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- PDB-4wp2: Chaetomium Mex67 UBA domain -

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Basic information

Entry
Database: PDB / ID: 4wp2
TitleChaetomium Mex67 UBA domain
ComponentsPutative mRNA export protein
KeywordsTRANSPORT PROTEIN / nuclear export factor
Function / homology
Function and homology information


poly(A)+ mRNA export from nucleus / RNA binding / nucleus
Similarity search - Function
Mex67, RNA recognition motif / RNA recognition motif / TAP C-terminal (TAP-C) domain / TAP C-terminal domain / TAP C-terminal (TAP-C) domain profile. / C-terminal domain of vertebrate Tap protein / Nuclear RNA export factor / Nuclear transport factor 2, eukaryote / Nuclear transport factor 2 domain profile. / Ubiquitin-associated (UBA) domain ...Mex67, RNA recognition motif / RNA recognition motif / TAP C-terminal (TAP-C) domain / TAP C-terminal domain / TAP C-terminal (TAP-C) domain profile. / C-terminal domain of vertebrate Tap protein / Nuclear RNA export factor / Nuclear transport factor 2, eukaryote / Nuclear transport factor 2 domain profile. / Ubiquitin-associated (UBA) domain / UBA-like superfamily / NTF2-like domain superfamily / Leucine-rich repeat profile. / Helicase, Ruva Protein; domain 3 / Leucine-rich repeat / Leucine-rich repeat domain superfamily / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
Putative mRNA export protein
Similarity search - Component
Biological speciesChaetomium thermophilum (fungus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 1.7 Å
AuthorsAibara, S. / Stewart, M.
Funding support United Kingdom, 1items
OrganizationGrant numberCountry
Medical Research Council (United Kingdom) United Kingdom
CitationJournal: Acta Crystallogr.,Sect.F / Year: 2015
Title: Structural characterization of the principal mRNA-export factor Mex67-Mtr2 from Chaetomium thermophilum.
Authors: Aibara, S. / Valkov, E. / Lamers, M.H. / Dimitrova, L. / Hurt, E. / Stewart, M.
History
DepositionOct 17, 2014Deposition site: RCSB / Processing site: PDBE
Revision 1.0Jul 15, 2015Provider: repository / Type: Initial release
Revision 2.0Sep 13, 2017Group: Advisory / Atomic model / Author supporting evidence
Category: atom_site / pdbx_audit_support ...atom_site / pdbx_audit_support / pdbx_validate_close_contact / pdbx_validate_symm_contact
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _pdbx_audit_support.funding_organization / _pdbx_validate_close_contact.auth_seq_id_1 / _pdbx_validate_close_contact.auth_seq_id_2 / _pdbx_validate_symm_contact.auth_seq_id_1 / _pdbx_validate_symm_contact.auth_seq_id_2

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Putative mRNA export protein
B: Putative mRNA export protein
C: Putative mRNA export protein
D: Putative mRNA export protein
E: Putative mRNA export protein
F: Putative mRNA export protein
G: Putative mRNA export protein
H: Putative mRNA export protein


Theoretical massNumber of molelcules
Total (without water)54,3168
Polymers54,3168
Non-polymers00
Water6,467359
1


  • Idetical with deposited unit
  • defined by software
  • OCTAMERIC
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area6930 Å2
ΔGint-48 kcal/mol
Surface area25070 Å2
MethodPISA
Unit cell
Length a, b, c (Å)95.903, 95.903, 74.967
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number152
Space group name H-MP3121
Components on special symmetry positions
IDModelComponents
11G-709-

HOH

21H-704-

HOH

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Components

#1: Protein
Putative mRNA export protein


Mass: 6789.470 Da / Num. of mol.: 8 / Fragment: UNP residues 600-657
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Chaetomium thermophilum (fungus) / Strain: DSM 1495 / CBS 144.50 / IMI 039719 / Gene: CTHT_0059630 / Production host: Escherichia coli (E. coli) / References: UniProt: G0SET4
#2: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 359 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

CrystalDensity Matthews: 1.83 Å3/Da / Density % sol: 32.87 %
Crystal growTemperature: 291 K / Method: vapor diffusion, hanging drop
Details: see publication for precise details. Cacodylate buffer employed.

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I04-1 / Wavelength: 0.92 Å
DetectorType: PSI PILATUS 6M / Detector: PIXEL / Date: Mar 30, 2013
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.92 Å / Relative weight: 1
ReflectionResolution: 1.7→48 Å / Num. all: 734115 / Num. obs: 44143 / % possible obs: 100 % / Redundancy: 16.6 % / Net I/σ(I): 19.8

