Browse entries in the PDBbind-CN Database

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Related entries of code: 5lla
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3czvRCSB PDB    PDBbind264aa, >3CZV_1|Chains... *
4hu1RCSB PDB    PDBbind263aa, >4HU1_1|Chains... at 99%
4knmRCSB PDB    PDBbind263aa, >4KNM_1|Chains... at 99%
4knnRCSB PDB    PDBbind263aa, >4KNN_1|Chains... at 99%
4qizRCSB PDB    PDBbind263aa, >4QIZ_1|Chains... at 99%
4qjpRCSB PDB    PDBbind263aa, >4QJP_1|Chains... at 99%
4qjxRCSB PDB    PDBbind263aa, >4QJX_1|Chain... at 99%
5e2nRCSB PDB    PDBbind263aa, >5E2N_1|Chains... at 99%
6g5uRCSB PDB    PDBbind263aa, >6G5U_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5ll9RCSB PDB    PDBbind6YQ

Entry Information
PDB ID5lla
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCarbonic anhydrase 13
Ligand Name6YQ
EC.Number E.C.-.-.-.-
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)Kd=18.9nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Chemistryselect Vol. 2: pp. 5360-5371
Ligand Properties
Formula C15H12ClN3O3S
Molecular Weight 349.792
Exact Mass 349.029
No. of atoms 35
No. of bonds 37
Polar Surface Area 103.43
LOGP Value 2.14      (Computed with XLOGP3)
4.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
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): Q8N1Q1  
Entrez Gene IDNCBI Entrez Gene ID: 377677  
ASDInformation of known allosteric effects of PDB entries

 
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