Browse entries in the PDBbind-CN Database

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Related entries of code: 3ml5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3mdzRCSB PDB    PDBbind281aa, >3MDZ_1|Chain... *
6h36RCSB PDB    PDBbind274aa, >6H36_1|Chain... at 93%
6h37RCSB PDB    PDBbind274aa, >6H37_1|Chain... at 93%
6h38RCSB PDB    PDBbind274aa, >6H38_1|Chain... at 93%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1azmRCSB PDB    PDBbindAZM
1jd0RCSB PDB    PDBbindAZM
1ydaRCSB PDB    PDBbindAZM
1ydbRCSB PDB    PDBbindAZM
1yddRCSB PDB    PDBbindAZM
1zsbRCSB PDB    PDBbindAZM
2h4nRCSB PDB    PDBbindAZM
2uy4RCSB PDB    PDBbindAZM
2xtkRCSB PDB    PDBbindAZM
3czvRCSB PDB    PDBbindAZM
3dc3RCSB PDB    PDBbindAZM
3hs4RCSB PDB    PDBbindAZM
3ucjRCSB PDB    PDBbindAZM
4g0cRCSB PDB    PDBbindAZM
4ygfRCSB PDB    PDBbindAZM
5jn8RCSB PDB    PDBbindAZM
Entry Information
PDB ID3ml5
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameC183S/C217S mutant of human CA VII
Ligand NameAZM
EC.Number E.C.4.2.1.1
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)Ki=3.0nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg. Med. Chem. Lett., Vol.22, pp.1560-1564
Ligand Properties
Formula C4H6N4O3S2
Molecular Weight 222.245
Exact Mass 221.988
No. of atoms 19
No. of bonds 19
Polar Surface Area 151.66
LOGP Value -1.23      (Computed with XLOGP3)
1.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
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): P43166  
Entrez Gene IDNCBI Entrez Gene ID: 766  
ASDInformation of known allosteric effects of PDB entries
 
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