1CRN

WATER STRUCTURE OF A HYDROPHOBIC PROTEIN AT ATOMIC RESOLUTION. PENTAGON RINGS OF WATER MOLECULES IN CRYSTALS OF CRAMBIN

> Summary

Summary for 1CRN

DescriptorCRAMBIN
Functional Keywordsplant seed protein, plant protein
Biological sourceCrambe hispanica subsp. abyssinica
Cellular locationSecreted P01542
Total number of polymer chains1
Total molecular weight4738.46
Authors
Hendrickson, W.A.,Teeter, M.M. (deposition date: 1981-04-30, release date: 1981-07-28, Last modification date: 2012-07-11)
Primary citation
Teeter, M.M.
Water structure of a hydrophobic protein at atomic resolution: Pentagon rings of water molecules in crystals of crambin.
Proc.Natl.Acad.Sci.Usa, 81:6014-6018, 1984
PubMed: 16593516
DOI: 10.1073/pnas.81.19.6014
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.5 Å)
NMR Information
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Structure validation

ClashscoreRamachandran outliersSidechain outliers000MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 1crn
no rotation
Molmil generated image of 1crn
rotated about x axis by 90°
Molmil generated image of 1crn
rotated about y axis by 90°

> Structural details

Sequence viewer

Contents of the asymmetric unit

PolymersNumber of chains1
Total molecular weight4738.5
Non-Polymers*Number of molecules0
Total molecular weight0.0
All*Total molecular weight4738.5
*Water molecules are not included.

> Experimental details

Refinement Statistics

Experimental method:X-RAY DIFFRACTION (1.5 Å)

Cell axes40.96018.65022.520
Cell angles90.0090.7790.00
SpacegroupP 1 21 1
Resolution limits - 1.50
the highest resolution shell value -
R-factor0.144*

Data Collection Statistics

Resolution limits -
the highest resolution shell value -
Number of reflections21045*

Crystallization Conditions

crystal IDmethodpHpH rangetemperatureunit
1unknown*K*

Crystallization Reagents

IDcrystal IDsolution IDreagent nameconcentrationdetails
Crystallization Reagents in Literatures*
IDcrystal IDsolutionreagent nameconcentration (unit)details
111ethanol60 (%)
Annotated Information is extracted from Literature Info*

> Functional details

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Functional Information from GO Data

ChainGOidnamespacecontents
A0005576cellular_componentextracellular region
A0006952biological_processdefense response
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
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Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
PS002711Plant thionins signature. C-C-x(5)-R-x(2)-[FY]-x(2)-C
ChainResidueDetails
ACYS3-CYS16

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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
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Catalytic Information from CSA

site_idNumber of ResiduesDetails

> Sequence Neighbor

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