Browse entries in the PDBbind-CN Database

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Related entries of code: 3ip6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ip5RCSB PDB    PDBbind356aa, >3IP5_1|Chain... *
3ip9RCSB PDB    PDBbind356aa, >3IP9_1|Chain... at 100%
3ipaRCSB PDB    PDBbind356aa, >3IPA_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5m4qRCSB PDB    PDBbindPRO
5mbyRCSB PDB    PDBbindPRO
6iosRCSB PDB    PDBbindPRO

Entry Information
PDB ID3ip6
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameABC transporter, substrate binding protein (Amino acid);Atu2422-GABA receptor
Ligand NamePRO
EC.Number E.C.-.-.-.-
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)Kd=0.25uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Biol.Chem. Vol. 285: pp. 30294-30303
Ligand Properties
Formula C5H10NO2
Molecular Weight 116.138
Exact Mass 116.071
No. of atoms 18
No. of bonds 18
Polar Surface Area 53.91
LOGP Value -1.48      (Computed with XLOGP3)
0.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
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): Q7CX36  
Entrez Gene IDNCBI Entrez Gene ID: 56369477  
ASDInformation of known allosteric effects of PDB entries

 
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