PDBsum entry 1crn

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Plant protein PDB id
Protein chain
46 a.a. *
* Residue conservation analysis
PDB id:
Name: Plant protein
Title: Water structure of a hydrophobic protein at atomic resolutio pentagon rings of water molecules in crystals of crambin
Structure: Crambin. Chain: a. Engineered: yes
Source: Crambe hispanica subsp. Abyssinica. Organism_taxid: 3721. Strain: subsp. Abyssinica
1.50Å     R-factor:   0.114    
Authors: W.A.Hendrickson,M.M.Teeter
Key ref: M.M.Teeter (1984). Water structure of a hydrophobic protein at atomic resolution: Pentagon rings of water molecules in crystals of crambin. Proc Natl Acad Sci U S A, 81, 6014-6018. PubMed id: 16593516
30-Apr-81     Release date:   28-Jul-81    
Go to PROCHECK summary

Protein chain
Pfam   ArchSchema ?
P01542  (CRAM_CRAAB) -  Crambin
46 a.a.
46 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 1 residue position (black cross)

 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     extracellular region   1 term 
  Biological process     defense response   1 term 


Proc Natl Acad Sci U S A 81:6014-6018 (1984)
PubMed id: 16593516  
Water structure of a hydrophobic protein at atomic resolution: Pentagon rings of water molecules in crystals of crambin.
The water structure has been analyzed for a model of the protein crambin refined against 0.945-A x-ray diffraction data. Crystals contain 32% solvent by volume, and 77% of the solvent molecules have been located-i.e., 2 ethanol molecules and 64 water molecules with 10-14 alternate positions. Many water oxygen atoms found form chains between polar groups on the surface of the protein. However, a cluster of pentagonal arrays made up of 16 water molecules sits at a hydrophobic, intermolecular cleft and forms a cap around the methyl group of leucine-18. Several waters in the cluster are hydrogen-bonded directly to the protein. Additional closed circular arrays, which include both protein atoms and other water oxygen atoms, form next to the central cluster. This water array stretches in the b lattice direction between groups of three ionic side chains.

Literature references that cite this PDB file's key reference

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PDB codes: 388d 389d
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PDB codes: 149l 150l 151l 152l
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PDB code: 1ccm
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PDB code: 5ptp
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A computer model to dynamically simulate protein folding: studies with crambin.
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Monte Carlo simulations of a protein molecule with and without hydration energy calculated by the hydration-shell model.
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