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- PDB-4urj: Crystal structure of human BJ-TSA-9 -

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Basic information

Entry
Database: PDB / ID: 4urj
TitleCrystal structure of human BJ-TSA-9
ComponentsPROTEIN FAM83A
KeywordsUNKNOWN FUNCTION
Function / homology
Function and homology information


phosphatidylinositol 3-kinase regulatory subunit binding / epidermal growth factor receptor signaling pathway / cell population proliferation / protein kinase binding / signal transduction / identical protein binding / cytoplasm
Similarity search - Function
FAM83, N-terminal / FAM83 A-H / Endonuclease Chain A / Endonuclease; Chain A / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Biological speciesHOMO SAPIENS (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.68 Å
AuthorsPinkas, D.M. / Sanvitale, C. / Wang, D. / Krojer, T. / Kopec, J. / Chaikuad, A. / Dixon Clarke, S. / Berridge, G. / Burgess-Brown, N. / von Delft, F. ...Pinkas, D.M. / Sanvitale, C. / Wang, D. / Krojer, T. / Kopec, J. / Chaikuad, A. / Dixon Clarke, S. / Berridge, G. / Burgess-Brown, N. / von Delft, F. / Arrowsmith, C. / Edwards, A. / Bountra, C. / Bullock, A.
CitationJournal: To be Published
Title: Crystal Structure of Human Bj-Tsa-9
Authors: Pinkas, D.M. / Sanvitale, C. / Wang, D. / Krojer, T. / Kopec, J. / Chaikuad, A. / Dixon Clarke, S. / Berridge, G. / Burgess-Brown, N. / von Delft, F. / Arrowsmith, C. / Edwards, A. / Bountra, C. / Bullock, A.
History
DepositionJun 30, 2014Deposition site: PDBE / Processing site: PDBE
Revision 1.0Oct 1, 2014Provider: repository / Type: Initial release
Revision 1.1Jan 24, 2018Group: Database references / Category: citation_author / Item: _citation_author.name
Revision 1.2Mar 4, 2020Group: Derived calculations / Other
Category: pdbx_database_status / pdbx_struct_assembly ...pdbx_database_status / pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / pdbx_struct_oper_list
Item: _pdbx_database_status.status_code_sf
Revision 1.3May 8, 2024Group: Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: PROTEIN FAM83A
B: PROTEIN FAM83A
C: PROTEIN FAM83A
D: PROTEIN FAM83A
hetero molecules


Theoretical massNumber of molelcules
Total (without water)85,10911
Polymers84,6744
Non-polymers4347
Water1,856103
1
A: PROTEIN FAM83A
hetero molecules

B: PROTEIN FAM83A
hetero molecules


Theoretical massNumber of molelcules
Total (without water)42,4614
Polymers42,3372
Non-polymers1242
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation1_565x,y+1,z1
Buried area3050 Å2
ΔGint-10 kcal/mol
Surface area15620 Å2
MethodPISA
2
C: PROTEIN FAM83A
D: PROTEIN FAM83A
hetero molecules


Theoretical massNumber of molelcules
Total (without water)42,6477
Polymers42,3372
Non-polymers3105
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3450 Å2
ΔGint-7 kcal/mol
Surface area16300 Å2
MethodPISA
Unit cell
Length a, b, c (Å)78.120, 50.730, 120.290
Angle α, β, γ (deg.)90.00, 105.27, 90.00
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein
PROTEIN FAM83A / BJ-TSA-9 / TUMOR ANTIGEN BJ-TSA-9 / TUMOR-SPECIFIC GENE EXPRESSED IN PROSTATE PROTEIN


Mass: 21168.578 Da / Num. of mol.: 4 / Fragment: DUF1669, UNP RESIDUES 122-304
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) HOMO SAPIENS (human) / Plasmid: PNIC28-BSA / Production host: ESCHERICHIA COLI BL21(DE3) (bacteria) / Variant (production host): ROSETTA / References: UniProt: Q86UY5
#2: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C2H6O2
#3: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 103 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.7 Å3/Da / Density % sol: 54 % / Description: NONE
Crystal growDetails: 0.8M SODIUM PHOSPHATE MONOBASIC, 0.8M SODIUM PHOSPHATE DIBASIC, 0.1M HEPES PH 7.5

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.97625
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 23, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97625 Å / Relative weight: 1
ReflectionResolution: 2.68→42.08 Å / Num. obs: 25987 / % possible obs: 99.9 % / Observed criterion σ(I): -3 / Redundancy: 5.4 % / Biso Wilson estimate: 31.31 Å2 / Rmerge(I) obs: 0.2 / Net I/σ(I): 3.4
Reflection shellResolution: 2.68→2.81 Å / Redundancy: 5.4 % / Rmerge(I) obs: 0.6 / Mean I/σ(I) obs: 1.9 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX(PHENIX.REFINE)refinement
MOSFLMdata reduction
Aimlessdata scaling
RosettaMRphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.68→42.084 Å / SU ML: 0.39 / σ(F): 1.97 / Phase error: 33.14 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2656 1992 7.7 %
Rwork0.2323 --
obs0.2349 25835 99.39 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 34.44 Å2
Refinement stepCycle: LAST / Resolution: 2.68→42.084 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5421 0 28 103 5552
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0055543
X-RAY DIFFRACTIONf_angle_d0.7447457
X-RAY DIFFRACTIONf_dihedral_angle_d10.721994
X-RAY DIFFRACTIONf_chiral_restr0.028849
X-RAY DIFFRACTIONf_plane_restr0.003937
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.6801-2.74710.38031380.33111649X-RAY DIFFRACTION99
2.7471-2.82130.38861430.31511723X-RAY DIFFRACTION99
2.8213-2.90430.34241420.29361675X-RAY DIFFRACTION99
2.9043-2.99810.33021420.27981708X-RAY DIFFRACTION99
2.9981-3.10520.31331400.2691683X-RAY DIFFRACTION100
3.1052-3.22950.31291410.26141685X-RAY DIFFRACTION99
3.2295-3.37640.29161410.25781684X-RAY DIFFRACTION100
3.3764-3.55430.2871430.22691704X-RAY DIFFRACTION100
3.5543-3.77690.21571410.21831686X-RAY DIFFRACTION100
3.7769-4.06830.23191420.21061704X-RAY DIFFRACTION100
4.0683-4.47720.21851440.19081720X-RAY DIFFRACTION100
4.4772-5.12410.19461430.17081717X-RAY DIFFRACTION99
5.1241-6.45210.24321450.20911734X-RAY DIFFRACTION100
6.4521-42.08870.25161470.22321771X-RAY DIFFRACTION98

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