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Processing

SoftwareName: PHENIX / Version: (phenix.refine: 1.9_1692) / Classification: refinement
RefinementResolution: 1.7→41.527 Å / SU ML: 0.23 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 27.14 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2402 2217 5.04 %
Rwork0.1982 --
obs0.2003 44030 99.78 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 1.7→41.527 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3675 0 0 359 4034
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0063731
X-RAY DIFFRACTIONf_angle_d1.0515064
X-RAY DIFFRACTIONf_dihedral_angle_d13.4871377
X-RAY DIFFRACTIONf_chiral_restr0.038569
X-RAY DIFFRACTIONf_plane_restr0.005676
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.7001-1.7370.36541600.29572574X-RAY DIFFRACTION100
1.737-1.77740.38681420.29632594X-RAY DIFFRACTION100
1.7774-1.82190.27871140.26832615X-RAY DIFFRACTION100
1.8219-1.87110.30971240.25572603X-RAY DIFFRACTION100
1.8711-1.92620.30841300.2472586X-RAY DIFFRACTION100
1.9262-1.98840.27211400.23532572X-RAY DIFFRACTION100
1.9884-2.05940.27141490.21482595X-RAY DIFFRACTION100
2.0594-2.14190.23731340.20762614X-RAY DIFFRACTION100
2.1419-2.23940.23951420.18492590X-RAY DIFFRACTION100
2.2394-2.35740.23821340.18652607X-RAY DIFFRACTION100
2.3574-2.50510.23251380.18672614X-RAY DIFFRACTION100
2.5051-2.69850.18621360.19212628X-RAY DIFFRACTION100
2.6985-2.970.24971460.18972623X-RAY DIFFRACTION100
2.97-3.39960.2291550.19232617X-RAY DIFFRACTION100
3.3996-4.28240.21331290.16742654X-RAY DIFFRACTION100
4.2824-41.53960.22471440.19172727X-RAY DIFFRACTION98
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
10.61330.48020.41671.2864-0.15120.58060.51120.27530.69370.1832-0.2631-0.0921-0.0946-0.11640.3840.21670.08690.0350.24610.04320.338311.448524.125422.2711
21.0315-0.1527-1.34940.08120.1922.00140.21190.1566-0.3250.2841-0.2043-0.5077-0.2382-0.19250.04250.22610.0119-0.07590.18310.00450.354116.148814.721924.2651
30.15080.09150.04170.1363-0.04050.04990.2347-0.1096-0.41770.2777-0.11510.20770.090.02380.00060.30310.0245-0.03080.3277-0.07570.482426.105620.906525.14
43.0540.13610.10950.0581-0.00941.0896-0.58420.09780.080.49360.2843-0.095-0.3708-0.0866-1.0740.36250.1498-0.0970.2198-0.0290.219514.173233.565510.4879
50.11380.1429-0.07450.1793-0.0930.05710.2003-0.0462-0.08070.3859-0.0677-0.1749-0.1391-0.0225-0.14571.37240.2397-0.27520.5566-0.21410.630116.557839.625919.9448
60.6149-0.26650.20150.1198-0.10960.22760.25710.73170.12760.0557-0.16140.112-0.21380.0376-0.0120.23940.03970.03070.3276-0.02830.1938-3.217543.56592.5455
70.35540.4483-0.07370.6505-0.15880.26630.13430.7659-0.59570.017-0.155-0.09560.0302-0.0002-0.15350.22610.0596-0.01810.3476-0.13310.22032.951436.2570.7516
81.82380.2513-2.36490.3381-0.65043.43120.01090.3553-0.16140.08880.4703-1.05540.1007-0.06121.71470.4585-0.0251-0.160.3295-0.23360.6864-4.658128.0816-1.2646
90.62340.1632-0.13480.09380.13490.3361-0.12860.3083-0.03370.0277-0.15050.09530.0613-0.3128-0.20840.20070.0138-0.0240.2844-0.06150.2033-12.673544.928415.1914
100.00350.0314-0.00040.1405-0.00420.0046-0.30890.26770.0936-0.34120.2669-0.2939-0.6505-0.06680.00370.5096-0.0941-0.1810.9190.23660.9225-15.196353.38833.4393
111.2030.01390.03540.054-0.04240.31250.45040.30630.66820.0843-0.1968-0.234-0.0144-0.02590.02790.26650.0290.01130.2099-0.0070.3629-13.092265.250422.6997
120.32040.14340.04540.15180.20.28360.2091-0.11440.0220.123-0.1096-0.24750.17440.02220.02870.22070.0334-0.07930.2374-0.02150.2682-8.294255.9225.2821
130.08920.0389-0.0210.02220.00070.0320.2281-0.0639-0.16590.3991-0.4061-0.08220.08720.4528-0.00010.3776-0.0144-0.08230.3523-0.04490.34451.991961.840926.1906
140.1842-0.1407-0.40250.72830.22970.9248-0.2878-0.3783-0.17150.2921-0.1116-0.1113-0.0189-0.0757-0.79390.3510.2264-0.05950.20350.06070.2657-8.498668.602114.7108
