2O9U

Monellin (MNEI) at 1.15 resolution

> Summary

Summary for 2O9U

DescriptorMonellin chain B and Monellin chain A
Functional Keywordsalternative conformations, 3-10 polyproline ii helix, plant protein
Biological sourceDioscoreophyllum cumminsii (serendipity berry)
Total number of polymer chains1
Total molecular weight11803.38
Authors
Hobbs, J.R.,Munger, S.D.,Conn, G.L. (deposition date: 2006-12-14, release date: 2007-02-20, modification date: 2008-06-17)
Primary citation
Hobbs, J.R.,Munger, S.D.,Conn, G.L.
Monellin (MNEI) at 1.15 A resolution
Acta Crystallogr.,Sect.F, 63:162-167, 2007
PubMed: 17329805
DOI: 10.1107/S1744309107005271
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.15 Å)
NMR Information
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.1675102.4%12.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 2o9u
no rotation
Molmil generated image of 2o9u
rotated about x axis by 90°
Molmil generated image of 2o9u
rotated about y axis by 90°

> Structural details

Sequence viewer

Contents of the asymmetric unit

PolymersNumber of chains1
Total molecular weight11419.2
Non-Polymers*Number of molecules4
Total molecular weight384.2
All*Total molecular weight11803.4
*Water molecules are not included.

> Experimental details

Refinement Statistics

Experimental method:X-RAY DIFFRACTION (1.15 Å)

Cell axes27.10366.31627.154
Cell angles90.00111.6090.00
SpacegroupP 1 21 1
Resolution limits22.44 - 1.15
the highest resolution shell value1.180 - 1.150
R-factor0.133
R-work0.13100
the highest resolution shell value0.170
R-free0.16500
the highest resolution shell value0.198
RMSD bond length0.027
RMSD bond angle2.102

Data Collection Statistics

Resolution limits22.44 - 1.15
the highest resolution shell value -
Number of reflections27957
Rmerge_l_obs0.043
the highest resolution shell value0.298
Completeness88.3
Redundancy3.8
the highest resolution shell value3.5
I/sigma(I)0

Crystallization Conditions

crystal IDmethodpHpH rangetemperatureunit
1VAPOR DIFFUSION, HANGING DROP5.6291

Crystallization Reagents

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

> Functional details

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Functional Information from GO Data

ChainGOidnamespacecontents
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC17BINDING SITE FOR RESIDUE SO4 X 1097
ChainResidue
XHOH
XHOH
XHOH
XGLU49
XARG54
XLYS57
XASP79

AC25BINDING SITE FOR RESIDUE SO4 X 1098
ChainResidue
XHOH
XHOH
XHOH
XARG32
XARG40

AC38BINDING SITE FOR RESIDUE SO4 X 1099
ChainResidue
XHOH
XHOH
XHOH
XGLU23
XLYS26
XARG73
XVAL94
XPRO95

AC44BINDING SITE FOR RESIDUE SO4 X 1100
ChainResidue
XHOH
XGLY52
XPHE53
XARG54

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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
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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
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Catalytic Information from CATRES

site_idNumber of ResiduesDetails

> Sequence Neighbor

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