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Related entries of code: 3qnd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1uxaRCSB PDB    PDBbind194aa, >1UXA_1|Chains... *
1uxbRCSB PDB    PDBbind194aa, >1UXB_1|Chains... at 98%
4k6tRCSB PDB    PDBbind194aa, >4K6T_1|Chains... at 100%
4k6uRCSB PDB    PDBbind194aa, >4K6U_1|Chains... at 100%
4k6vRCSB PDB    PDBbind194aa, >4K6V_1|Chains... at 100%
4k6wRCSB PDB    PDBbind194aa, >4K6W_1|Chains... at 100%
4xqaRCSB PDB    PDBbind194aa, >4XQA_1|Chains... at 100%
4xqbRCSB PDB    PDBbind194aa, >4XQB_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2qwbRCSB PDB    PDBbindSIA
2zg1RCSB PDB    PDBbindSIA
2zg3RCSB PDB    PDBbindSIA
4d62RCSB PDB    PDBbindSIA
4d63RCSB PDB    PDBbindSIA
4nrkRCSB PDB    PDBbindSIA
4nrlRCSB PDB    PDBbindSIA
4x11RCSB PDB    PDBbindSIA
6er3RCSB PDB    PDBbindSIA
6er4RCSB PDB    PDBbindSIA
6g47RCSB PDB    PDBbindSIA
Entry Information
PDB ID3qnd
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameFiber protein
Ligand NameSIA
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Kd=14uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Angew.Chem.Int.Ed.Engl. Vol. 50: pp. 6519-6521
Ligand Properties
Formula C11H19NO9
Molecular Weight 309.270
Exact Mass 309.106
No. of atoms 40
No. of bonds 40
Polar Surface Area 176.78
LOGP Value -2.58      (Computed with XLOGP3)
-3.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 10
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): Q64823  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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