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- PDB-7b4c: Structural basis of reactivation of oncogenic p53 mutants by a sm... -

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Basic information

Entry
Database: PDB / ID: 7b4c
TitleStructural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C mutant bound to MQ: R273C-MQ (II)
ComponentsCellular tumor antigen p53P53
KeywordsTRANSCRIPTION / P53 / TUMOR SUPPRESSOR / DNA BINDING PROTEIN / PROTEIN DNA COMPLEX / MICHAEL ACCEPTOR / MICHAEL REACTION / PROTEIN-DRUG COMPLEX / PROTEIN-DNA-DRUG COMPLEX / LOOP-SHEET-HELIX MOTIF / DNA TARGET / ACTIVATOR / HOOGSTEEN BASE-PAIRING
Function / homology
Function and homology information


Loss of function of TP53 in cancer due to loss of tetramerization ability / Regulation of TP53 Expression / signal transduction by p53 class mediator / negative regulation of G1 to G0 transition / negative regulation of glucose catabolic process to lactate via pyruvate / Transcriptional activation of cell cycle inhibitor p21 / regulation of intrinsic apoptotic signaling pathway by p53 class mediator / Activation of NOXA and translocation to mitochondria / negative regulation of pentose-phosphate shunt / ATP-dependent DNA/DNA annealing activity ...Loss of function of TP53 in cancer due to loss of tetramerization ability / Regulation of TP53 Expression / signal transduction by p53 class mediator / negative regulation of G1 to G0 transition / negative regulation of glucose catabolic process to lactate via pyruvate / Transcriptional activation of cell cycle inhibitor p21 / regulation of intrinsic apoptotic signaling pathway by p53 class mediator / Activation of NOXA and translocation to mitochondria / negative regulation of pentose-phosphate shunt / ATP-dependent DNA/DNA annealing activity / negative regulation of helicase activity / regulation of cell cycle G2/M phase transition / intrinsic apoptotic signaling pathway in response to hypoxia / regulation of fibroblast apoptotic process / oxidative stress-induced premature senescence / oligodendrocyte apoptotic process / negative regulation of miRNA processing / positive regulation of thymocyte apoptotic process / glucose catabolic process to lactate via pyruvate / regulation of tissue remodeling / positive regulation of mitochondrial membrane permeability / negative regulation of mitophagy / positive regulation of programmed necrotic cell death / mRNA transcription / bone marrow development / circadian behavior / histone deacetylase regulator activity / T cell proliferation involved in immune response / regulation of mitochondrial membrane permeability involved in apoptotic process / RUNX3 regulates CDKN1A transcription / germ cell nucleus / regulation of DNA damage response, signal transduction by p53 class mediator / TP53 regulates transcription of additional cell cycle genes whose exact role in the p53 pathway remain uncertain / TP53 Regulates Transcription of Death Receptors and Ligands / Activation of PUMA and translocation to mitochondria / negative regulation of neuroblast proliferation / DNA damage response, signal transduction by p53 class mediator resulting in transcription of p21 class mediator / Formation of Senescence-Associated Heterochromatin Foci (SAHF) / negative regulation of glial cell proliferation / Regulation of TP53 Activity through Association with Co-factors / positive regulation of execution phase of apoptosis / mitochondrial DNA repair / T cell lineage commitment / negative regulation of DNA replication / ER overload response / B cell lineage commitment / thymocyte apoptotic process / positive regulation of cardiac muscle cell apoptotic process / TP53 regulates transcription of several additional cell death genes whose specific roles in p53-dependent apoptosis remain uncertain / TP53 Regulates Transcription of Caspase Activators and Caspases / entrainment of circadian clock by photoperiod / cardiac septum