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: 6nss
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4pmmRCSB PDB    PDBbind291aa, >4PMM_1|Chain... at 98%
4pmpRCSB PDB    PDBbind291aa, >4PMP_1|Chain... at 98%
4pmsRCSB PDB    PDBbind291aa, >4PMS_1|Chain... at 98%
4pmtRCSB PDB    PDBbind291aa, >4PMT_1|Chain... at 98%
4yneRCSB PDB    PDBbind303aa, >4YNE_1|Chain... at 97%
4ypsRCSB PDB    PDBbind303aa, >4YPS_1|Chain... at 97%
5h3qRCSB PDB    PDBbind324aa, >5H3Q_1|Chain... *
5wr7RCSB PDB    PDBbind304aa, >5WR7_1|Chain... at 100%
6dkbRCSB PDB    PDBbind320aa, >6DKB_1|Chain... at 99%
6dkgRCSB PDB    PDBbind320aa, >6DKG_1|Chain... at 99%
6dkiRCSB PDB    PDBbind320aa, >6DKI_1|Chain... at 99%
6pl3RCSB PDB    PDBbind311aa, >6PL3_1|Chain... at 100%
6pl2RCSB PDB    PDBbind311aa, >6PL2_1|Chain... at 100%
6pl1RCSB PDB    PDBbind311aa, >6PL1_1|Chain... at 100%
6nspRCSB PDB    PDBbind297aa, >6NSP_1|Chain... at 100%
6nptRCSB PDB    PDBbind305aa, >6NPT_1|Chain... at 100%
6j5lRCSB PDB    PDBbind303aa, >6J5L_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 ID6nss
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamehTrkA kinase domain
Ligand NameL0M
EC.Number E.C.2.7.10.1
Resolution 1.97(Å)
Affinity (Kd/Ki/IC50)IC50=1.4nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acs Chem.Biol. Vol. 14: pp. 1205-1216
Ligand Properties
Formula C27H21N5O2
Molecular Weight 447.488
Exact Mass 447.170
No. of atoms 55
No. of bonds 60
Polar Surface Area 71.76
LOGP Value 5.28      (Computed with XLOGP3)
5.73      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 6
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): P04629  
Entrez Gene IDNCBI Entrez Gene ID: 4914  
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