB PDB    PDBbindEQU
1w6yRCSB PDB    PDBbindEQU
5g2gRCSB PDB    PDBbindEQU
Entry Information
PDB ID5ai1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameketosteroid isomerase containing Y32F, D40N, Y57F and Y119F mutations
Ligand NameEQU
EC.Number E.C.5.3.3.1
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=0.34uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Mol.Cells Vol. 38: pp. 409-415
Ligand Properties
Formula C18H16O2
Molecular Weight 264.318
Exact Mass 264.115
No. of atoms 36
No. of bonds 39
Polar Surface Area 37.3
LOGP Value 3.60      (Computed with XLOGP3)
4.03      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
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): P07445  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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