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: 4yuy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4yuwRCSB PDB    PDBbind304aa, >4YUW_1|Chains... *
4yuxRCSB PDB    PDBbind304aa, >4YUX_1|Chains... at 100%
4yuzRCSB PDB    PDBbind304aa, >4YUZ_1|Chains... at 100%
4yv0RCSB PDB    PDBbind304aa, >4YV0_1|Chains... at 100%
4yv1RCSB PDB    PDBbind304aa, >4YV1_1|Chains... at 100%
4yv2RCSB PDB    PDBbind304aa, >4YV2_1|Chains... at 100%
5b1sRCSB PDB    PDBbind304aa, >5B1S_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2ohkRCSB PDB    PDBbind1SQ
3kpwRCSB PDB    PDBbind1SQ

Entry Information
PDB ID4yuy
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSpermidine synthase, putative
Ligand Name1SQ
EC.Number E.C.2.5.1.16
Resolution 1.58(Å)
Affinity (Kd/Ki/IC50)IC50=460uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acta Crystallogr.,Sect.D Vol. 71: pp. 1879-1889
Ligand Properties
Formula C9H8N2
Molecular Weight 144.173
Exact Mass 144.069
No. of atoms 19
No. of bonds 20
Polar Surface Area 38.91
LOGP Value 1.75      (Computed with XLOGP3)
2.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 2
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): Q4DA73  
Entrez Gene IDNCBI Entrez Gene ID: 3542221  
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