Browse entries in the PDBbind-CN Database

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Related entries of code: 3zmi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2xowRCSB PDB    PDBbind179aa, >2XOW_1|Chain... at 100%
3zebRCSB PDB    PDBbind179aa, >3ZEB_1|Chain... at 100%
3zmhRCSB PDB    PDBbind180aa, >3ZMH_1|Chain... at 100%
3zmjRCSB PDB    PDBbind179aa, >3ZMJ_1|Chain... at 100%
3zotRCSB PDB    PDBbind180aa, >3ZOT_1|Chain... at 100%
5f5bRCSB PDB    PDBbind211aa, >5F5B_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3zotRCSB PDB    PDBbindL6C

Entry Information
PDB ID3zmi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRHOMBOID PROTEASE GLPG
Ligand NameL6C
EC.Number E.C.3.4.21.105
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=1.117uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Structure Vol. 21: pp. 1051
Ligand Properties
Formula C16H15NO3
Molecular Weight 269.295
Exact Mass 269.105
No. of atoms 35
No. of bonds 36
Polar Surface Area 55.4
LOGP Value 2.46      (Computed with XLOGP3)
3.50      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 4
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): P09391  
Entrez Gene IDNCBI Entrez Gene ID: 947936  
ASDInformation of known allosteric effects of PDB entries

 
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