morphogenesis / PI5P Regulates TP53 Acetylation / Association of TriC/CCT with target proteins during biosynthesis / Zygotic genome activation (ZGA) / necroptotic process / negative regulation of telomere maintenance via telomerase / positive regulation of release of cytochrome c from mitochondria / rRNA transcription / TP53 Regulates Transcription of Genes Involved in Cytochrome C Release / TFIID-class transcription factor complex binding / mitophagy / SUMOylation of transcription factors / intrinsic apoptotic signaling pathway by p53 class mediator / neuroblast proliferation / general transcription initiation factor binding / cellular response to actinomycin D / Transcriptional Regulation by VENTX / response to X-ray / DNA damage response, signal transduction by p53 class mediator / replicative senescence / intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stress / chromosome organization / gastrulation / cellular response to UV-C / response to inorganic substance / hematopoietic stem cell differentiation / intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator / negative regulation of reactive oxygen species metabolic process / positive regulation of RNA polymerase II transcription preinitiation complex assembly / MDM2/MDM4 family protein binding / glial cell proliferation / embryonic organ development / cellular response to glucose starvation / Pyroptosis / cis-regulatory region sequence-specific DNA binding / hematopoietic progenitor cell differentiation / TP53 Regulates Transcription of Genes Involved in G1 Cell Cycle Arrest / somitogenesis / type II interferon-mediated signaling pathway / DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrest / positive regulation of intrinsic apoptotic signaling pathway / negative regulation of fibroblast proliferation / negative regulation of stem cell proliferation / core promoter sequence-specific DNA binding / cardiac muscle cell apoptotic process / response to salt stress / transcription initiation-coupled chromatin remodeling / mitotic G1 DNA damage checkpoint signaling / Regulation of TP53 Activity through Acetylation
Similarity search - Function
Cellular tumor antigen p53, transactivation domain 2 / Transactivation domain 2 / p53 transactivation domain / P53 transactivation motif / p53 family signature. / p53, tetramerisation domain / P53 tetramerisation motif / p53, DNA-binding domain / P53 DNA-binding domain / p53 tumour suppressor family ...Cellular tumor antigen p53, transactivation domain 2 / Transactivation domain 2 / p53 transactivation domain / P53 transactivation motif / p53 family signature. / p53, tetramerisation domain / P53 tetramerisation motif / p53, DNA-binding domain / P53 DNA-binding domain / p53 tumour suppressor family / p53-like tetramerisation domain superfamily / p53/RUNT-type transcription factor, DNA-binding domain superfamily / p53-like transcription factor, DNA-binding
Similarity search - Domain/homology
DI(HYDROXYETHYL)ETHER / (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one / (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one / Cellular tumor antigen p53
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.71 Å
AuthorsDegtjarik, O. / Rozenberg, H. / Shakked, Z.
Funding support1items
OrganizationGrant numberCountry
Aprea Therapeutics AB
CitationJournal: Nat Commun / Year: 2021
Title: Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Authors: Degtjarik, O. / Golovenko, D. / Diskin-Posner, Y. / Abrahmsen, L. / Rozenberg, H. / Shakked, Z.
History
DepositionDec 2, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Dec 8, 2021Provider: repository / Type: Initial release
Revision 1.1Dec 15, 2021Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.identifier_ORCID
Revision 1.2Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Cellular tumor antigen p53
B: Cellular tumor antigen p53
C: Cellular tumor antigen p53
D: Cellular tumor antigen p53
hetero molecules


