Browse entries in the PDBbind-CN Database

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Related entries of code: 6md6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1iewRCSB PDB    PDBbind605aa, >1IEW_1|Chain... at 100%
1lq2RCSB PDB    PDBbind602aa, >1LQ2_1|Chain... at 100%
1x38RCSB PDB    PDBbind602aa, >1X38_1|Chain... at 100%
1x39RCSB PDB    PDBbind602aa, >1X39_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6md6
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHvExoI
Ligand NameJSV
EC.Number E.C.-.-.-.-
Resolution 1.68(Å)
Affinity (Kd/Ki/IC50)Kd=8uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Nat Commun Vol. 10: pp. 2222-2222
Ligand Properties
Formula C13H24O10S
Molecular Weight 372.389
Exact Mass 372.109
No. of atoms 48
No. of bonds 49
Polar Surface Area 194.6
LOGP Value -2.85      (Computed with XLOGP3)
-4.03      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 2
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): Q9XEI3  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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