151.76380.42530.38822.42651.82611.3733-0.4649-0.2643-0.11050.46690.30250.4262-0.47070.0302-0.14330.43130.21970.0090.2355-0.01390.2654-14.529275.793513.9919
160.01110.0065-0.01450.03090.00090.0205-0.25730.1293-0.00050.02830.1181-0.1486-0.0292-0.1325-0.00030.19490.01480.0490.1826-0.03310.2662-12.541770.94473.8655
170.5270.3638-0.0740.30890.01790.1216-0.50820.38310.30840.26240.2935-0.6034-0.38850.3064-0.09280.29520.0165-0.11470.2089-0.04050.3637-6.406680.25578.899
180-0.0005-0.00030.00020.0002-0.00020.0391-0.0003-0.07010.04460.01390.0357-0.076-0.0330.25781.17220.57140.14990.2914-0.09050.4372-15.158484.371519.2195
190.0127-0.008-0.02260.04360.03870.05870.0327-0.0671-0.02020.04-0.0441-0.0123-0.04350.1687-0.06821.00020.0181-0.38950.7071-0.03440.3809-7.330979.483122.773
200.37510.2183-0.11470.2584-0.17210.43970.0620.353-0.32760.1577-0.08010.1662-0.1472-0.0422-0.03280.21940.04050.00180.2048-0.08240.2775-23.775381.04983.4398
210.0173-0.1449-0.09611.07670.63463.8134-0.02360.9285-1.2675-0.32980.2601-0.0653-0.1533-0.00920.22290.16630.0008-0.05540.4008-0.2260.5523-19.581573.7434-4.2367
221.63970.1683-1.15890.1754-0.44481.5603-0.33020.34470.06630.16380.4668-0.82650.10070.00260.11690.3591-0.0356-0.11780.2608-0.07540.5936-30.971170.4044-0.6719
230.0637-0.0694-0.08730.07480.09590.09210.04310.4101-0.1427-0.0288-0.0967-0.17440.0923-0.0765-0.00030.22270.0357-0.01150.2177-0.05180.191-32.062382.738611.1188
241.91440.23931.89511.1407-0.13741.98670.14770.13970.5257-0.3584-0.575-0.1612-0.633-0.6351-0.47170.28630.154-0.0160.25260.03150.1831-35.348791.673311.2315
250.0139-0.002-0.01460.02550.00860.02030.163-0.1785-0.01270.0444-0.25760.04870.0185-0.221400.21270.0104-0.01460.25340.0160.2153-31.587288.061121.4716
260.7259-0.10780.16670.96740.57720.41640.3832-0.3066-0.2119-0.0431-0.52890.2441-0.0107-0.9275-0.03410.19420.017-0.05370.4329-0.0910.2991-42.897487.143316.9829
270.1739-0.07460.02380.0311-0.010.0038-0.02270.03910.0765-0.0096-0.0399-0.0716-0.0677-0.0178-0.03160.75220.5249-0.18860.73890.20310.6393-43.144895.79395.66
280.52220.2147-0.24840.0895-0.10080.1175-0.11370.2999-0.2155-0.2063-0.3085-0.00820.2656-0.353-0.0250.92960.0329-0.24580.955-0.15550.5004-41.815383.46263.9852
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 597 through 613 )
2X-RAY DIFFRACTION2chain 'A' and (resid 614 through 645 )
3X-RAY DIFFRACTION3chain 'A' and (resid 646 through 657 )
4X-RAY DIFFRACTION4chain 'B' and (resid 600 through 645 )
5X-RAY DIFFRACTION5chain 'B' and (resid 646 through 657 )
6X-RAY DIFFRACTION6chain 'C' and (resid 597 through 613 )
7X-RAY DIFFRACTION7chain 'C' and (resid 614 through 641 )
8X-RAY DIFFRACTION8chain 'C' and (resid 642 through 657 )
9X-RAY DIFFRACTION9chain 'D' and (resid 600 through 645 )
10X-RAY DIFFRACTION10chain 'D' and (resid 646 through 657 )
11X-RAY DIFFRACTION11chain 'E' and (resid 597 through 613 )
12X-RAY DIFFRACTION12chain 'E' and (resid 614 through 645 )
13X-RAY DIFFRACTION13chain 'E' and (resid 646 through 657 )
14X-RAY DIFFRACTION14chain 'F' and (resid 600 through 613 )
15X-RAY DIFFRACTION15chain 'F' and (resid 614 through 624 )
16X-RAY DIFFRACTION16chain 'F' and (resid 625 through 631 )
17X-RAY DIFFRACTION17chain 'F' and (resid 632 through 645 )
18X-RAY DIFFRACTION18chain 'F' and (resid 646 through 650 )
19X-RAY DIFFRACTION19chain 'F' and (resid 651 through 655 )
20X-RAY DIFFRACTION20chain 'G' and (resid 597 through 631 )
21X-RAY DIFFRACTION21chain 'G' and (resid 632 through 645 )
22X-RAY DIFFRACTION22chain 'G' and (resid 646 through 657 )
23X-RAY DIFFRACTION23chain 'H' and (resid 600 through 613 )
24X-RAY DIFFRACTION24chain 'H' and (resid 614 through 624 )
25X-RAY DIFFRACTION25chain 'H' and (resid 625 through 631 )
26X-RAY DIFFRACTION26chain 'H' and (resid 632 through 645 )
27X-RAY DIFFRACTION27chain 'H' and (resid 646 through 650 )
28X-RAY DIFFRACTION28chain 'H' and (resid 651 through 657 )

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