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: 2wca
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2j47RCSB PDB    PDBbind716aa, >2J47_1|Chain... at 100%
2j4gRCSB PDB    PDBbind715aa, >2J4G_1|Chains... at 100%
2jiwRCSB PDB    PDBbind716aa, >2JIW_1|Chains... at 99%
2vvnRCSB PDB    PDBbind737aa, >2VVN_1|Chains... *
2vvsRCSB PDB    PDBbind737aa, >2VVS_1|Chain... at 100%
2w4xRCSB PDB    PDBbind716aa, >2W4X_1|Chain... at 100%
2w66RCSB PDB    PDBbind716aa, >2W66_1|Chains... at 100%
2w67RCSB PDB    PDBbind716aa, >2W67_1|Chains... at 100%
2xj7RCSB PDB    PDBbind716aa, >2XJ7_1|Chains... at 100%
2xm1RCSB PDB    PDBbind716aa, >2XM1_1|Chains... at 100%
2xm2RCSB PDB    PDBbind716aa, >2XM2_1|Chains... at 100%
5abeRCSB PDB    PDBbind726aa, >5ABE_1|Chains... at 98%
5abfRCSB PDB    PDBbind726aa, >5ABF_2|Chain... at 98%
5abgRCSB PDB    PDBbind726aa, >5ABG_1|Chains... at 98%
5abhRCSB PDB    PDBbind726aa, >5ABH_1|Chains... at 98%
5fkyRCSB PDB    PDBbind716aa, >5FKY_1|Chains... at 100%
5fl0RCSB PDB    PDBbind716aa, >5FL0_1|Chains... at 100%
5fl1RCSB PDB    PDBbind716aa, >5FL1_1|Chains... at 100%
5mi5RCSB PDB    PDBbind727aa, >5MI5_1|Chain... at 97%
5mi6RCSB PDB    PDBbind727aa, >5MI6_1|Chain... at 97%
5mi7RCSB PDB    PDBbind727aa, >5MI7_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3gs6RCSB PDB    PDBbindNP6
Entry Information
PDB ID2wca
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameO-GlcNAcase BTGH84
Ligand NameNP6
EC.Number E.C.3.2.1.52
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki=2.5uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Protein Sci. Vol. 18: pp. 1541-1551
Ligand Properties
Formula C17H23N3O7
Molecular Weight 381.380
Exact Mass 381.154
No. of atoms 50
No. of bonds 51
Polar Surface Area 149.71
LOGP Value 0.55      (Computed with XLOGP3)
0.41      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 10
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): Q89ZI2  
Entrez Gene IDNCBI Entrez Gene ID: 60925570  
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