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Related entries of code: 3hu1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3cf1RCSB PDB    PDBbind806aa, >3CF1_1|Chains... *
3hu2RCSB PDB    PDBbind489aa, >3HU2_1|Chains... at 98%
3hu3RCSB PDB    PDBbind489aa, >3HU3_1|Chains... at 98%
4klnRCSB PDB    PDBbind489aa, >4KLN_1|Chains... at 98%
4ko8RCSB PDB    PDBbind489aa, >4KO8_1|Chains... at 98%
4kodRCSB PDB    PDBbind489aa, >4KOD_1|Chains... at 98%
6mckRCSB PDB    PDBbind606aa, >6MCK_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1njfRCSB PDB    PDBbindAGS
1xxhRCSB PDB    PDBbindAGS
3hu2RCSB PDB    PDBbindAGS
3hu3RCSB PDB    PDBbindAGS
4klnRCSB PDB    PDBbindAGS
4ko8RCSB PDB    PDBbindAGS
5mtvRCSB PDB    PDBbindAGS
5zt1RCSB PDB    PDBbindAGS
6jdlRCSB PDB    PDBbindAGS
6jdiRCSB PDB    PDBbindAGS
6j7eRCSB PDB    PDBbindAGS
6bs4RCSB PDB    PDBbindAGS
Entry Information
PDB ID3hu1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTransitional endoplasmic reticulum ATPase, R95G mutant
Ligand NameAGS
EC.Number E.C.-.-.-.-
Resolution 2.81(Å)
Affinity (Kd/Ki/IC50)Kd=0.13uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Embo J. Vol. 29: pp. 2217-2229
Ligand Properties
Formula C10H19N5O12P3S
Molecular Weight 526.270
Exact Mass 525.996
No. of atoms 50
No. of bonds 52
Polar Surface Area 347.95
LOGP Value -5.01      (Computed with XLOGP3)
-1.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 17
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): P55072  
Entrez Gene IDNCBI Entrez Gene ID: 7415  
ASDInformation of known allosteric effects of PDB entries
 
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