Theoretical massNumber of molelcules
Total (without water)91,50321
Polymers89,8064
Non-polymers1,69717
Water9,800544
1


  • Idetical with deposited unit
  • defined by author&software
  • tetramer
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4480 Å2
ΔGint3 kcal/mol
Surface area36380 Å2
MethodPISA
Unit cell
Length a, b, c (Å)68.881, 71.083, 84.923
Angle α, β, γ (deg.)90.000, 90.033, 90.000
Int Tables number4
Space group name H-MP1211

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Components

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Protein , 1 types, 4 molecules ABCD

#1: Protein
Cellular tumor antigen p53 / P53 / Antigen NY-CO-13 / Phosphoprotein p53 / Tumor suppressor p53


Mass: 22451.531 Da / Num. of mol.: 4 / Fragment: p53 human DNA binding domain / Mutation: R273C
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TP53, P53 / Plasmid: pET-27-b / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P04637

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Non-polymers , 6 types, 561 molecules

#2: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn
#3: Chemical
ChemComp-QNN / (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one


Mass: 139.195 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C8H13NO / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C2H6O2
#5: Chemical ChemComp-QN8 / (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one


Mass: 139.195 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C8H13NO / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol


Mass: 106.120 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C4H10O3
#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 544 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY
Nonpolymer detailsTwo enantiomers, QNN and QN8 are produced by addition reaction of the michael acceptor compound "2- ...Two enantiomers, QNN and QN8 are produced by addition reaction of the michael acceptor compound "2-methylenequinuclidin-3-one" with cysteine or lysine. As such, QNN and QN8 bind covalently to the thiol group of cysteine or amino group of lysine. The chiral definitions of QNN and QN8 bound to cysteines are reversed to that of the pseudo free ligands.

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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: 2.32 Å3/Da / Density % sol: 46.87 % / Mosaicity: 0.912 °
Crystal growTemperature: 292 K / Method: evaporation / pH: 6.1 / Details: 0.2M Sodium Fluoride, 20% w/v PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 0.972 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Mar 2, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.972 Å / Relative weight: 1
Reflection twin
Crystal-IDIDOperatorDomain-IDFraction
11H, K, L10.64
11-h,-k,l20.36
ReflectionResolution: 1.709→50 Å / Num. obs: 87231 / % possible obs: 98.4 % / Redundancy: 6 % / Rmerge(I) obs: 0.082 / Rpim(I) all: 0.036 / Rrim(I) all: 0.09 / Χ2: 0.962 / Net I/σ(I): 6.1
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) allΧ2% possible all
1.71-1.745.60.62643260.8230.2870.690.76497
1.74-1.775.60.50942150.8810.2320.5610.79596.4
1.77-1.816.20.49543030.9140.2120.540.79997.8
1.81-1.846.20.43642950.9270.1860.4750.79897.9
1.84-1.886.20.37443600.9460.160.4080.83797.9
1.88-1.936.10.31643200.9630.1360.3450.8797.9
1.93-1.976.10.26143280.970.1130.2850.90597.9
1.97-2.0360.22843460.9690.10.2490.95598.2
2.03-2.095.50.1843190.9810.0820.1981.00298.4
2.09-2.155.80.15743440.9850.070.1720.99498
2.15-2.236.30.14543570.9880.0610.1571.04898.5
2.23-2.326.20.12943580.9890.0550.141.05198.7
2.32-2.436.20.11243740.9920.0480.1221.05298.8
2.43-2.556.10.09943790.9930.0430.1081.0498.8
2.55-2.715.60.08843410.9920.040.0971.09998.5
2.71-2.926.30.07944050.9940.0340.0861.08599.3
2.92-3.226.30.0744310.9950.030.0761.04199.5
3.22-3.686.10.06344570.9950.0280.0691.04299.6
3.68-4.645.90.05544310.9960.0240.061.00199.1
4.64-5060.05345420.9970.0230.0581.01699.4

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassificationNB
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
REFMAC5.8.0266refinement
PDB_EXTRACT3.25data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4IBQ

4ibq


Resolution: 1.71→42.75 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.955 / SU B: 2.957 / SU ML: 0.057 / SU R Cruickshank DPI: 0.0197 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.02 / ESU R Free: 0.02 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED
RfactorNum. reflection% reflectionSelection details
Rfree0.1819 4332 5 %RANDOM
Rwork0.1488 ---
obs0.1505 82878 98.25 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso max: 82.72 Å2 / Biso mean: 30.458 Å2 / Biso min: 13.55 Å2
Baniso -1Baniso -2Baniso -3
1--14.78 Å2-0 Å2-9.96 Å2
2--25.33 Å20 Å2
3----10.55 Å2
Refinement stepCycle: final / Resolution: 1.71→42.75 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5917 0 104 548 6569
Biso mean--41.24 35.14 -
Num. residues----765
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0150.0136641
X-RAY DIFFRACTIONr_bond_other_d0.0030.0176020
X-RAY DIFFRACTIONr_angle_refined_deg1.9341.6739090
X-RAY DIFFRACTIONr_angle_other_deg1.5821.59413936
X-RAY DIFFRACTIONr_dihedral_angle_1_deg7.2085873
X-RAY DIFFRACTIONr_dihedral_angle_2_deg31.78520.313351
X-RAY DIFFRACTIONr_dihedral_angle_3_deg14.267151043
X-RAY DIFFRACTIONr_dihedral_angle_4_deg15.9961565
X-RAY DIFFRACTIONr_chiral_restr0.1010.2871
X-RAY DIFFRACTIONr_gen_planes_refined0.0110.027843
X-RAY DIFFRACTIONr_gen_planes_other0.0030.021569
LS refinement shellResolution: 1.71→1.754 Å / Rfactor Rfree error: 0
RfactorNum. reflection% reflection
Rfree0.222 296 -
Rwork0.177 5912 -
obs--95.17 %
Refinement TLS params.

