Browse entries in the PDBbind-CN Database

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Related entries of code: 6q30
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4exsRCSB PDB    PDBbind272aa, >4EXS_1|Chains... *
5a5zRCSB PDB    PDBbind251aa, >5A5Z_1|Chains... at 96%
6rmfRCSB PDB    PDBbind244aa, >6RMF_1|Chains... at 99%
6q2yRCSB PDB    PDBbind244aa, >6Q2Y_1|Chains... at 100%
6ovzRCSB PDB    PDBbind235aa, >6OVZ_1|Chains... at 100%
6mduRCSB PDB    PDBbind233aa, >6MDU_1|Chain... at 98%
6ibvRCSB PDB    PDBbind244aa, >6IBV_1|Chains... at 100%
6ibsRCSB PDB    PDBbind244aa, >6IBS_1|Chains... at 100%
6efjRCSB PDB    PDBbind233aa, >6EFJ_1|Chain... at 98%
6d1kRCSB PDB    PDBbind233aa, >6D1K_1|Chain... at 98%
6d1iRCSB PDB    PDBbind233aa, >6D1I_1|Chain... at 98%
6d1jRCSB PDB    PDBbind233aa, >6D1J_1|Chain... at 98%
6d1hRCSB PDB    PDBbind233aa, >6D1H_1|Chain... at 98%
6d1gRCSB PDB    PDBbind233aa, >6D1G_1|Chain... at 98%
6d1dRCSB PDB    PDBbind233aa, >6D1D_1|Chain... at 98%
6d1bRCSB PDB    PDBbind233aa, >6D1B_1|Chain... at 98%
6d1aRCSB PDB    PDBbind233aa, >6D1A_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6q30
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNDM-1
Ligand NameHCH
EC.Number E.C.-.-.-.-
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)Ki=3uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acs Med.Chem.Lett. Vol. 10: pp. 650-655
Ligand Properties
Formula C9H11BO5S
Molecular Weight 242.057
Exact Mass 242.042
No. of atoms 27
No. of bonds 28
Polar Surface Area 93.23
LOGP Value 2.02      (Computed with XLOGP3)
-1.08      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
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): C7C422  
Entrez Gene IDNCBI Entrez Gene ID: 61419528  
ASDInformation of known allosteric effects of PDB entries
 
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