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: 1o44
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a07RCSB PDB    PDBbind107aa, >1A07_1|Chains... at 99%
1a08RCSB PDB    PDBbind107aa, >1A08_1|Chains... at 99%
1a09RCSB PDB    PDBbind107aa, >1A09_1|Chains... at 99%
1a1bRCSB PDB    PDBbind107aa, >1A1B_1|Chains... at 99%
1a1cRCSB PDB    PDBbind107aa, >1A1C_1|Chains... at 99%
1a1eRCSB PDB    PDBbind107aa, >1A1E_1|Chains... at 99%
1is0RCSB PDB    PDBbind106aa, >1IS0_1|Chains... at 97%
1nlpRCSB PDB    PDBbind64aa, >1NLP_1|Chain... at 93%
1nzlRCSB PDB    PDBbind103aa, >1NZL_1|Chains... at 97%
1nzvRCSB PDB    PDBbind103aa, >1NZV_1|Chains... at 97%
1o41RCSB PDB    PDBbind108aa, >1O41_1|Chain... at 100%
1o42RCSB PDB    PDBbind108aa, >1O42_1|Chain... at 100%
1o43RCSB PDB    PDBbind108aa, >1O43_1|Chain... at 100%
1o45RCSB PDB    PDBbind108aa, >1O45_1|Chain... at 100%
1o46RCSB PDB    PDBbind108aa, >1O46_1|Chain... at 100%
1o47RCSB PDB    PDBbind108aa, >1O47_1|Chain... at 100%
1o48RCSB PDB    PDBbind108aa, >1O48_1|Chain... at 100%
1o49RCSB PDB    PDBbind108aa, >1O49_1|Chain... at 100%
1o4aRCSB PDB    PDBbind108aa, >1O4A_1|Chain... at 100%
1o4bRCSB PDB    PDBbind108aa, >1O4B_1|Chain... at 100%
1o4dRCSB PDB    PDBbind108aa, >1O4D_1|Chain... at 100%
1o4eRCSB PDB    PDBbind108aa, >1O4E_1|Chain... at 100%
1o4fRCSB PDB    PDBbind108aa, >1O4F_1|Chain... at 100%
1o4gRCSB PDB    PDBbind108aa, >1O4G_1|Chain... at 100%
1o4hRCSB PDB    PDBbind108aa, >1O4H_1|Chain... at 100%
1o4iRCSB PDB    PDBbind108aa, >1O4I_1|Chain... at 100%
1o4jRCSB PDB    PDBbind108aa, >1O4J_1|Chain... at 100%
1o4kRCSB PDB    PDBbind108aa, >1O4K_1|Chain... at 100%
1o4lRCSB PDB    PDBbind108aa, >1O4L_1|Chain... at 100%
1o4mRCSB PDB    PDBbind108aa, >1O4M_1|Chain... at 100%
1o4nRCSB PDB    PDBbind108aa, >1O4N_1|Chain... at 100%
1o4oRCSB PDB    PDBbind108aa, >1O4O_1|Chain... at 100%
1o4pRCSB PDB    PDBbind108aa, >1O4P_1|Chain... at 100%
1o4qRCSB PDB    PDBbind108aa, >1O4Q_1|Chain... at 100%
1o4rRCSB PDB    PDBbind108aa, >1O4R_1|Chain... at 100%
1prlRCSB PDB    PDBbind64aa, >1PRL_1|Chain... at 96%
1prmRCSB PDB    PDBbind64aa, >1PRM_1|Chain... at 96%
1rlpRCSB PDB    PDBbind64aa, >1RLP_1|Chain... at 96%
1rlqRCSB PDB    PDBbind64aa, >1RLQ_1|Chain... at 96%
1shdRCSB PDB    PDBbind107aa, >1SHD_1|Chain... at 99%
1skjRCSB PDB    PDBbind113aa, >1SKJ_1|Chain... at 90%
1y57RCSB PDB    PDBbind452aa, >1Y57_1|Chain... at 99%
2bdfRCSB PDB    PDBbind279aa, >2BDF_1|Chains... at 100%
2bdjRCSB PDB    PDBbind279aa, >2BDJ_1|Chain... at 100%
2h8hRCSB PDB    PDBbind535aa, >2H8H_1|Chain... *
2hwoRCSB PDB    PDBbind286aa, >2HWO_1|Chains... at 97%
2hwpRCSB PDB    PDBbind286aa, >2HWP_1|Chains... at 97%
2oiqRCSB PDB    PDBbind286aa, >2OIQ_1|Chains... at 98%
