Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 5w13
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4u0xRCSB PDB    PDBbind360aa, >4U0X_1|Chains... at 100%
5w12RCSB PDB    PDBbind361aa, >5W12_1|Chains... *
5w14RCSB PDB    PDBbind361aa, >5W14_1|Chains... at 100%
5wacRCSB PDB    PDBbind361aa, >5WAC_1|Chains... at 100%
5wadRCSB PDB    PDBbind361aa, >5WAD_1|Chains... at 100%
5waeRCSB PDB    PDBbind361aa, >5WAE_1|Chains... at 100%
5wafRCSB PDB    PDBbind361aa, >5WAF_1|Chains... at 100%
5wagRCSB PDB    PDBbind361aa, >5WAG_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1mxoRCSB PDB    PDBbindSM2
1nxyRCSB PDB    PDBbindSM2
1pi5RCSB PDB    PDBbindSM2
1ym1RCSB PDB    PDBbindSM2

Entry Information
PDB ID5w13
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAcinetobacter-derived cephalosporinases
Ligand NameSM2
EC.Number E.C.-.-.-.-
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)Ki=22nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) ACS Infect Dis Vol. : pp.337-348
Ligand Properties
Formula C14H14BNO5S
Molecular Weight 319.141
Exact Mass 319.069
No. of atoms 36
No. of bonds 37
Polar Surface Area 135.1
LOGP Value 1.93      (Computed with XLOGP3)
1.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
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): Q6DRA1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝e湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com