Browse entries in the PDBbind-CN Database

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Related entries of code: 4ipi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2wqpRCSB PDB    PDBbind349aa, >2WQP_1|Chain... at 99%
4ipjRCSB PDB    PDBbind351aa, >4IPJ_1|Chain... at 99%
6ppyRCSB PDB    PDBbind349aa, >6PPY_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2yfaRCSB PDB    PDBbindLMR
4ipjRCSB PDB    PDBbindLMR

Entry Information
PDB ID4ipi
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePolysialic acid capsule biosynthesis protein SiaC (R314A mutation)
Ligand NameLMR
EC.Number E.C.
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)Kd=4.8uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Biochemistry Vol. 52: pp. 2609-2619
Ligand Properties
Formula C4H6O5
Molecular Weight 134.087
Exact Mass 134.022
No. of atoms 15
No. of bonds 14
Polar Surface Area 94.83
LOGP Value 1.00      (Computed with XLOGP3)
-1.09      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 0
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): Q57265  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

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