Browse entries in the PDBbind-CN Database

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Related entries of code: 4xqa
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%
3qndRCSB PDB    PDBbind194aa, >3QND_1|Chains... at 100%
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%
4xqbRCSB PDB    PDBbind194aa, >4XQB_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4xqa
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameFiber protein, Ad37 fiber knob
Ligand Name423
EC.Number E.C.-.-.-.-
Resolution 1.41(Å)
Affinity (Kd/Ki/IC50)Kd=10.3uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Org.Biomol.Chem. Vol. 13: pp. 9194-9205
Ligand Properties
Formula C48H76N13O27
Molecular Weight 1267.190
Exact Mass 1266.500
No. of atoms 164
No. of bonds 169
Polar Surface Area 593.91
LOGP Value -11.14      (Computed with XLOGP3)
-11.08      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 27
No. of Rotatable Bonds: 45
No. of Nitrogen and Oxygen Atoms: 40
No. of Rings: 6
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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