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PDBsum entry 1crn

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protein links
Plant protein PDB id
1crn
Jmol
Contents
Protein chain
46 a.a. *
* Residue conservation analysis
PDB id:
1crn
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
Resolution:
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
Date:
30-Apr-81     Release date:   28-Jul-81    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P01542  (CRAM_CRAAB) -  Crambin
Seq:
Struc:
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.
M.M.Teeter.
 
  ABSTRACT  
 
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: 149l 150l 151l 152l
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"Ensemble" iterative relaxation matrix approach: a new NMR refinement protocol applied to the solution structure of crambin.
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PDB code: 1ccm
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Large-amplitude nonlinear motions in proteins.
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Solvent structure in crystals of trypsin determined by X-ray and neutron diffraction.
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PDB code: 5ptp
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Database of homology-derived protein structures and the structural meaning of sequence alignment.
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Water structure in cubic insulin crystals.
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A molecular dynamics study of thermodynamic and structural aspects of the hydration of cavities in proteins.
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A computer model to dynamically simulate protein folding: studies with crambin.
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Describing protein structure: a general algorithm yielding complete helicoidal parameters and a unique overall axis.
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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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Ribosomal protein L7/L12 has a helix-turn-helix motif similar to that found in DNA-binding regulatory proteins.
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3338468 R.M.Lamerichs, L.J.Berliner, R.Boelens, A.De Marco, M.Llinàs, and R.Kaptein (1988).
Secondary structure and hydrogen bonding of crambin in solution. A two-dimensional NMR study.
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3448607 H.Iijima, J.B.Dunbar, and G.R.Marshall (1987).
Calibration of effective van der Waals atomic contact radii for proteins and peptides.
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Ligand--receptor interactions: facts and fantasies.
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The Hofmeister effect and the behaviour of water at interfaces.
  Q Rev Biophys, 18, 323-422.  
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