Browse entries in the PDBbind-CN Database

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Related entries of code: 2rox
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1bm7RCSB PDB    PDBbind127aa, >1BM7_1|Chains... at 100%
1e4hRCSB PDB    PDBbind127aa, >1E4H_1|Chains... at 100%
1e5aRCSB PDB    PDBbind127aa, >1E5A_1|Chains... at 100%
1rlbRCSB PDB    PDBbind127aa, >1RLB_1|Chains... at 99%
1tyrRCSB PDB    PDBbind127aa, >1TYR_1|Chains... at 100%
2b9aRCSB PDB    PDBbind127aa, >2B9A_1|Chains... at 100%
2f7iRCSB PDB    PDBbind127aa, >2F7I_1|Chains... at 100%
2f8iRCSB PDB    PDBbind127aa, >2F8I_1|Chains... at 100%
2g5uRCSB PDB    PDBbind127aa, >2G5U_1|Chains... at 100%
3cfnRCSB PDB    PDBbind118aa, >3CFN_1|Chains... at 100%
3cftRCSB PDB    PDBbind118aa, >3CFT_1|Chains... at 100%
3cn0RCSB PDB    PDBbind127aa, >3CN0_1|Chains... at 100%
3d2tRCSB PDB    PDBbind127aa, >3D2T_1|Chains... at 100%
3fc8RCSB PDB    PDBbind124aa, >3FC8_1|Chains... at 100%
3fcbRCSB PDB    PDBbind124aa, >3FCB_1|Chains... at 100%
3gs7RCSB PDB    PDBbind127aa, >3GS7_1|Chains... at 100%
3hj0RCSB PDB    PDBbind127aa, >3HJ0_1|Chains... at 100%
3ipbRCSB PDB    PDBbind127aa, >3IPB_1|Chains... at 100%
3ipeRCSB PDB    PDBbind127aa, >3IPE_1|Chains... at 100%
3kgtRCSB PDB    PDBbind127aa, >3KGT_1|Chains... at 99%
3kguRCSB PDB    PDBbind127aa, >3KGU_1|Chains... at 100%
3neeRCSB PDB    PDBbind116aa, >3NEE_1|Chains... at 100%
3neoRCSB PDB    PDBbind116aa, >3NEO_1|Chains... at 100%
3nesRCSB PDB    PDBbind116aa, >3NES_1|Chains... at 99%
3nexRCSB PDB    PDBbind116aa, >3NEX_1|Chains... at 99%
3p3rRCSB PDB    PDBbind127aa, >3P3R_1|Chains... at 100%
3p3sRCSB PDB    PDBbind127aa, >3P3S_1|Chains... at 100%
3p3tRCSB PDB    PDBbind127aa, >3P3T_1|Chains... at 100%
3p3uRCSB PDB    PDBbind127aa, >3P3U_1|Chains... at 100%
3tctRCSB PDB    PDBbind127aa, >3TCT_1|Chains... at 100%
4abuRCSB PDB    PDBbind124aa, >4ABU_1|Chains... at 100%
4abvRCSB PDB    PDBbind124aa, >4ABV_1|Chains... at 100%
4d7bRCSB PDB    PDBbind128aa, >4D7B_1|Chains... at 99%
4derRCSB PDB    PDBbind116aa, >4DER_1|Chains... at 100%
4desRCSB PDB    PDBbind116aa, >4DES_1|Chains... at 100%
4detRCSB PDB    PDBbind116aa, >4DET_1|Chains... at 100%
4deuRCSB PDB    PDBbind117aa, >4DEU_1|Chains... at 99%
4dewRCSB PDB    PDBbind147aa, >4DEW_1|Chains... at 100%
4hiqRCSB PDB    PDBbind127aa, >4HIQ_1|Chains... at 99%
4hisRCSB PDB    PDBbind127aa, >4HIS_1|Chains... at 99%
4ydnRCSB PDB    PDBbind127aa, >4YDN_1|Chains... at 99%
5a6iRCSB PDB    PDBbind128aa, >5A6I_1|Chain... at 98%
5aytRCSB PDB    PDBbind159aa, >5AYT_1|Chains... *
5bojRCSB PDB    PDBbind127aa, >5BOJ_1|Chains... at 100%
5en3RCSB PDB    PDBbind127aa, >5EN3_1|Chains... at 100%
5ihhRCSB PDB    PDBbind127aa, >5IHH_1|Chains... at 100%
5jidRCSB PDB    PDBbind127aa, >5JID_1|Chains... at 100%
5jimRCSB PDB    PDBbind127aa, >5JIM_1|Chains... at 100%
5jiqRCSB PDB    PDBbind127aa, >5JIQ_1|Chains... at 100%
5l4fRCSB PDB    PDBbind127aa, >5L4F_1|Chains... at 100%
5l4iRCSB PDB    PDBbind127aa, >5L4I_1|Chains... at 100%
5l4jRCSB PDB    PDBbind127aa, >5L4J_1|Chains... at 100%
5l4mRCSB PDB    PDBbind127aa, >5L4M_1|Chains... at 100%
5u48RCSB PDB    PDBbind128aa, >5U48_1|Chains... at 99%
5u49RCSB PDB    PDBbind128aa, >5U49_1|Chain... at 99%
5u4aRCSB PDB    PDBbind128aa, >5U4A_1|Chains... at 99%
5u4bRCSB PDB    PDBbind128aa, >5U4B_1|Chains... at 99%
5u4cRCSB PDB    PDBbind128aa, >5U4C_1|Chains... at 99%
5u4dRCSB PDB    PDBbind128aa, >5U4D_1|Chains... at 99%
5u4eRCSB PDB    PDBbind128aa, >5U4E_1|Chains... at 99%
5u4fRCSB PDB    PDBbind128aa, >5U4F_1|Chains... at 99%
5u4gRCSB PDB    PDBbind128aa, >5U4G_1|Chains... at 99%
6gr7RCSB PDB    PDBbind127aa, >6GR7_1|Chains... at 100%
6grpRCSB PDB    PDBbind127aa, >6GRP_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1hk1RCSB PDB    PDBbindT44
1hk2RCSB PDB    PDBbindT44
1hk3RCSB PDB    PDBbindT44
1hk4RCSB PDB    PDBbindT44
1hk5RCSB PDB    PDBbindT44
1y0xRCSB PDB    PDBbindT44
2ceoRCSB PDB    PDBbindT44
Entry Information
PDB ID2rox
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman transthyretin
Ligand NameT44
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=10.5uM
Release Year1997
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg. Med. Chem. Lett., Vol.19, pp.5270-5273
Ligand Properties
Formula C15H12I4NO4
Molecular Weight 777.878
Exact Mass 777.695
No. of atoms 36
No. of bonds 37
Polar Surface Area 94.4
LOGP Value 3.25      (Computed with XLOGP3)
3.84      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
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): P02766  
Entrez Gene IDNCBI Entrez Gene ID: 7276  
ASDInformation of known allosteric effects of PDB entries
 
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