Browse entries in the PDBbind-CN Database

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Related entries of code: 4q0l
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1jd0RCSB PDB    PDBbind263aa, >1JD0_1|Chains... *
4ht2RCSB PDB    PDBbind263aa, >4HT2_1|Chains... at 99%
4kp5RCSB PDB    PDBbind263aa, >4KP5_1|Chains... at 99%
4kp8RCSB PDB    PDBbind263aa, >4KP8_1|Chains... at 99%
4qj0RCSB PDB    PDBbind263aa, >4QJ0_1|Chains... at 99%
4qjoRCSB PDB    PDBbind263aa, >4QJO_1|Chains... at 99%
4qjwRCSB PDB    PDBbind263aa, >4QJW_1|Chains... at 99%
4ww8RCSB PDB    PDBbind263aa, >4WW8_1|Chains... at 99%
5ll5RCSB PDB    PDBbind263aa, >5LL5_1|Chains... at 99%
5ll9RCSB PDB    PDBbind263aa, >5LL9_1|Chains... at 99%
5lloRCSB PDB    PDBbind263aa, >5LLO_1|Chains... at 99%
5llpRCSB PDB    PDBbind263aa, >5LLP_1|Chains... at 99%
5msbRCSB PDB    PDBbind263aa, >5MSB_1|Chains... at 99%
6g7aRCSB PDB    PDBbind263aa, >6G7A_1|Chains... at 99%
6g5lRCSB PDB    PDBbind263aa, >6G5L_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4pyyRCSB PDB    PDBbindV14
4q07RCSB PDB    PDBbindV14
4q09RCSB PDB    PDBbindV14
5e2mRCSB PDB    PDBbindV14
5e2nRCSB PDB    PDBbindV14
6fe1RCSB PDB    PDBbindV14
6ql3RCSB PDB    PDBbindV14
Entry Information
PDB ID4q0l
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman carbonic anhydrase isozyme XII
Ligand NameV14
EC.Number E.C.4.2.1.1
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=20nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 9435-9446
Ligand Properties
Formula C16H23F3N2O5S2
Molecular Weight 444.489
Exact Mass 444.100
No. of atoms 51
No. of bonds 52
Polar Surface Area 143.32
LOGP Value 2.77      (Computed with XLOGP3)
4.98      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
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): O43570  
Entrez Gene IDNCBI Entrez Gene ID: 771  
ASDInformation of known allosteric effects of PDB entries
 
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