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: 1xur
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1eubRCSB PDB    PDBbind171aa, >1EUB_1|Chain... at 100%
1flsRCSB PDB    PDBbind165aa, >1FLS_1|Chain... at 100%
1xucRCSB PDB    PDBbind171aa, >1XUC_1|Chains... at 100%
1xudRCSB PDB    PDBbind171aa, >1XUD_1|Chains... at 100%
1youRCSB PDB    PDBbind168aa, >1YOU_1|Chains... at 100%
1ztqRCSB PDB    PDBbind165aa, >1ZTQ_1|Chains... at 100%
2d1nRCSB PDB    PDBbind166aa, >2D1N_1|Chains... at 100%
2ow9RCSB PDB    PDBbind170aa, >2OW9_1|Chains... at 98%
2ozrRCSB PDB    PDBbind170aa, >2OZR_1|Chains... at 98%
2pjtRCSB PDB    PDBbind165aa, >2PJT_1|Chains... at 100%
2yigRCSB PDB    PDBbind171aa, >2YIG_1|Chains... at 100%
3elmRCSB PDB    PDBbind171aa, >3ELM_1|Chains... at 100%
3i7gRCSB PDB    PDBbind171aa, >3I7G_1|Chains... at 100%
3i7iRCSB PDB    PDBbind171aa, >3I7I_1|Chains... at 100%
3kecRCSB PDB    PDBbind167aa, >3KEC_1|Chains... at 100%
3kejRCSB PDB    PDBbind167aa, >3KEJ_1|Chains... at 100%
3kekRCSB PDB    PDBbind167aa, >3KEK_1|Chains... at 100%
3kryRCSB PDB    PDBbind164aa, >3KRY_1|Chains... at 100%
3ljzRCSB PDB    PDBbind164aa, >3LJZ_1|Chains... at 99%
3tvcRCSB PDB    PDBbind169aa, >3TVC_1|Chain... at 100%
3wv1RCSB PDB    PDBbind171aa, >3WV1_1|Chains... at 100%
3wv2RCSB PDB    PDBbind171aa, >3WV2_1|Chains... at 100%
3wv3RCSB PDB    PDBbind171aa, >3WV3_1|Chains... at 100%
3zxhRCSB PDB    PDBbind171aa, >3ZXH_1|Chains... at 100%
456cRCSB PDB    PDBbind168aa, >456C_1|Chains... at 100%
4a7bRCSB PDB    PDBbind169aa, >4A7B_1|Chains... at 100%
4jpaRCSB PDB    PDBbind173aa, >4JPA_1|Chains... *
4l19RCSB PDB    PDBbind171aa, >4L19_1|Chains... at 100%
5b5oRCSB PDB    PDBbind172aa, >5B5O_1|Chains... at 100%
5b5pRCSB PDB    PDBbind172aa, >5B5P_1|Chains... at 100%
5botRCSB PDB    PDBbind171aa, >5BOT_1|Chains... at 100%
5boyRCSB PDB    PDBbind171aa, >5BOY_1|Chains... at 100%
5bpaRCSB PDB    PDBbind171aa, >5BPA_1|Chains... at 100%
5uwkRCSB PDB    PDBbind172aa, >5UWK_1|Chains... at 99%
5uwlRCSB PDB    PDBbind172aa, >5UWL_1|Chains... at 99%
5uwmRCSB PDB    PDBbind172aa, >5UWM_1|Chains... at 99%
5uwnRCSB PDB    PDBbind172aa, >5UWN_1|Chains... at 99%
830cRCSB PDB    PDBbind168aa, >830C_1|Chains... at 100%
6hv2RCSB PDB    PDBbind168aa, >6HV2_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID1xur
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecollagenase 3 (mmp-13)
Ligand NamePB5
EC.Number E.C.3.4.24.0
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)IC50=6600nM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference Chem.Biol. v12 pp. 143-4, 2005
Ligand Properties
Formula C18H16N6O2
Molecular Weight 348.359
Exact Mass 348.133
No. of atoms 42
No. of bonds 44
Polar Surface Area 109.76
LOGP Value 0.27      (Computed with XLOGP3)
1.91      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
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): P45452  
Entrez Gene IDNCBI Entrez Gene ID: 4322  
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