2qlqRCSB PDB    PDBbind286aa, >2QLQ_1|Chains... at 97%
2qq7RCSB PDB    PDBbind286aa, >2QQ7_1|Chains... at 97%
3el7RCSB PDB    PDBbind286aa, >3EL7_1|Chain... at 98%
3el8RCSB PDB    PDBbind286aa, >3EL8_1|Chains... at 98%
3f3tRCSB PDB    PDBbind286aa, >3F3T_1|Chains... at 97%
3f3uRCSB PDB    PDBbind286aa, >3F3U_1|Chains... at 97%
3f3vRCSB PDB    PDBbind286aa, >3F3V_1|Chains... at 97%
3f3wRCSB PDB    PDBbind286aa, >3F3W_1|Chains... at 97%
3g5dRCSB PDB    PDBbind286aa, >3G5D_1|Chains... at 97%
3g6gRCSB PDB    PDBbind286aa, >3G6G_1|Chains... at 98%
3g6hRCSB PDB    PDBbind286aa, >3G6H_1|Chains... at 97%
3lokRCSB PDB    PDBbind286aa, >3LOK_1|Chains... at 97%
3svvRCSB PDB    PDBbind286aa, >3SVV_1|Chains... at 97%
3u4wRCSB PDB    PDBbind275aa, >3U4W_1|Chain... at 99%
3u51RCSB PDB    PDBbind275aa, >3U51_1|Chains... at 99%
3uqfRCSB PDB    PDBbind286aa, >3UQF_1|Chains... at 98%
3uqgRCSB PDB    PDBbind286aa, >3UQG_1|Chains... at 98%
4dggRCSB PDB    PDBbind286aa, >4DGG_1|Chains... at 98%
4ficRCSB PDB    PDBbind286aa, >4FIC_1|Chains... at 98%
4hxjRCSB PDB    PDBbind60aa, >4HXJ_1|Chains... at 98%
4lggRCSB PDB    PDBbind270aa, >4LGG_1|Chains... at 98%
4lghRCSB PDB    PDBbind277aa, >4LGH_1|Chains... at 98%
4mcvRCSB PDB    PDBbind278aa, >4MCV_1|Chains... at 98%
4o2pRCSB PDB    PDBbind286aa, >4O2P_1|Chains... at 98%
4u5jRCSB PDB    PDBbind286aa, >4U5J_1|Chains... at 98%
4ybjRCSB PDB    PDBbind286aa, >4YBJ_1|Chains... at 98%
4ybkRCSB PDB    PDBbind286aa, >4YBK_1|Chain... at 98%
5bmmRCSB PDB    PDBbind286aa, >5BMM_1|Chains... at 98%
5d10RCSB PDB    PDBbind286aa, >5D10_1|Chains... at 97%
5d11RCSB PDB    PDBbind286aa, >5D11_1|Chains... at 97%
5d12RCSB PDB    PDBbind286aa, >5D12_1|Chains... at 97%
6f3fRCSB PDB    PDBbind455aa, >6F3F_1|Chain... at 98%
5xp7RCSB PDB    PDBbind286aa, >5XP7_1|Chains... at 98%
5tehRCSB PDB    PDBbind286aa, >5TEH_1|Chains... at 97%
5sysRCSB PDB    PDBbind286aa, >5SYS_1|Chains... at 97%
5swhRCSB PDB    PDBbind286aa, >5SWH_1|Chains... 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 ID1o44
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameproto-oncogene tyrosine-protein kinase src
Ligand Name852
EC.Number E.C.2.7.1.112
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)IC50=3nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem. v46 pp. 5184-95, 2003
Ligand Properties
Formula C34H35N3O9
Molecular Weight 629.656
Exact Mass 629.237
No. of atoms 81
No. of bonds 84
Polar Surface Area 190.41
LOGP Value 6.36      (Computed with XLOGP3)
3.77      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 4
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): P12931  
Entrez Gene IDNCBI Entrez Gene ID: 6714  
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