Browse entries in the PDBbind-CN Database

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Related entries of code: 2xde
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1hvnRCSB PDB    PDBbind18aa, >1HVN_2|Chain... at 94%
1hvoRCSB PDB    PDBbind18aa, >1HVO_2|Chain... at 94%
2l4lRCSB PDB    PDBbind45aa, >2L4L_1|Chain... at 93%
2lyaRCSB PDB    PDBbind137aa, >2LYA_1|Chain... at 95%
2lybRCSB PDB    PDBbind137aa, >2LYB_1|Chain... at 95%
2m3zRCSB PDB    PDBbind55aa, >2M3Z_1|Chain... at 100%
2r05RCSB PDB    PDBbind11aa, >2R05_2|Chain... at 100%
4inbRCSB PDB    PDBbind146aa, >4INB_1|Chain... at 100%
4j93RCSB PDB    PDBbind146aa, >4J93_1|Chain... at 100%
4jmuRCSB PDB    PDBbind112aa, >4JMU_1|Chain... at 99%
4qnbRCSB PDB    PDBbind231aa, >4QNB_1|Chain... at 98%
4u0eRCSB PDB    PDBbind231aa, >4U0E_1|Chain... at 98%
4u0fRCSB PDB    PDBbind231aa, >4U0F_1|Chain... at 98%
4xrqRCSB PDB    PDBbind231aa, >4XRQ_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4qnbRCSB PDB    PDBbind1B0
4u0eRCSB PDB    PDBbind1B0
4xrqRCSB PDB    PDBbind1B0
Entry Information
PDB ID2xde
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHIV-1 capsid
Ligand Name1B0
EC.Number E.C.-.-.-.-
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)Kd=3.42uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Plos Pathog. Vol. 6: pp. E1220
Ligand Properties
Formula C27H27N3O2
Molecular Weight 425.522
Exact Mass 425.210
No. of atoms 59
No. of bonds 62
Polar Surface Area 65.2
LOGP Value 4.74      (Computed with XLOGP3)
4.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 5
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): P12497  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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