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: 3ert
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a52RCSB PDB    PDBbind258aa, >1A52_1|Chains... at 98%
1errRCSB PDB    PDBbind253aa, >1ERR_1|Chains... at 99%
1g50RCSB PDB    PDBbind247aa, >1G50_1|Chains... at 99%
1gwqRCSB PDB    PDBbind248aa, >1GWQ_1|Chains... at 99%
1gwrRCSB PDB    PDBbind245aa, >1GWR_1|Chains... at 99%
1pcgRCSB PDB    PDBbind244aa, >1PCG_1|Chains... at 98%
1qktRCSB PDB    PDBbind248aa, >1QKT_1|Chain... at 98%
1qkuRCSB PDB    PDBbind250aa, >1QKU_1|Chains... at 99%
1sj0RCSB PDB    PDBbind248aa, >1SJ0_1|Chain... at 99%
1uomRCSB PDB    PDBbind254aa, >1UOM_1|Chain... at 98%
1x7eRCSB PDB    PDBbind245aa, >1X7E_1|Chains... at 99%
1x7rRCSB PDB    PDBbind245aa, >1X7R_1|Chain... at 99%
1xp1RCSB PDB    PDBbind248aa, >1XP1_1|Chain... at 99%
1xp6RCSB PDB    PDBbind248aa, >1XP6_1|Chain... at 99%
1xp9RCSB PDB    PDBbind248aa, >1XP9_1|Chain... at 99%
1xpcRCSB PDB    PDBbind248aa, >1XPC_1|Chain... at 99%
1xqcRCSB PDB    PDBbind254aa, >1XQC_1|Chains... at 98%
1zkyRCSB PDB    PDBbind257aa, >1ZKY_1|Chains... at 98%
2ayrRCSB PDB    PDBbind248aa, >2AYR_1|Chain... at 98%
2b1vRCSB PDB    PDBbind257aa, >2B1V_1|Chains... at 98%
2b1zRCSB PDB    PDBbind257aa, >2B1Z_1|Chains... at 98%
2faiRCSB PDB    PDBbind257aa, >2FAI_1|Chains... at 98%
2i0jRCSB PDB    PDBbind244aa, >2I0J_1|Chains... at 98%
2iogRCSB PDB    PDBbind246aa, >2IOG_1|Chain... at 99%
2iokRCSB PDB    PDBbind254aa, >2IOK_1|Chains... at 99%
2p15RCSB PDB    PDBbind258aa, >2P15_1|Chains... at 98%
2pogRCSB PDB    PDBbind248aa, >2POG_1|Chains... at 98%
2q70RCSB PDB    PDBbind248aa, >2Q70_1|Chains... at 98%
2qa8RCSB PDB    PDBbind258aa, >2QA8_2|Chain... at 98%
2qe4RCSB PDB    PDBbind248aa, >2QE4_1|Chains... at 98%
2qh6RCSB PDB    PDBbind258aa, >2QH6_1|Chains... at 98%
2r6wRCSB PDB    PDBbind248aa, >2R6W_1|Chains... at 98%
2r6yRCSB PDB    PDBbind248aa, >2R6Y_1|Chains... at 98%
3erdRCSB PDB    PDBbind261aa, >3ERD_1|Chains... at 97%
4pxmRCSB PDB    PDBbind271aa, >4PXM_1|Chains... *
5ak2RCSB PDB    PDBbind268aa, >5AK2_1|Chains... at 93%
5fqpRCSB PDB    PDBbind248aa, >5FQP_1|Chain... at 98%
5fqrRCSB PDB    PDBbind248aa, >5FQR_1|Chain... at 97%
5fqsRCSB PDB    PDBbind248aa, >5FQS_1|Chain... at 98%
5fqtRCSB PDB    PDBbind248aa, >5FQT_1|Chain... at 98%
5fqvRCSB PDB    PDBbind248aa, >5FQV_1|Chain... at 98%
5gs4RCSB PDB    PDBbind243aa, >5GS4_1|Chain... at 99%
5gtrRCSB PDB    PDBbind243aa, >5GTR_1|Chain... at 99%
5t92RCSB PDB    PDBbind254aa, >5T92_1|Chains... at 98%
5t97RCSB PDB    PDBbind254aa, >5T97_1|Chains... at 98%
6iarRCSB PDB    PDBbind237aa, >6IAR_1|Chain... at 98%
6c42RCSB PDB    PDBbind249aa, >6C42_1|Chains... at 97%
6sq0RCSB PDB    PDBbind252aa, >6SQ0_1|Chains... at 96%
6suoRCSB PDB    PDBbind252aa, >6SUO_1|Chains... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1vjbRCSB PDB    PDBbindOHT
2p7zRCSB PDB    PDBbindOHT
Entry Information
PDB ID3ert
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman estrogen receptors (ER) alpha LBD
Ligand NameOHT
EC.Number E.C.-.-.-.-
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=0.249nM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary Reference (1997) J. Med. Chem., Vol.40, pp.2117-2122
Ligand Properties
Formula C26H30NO2
Molecular Weight 388.522
Exact Mass 388.228
No. of atoms 59
No. of bonds 61
Polar Surface Area 33.9
LOGP Value 6.79      (Computed with XLOGP3)
4.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 3
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): P03372  
Entrez Gene IDNCBI Entrez Gene ID: 2099  
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