Browse entries in the PDBbind-CN Database

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Related entries of code: 3wab
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2jewRCSB PDB    PDBbind306aa, >2JEW_1|Chain... at 97%
2piyRCSB PDB    PDBbind306aa, >2PIY_1|Chains... at 97%
2pizRCSB PDB    PDBbind306aa, >2PIZ_1|Chains... at 97%
2pj0RCSB PDB    PDBbind306aa, >2PJ0_1|Chains... at 97%
2pj1RCSB PDB    PDBbind306aa, >2PJ1_1|Chains... at 97%
2pj2RCSB PDB    PDBbind306aa, >2PJ2_1|Chains... at 97%
2pj3RCSB PDB    PDBbind306aa, >2PJ3_1|Chains... at 97%
2pj4RCSB PDB    PDBbind306aa, >2PJ4_1|Chains... at 97%
2pj5RCSB PDB    PDBbind306aa, >2PJ5_1|Chains... at 97%
2pj6RCSB PDB    PDBbind306aa, >2PJ6_1|Chain... at 97%
2pj7RCSB PDB    PDBbind306aa, >2PJ7_1|Chains... at 97%
2pj8RCSB PDB    PDBbind306aa, >2PJ8_1|Chains... at 97%
2pj9RCSB PDB    PDBbind306aa, >2PJ9_1|Chain... at 97%
2pjaRCSB PDB    PDBbind306aa, >2PJA_1|Chains... at 97%
2pjbRCSB PDB    PDBbind306aa, >2PJB_1|Chains... at 97%
2pjcRCSB PDB    PDBbind306aa, >2PJC_1|Chains... at 97%
3wc5RCSB PDB    PDBbind306aa, >3WC5_1|Chain... at 97%
3wc7RCSB PDB    PDBbind306aa, >3WC7_1|Chain... at 97%
4uiaRCSB PDB    PDBbind307aa, >4UIA_1|Chain... *
4uibRCSB PDB    PDBbind307aa, >4UIB_1|Chain... at 100%
5lrgRCSB PDB    PDBbind306aa, >5LRG_1|Chains... at 97%
5lrjRCSB PDB    PDBbind306aa, >5LRJ_1|Chains... at 97%
5lrkRCSB PDB    PDBbind306aa, >5LRK_1|Chains... at 97%
5zeqRCSB PDB    PDBbind304aa, >5ZEQ_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3wab
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCarboxypeptidase B
Ligand NameDDW
EC.Number E.C.3.4.17.2
Resolution 2.15(Å)
Affinity (Kd/Ki/IC50)IC50=34nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem.Vol. 56: pp.7527-7535.
Ligand Properties
Formula C8H18NO2S
Molecular Weight 192.299
Exact Mass 192.106
No. of atoms 30
No. of bonds 29
Polar Surface Area 103.74
LOGP Value -0.36      (Computed with XLOGP3)
0.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 0
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): P09955  
Entrez Gene IDNCBI Entrez Gene ID: 397341  
ASDInformation of known allosteric effects of PDB entries
 
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