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

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
14.324-2.9076-1.86811.90727.14289.6506-0.1619-0.1554-0.24140.19370.1319-0.12050.7220.01170.030.18010.00270.10040.15750.03850.09414.6305-7.605823.1646
23.8254-0.34351.10.66780.01631.3816-0.01390.09590.1316-0.05710.0411-0.01630.0124-0.0144-0.02710.11530.01360.08870.0914-0.00460.1487-3.4410.50258.729
32.8544-0.04220.31675.21593.13164.9780.0338-0.2354-0.20080.2978-0.13740.12510.3277-0.11250.10360.10980.01170.09460.16070.03790.11388.948-6.72615.0739
43.7904-2.08181.08798.6412-4.667211.51720.15590.2887-0.2638-0.109-0.1302-0.2750.0760.3742-0.02570.12520.04610.09630.2078-0.08950.191514.0134-11.96671.5717
52.7097.15324.725920.756215.549613.4785-0.53390.3369-0.0657-1.50440.5772-0.2766-1.1230.2815-0.04330.309-0.10960.0410.58760.14860.397918.55082.0321-1.1999
63.55670.2128-0.6113.48591.70793.7106-0.02860.03160.054-0.07910.063-0.2068-0.04110.3473-0.03440.0746-0.00740.08540.1547-0.00080.125616.3508-1.322810.2299
73.4676-1.1787-2.10234.92984.00986.46060.02090.05260.4381-0.1609-0.13570.1921-0.2917-0.14130.11490.0890.01150.05850.09270.01090.17533.91034.754610.0283
82.137-0.6673-1.04486.27736.97810.3480.06480.3229-0.3201-0.2053-0.0254-0.0198-0.0260.1121-0.03940.10940.03320.06650.1132-0.00740.15276.8236-10.07167.4012
93.6166-0.41181.46430.83830.17733.41720.13220.1852-0.2032-0.0269-0.04330.07110.22470.098-0.08890.13950.0030.10850.0772-0.01710.12881.4631-5.06989.8975
1013.42062.2188-8.749517.933215.459352.6779-0.02050.0652-1.31810.2247-0.13720.14272.0867-1.47360.15770.1852-0.0612-0.02160.2056-0.06910.5528-12.29-11.89790.8975
1119.6772-12.6751-16.39189.30811.091313.9067-0.8397-0.004-1.06370.8740.2906-0.01640.88470.11810.54910.54780.0245-0.01370.2135-0.0050.81532.8897-15.163656.3265
127.6877-1.72122.48741.4301-1.88052.6556-0.0664-0.5565-0.47360.09040.07440.0894-0.0309-0.115-0.00790.15670.0060.11430.10640.01660.1924-6.5591-1.385558.1188
135.1989-0.0486-0.37570.566-0.05761.5234-0.0440.1134-0.32990.0231-0.0140.0676-0.0196-0.20550.0580.11780.00820.11250.1088-0.00080.1318-1.315-1.959251.7179
144.3487-0.0732-1.27778.4307-6.618610.4880.11620.383-0.48620.0321-0.5587-0.3959-0.18070.75770.44250.10620.01090.05620.2112-0.05220.145312.6242-4.933439.1516
1511.53696.12621.558823.920511.706620.5645-0.11330.25110.89-0.50680.1811-0.3137-1.27980.1123-0.06770.11920.00660.04090.2088-0.0030.188616.14014.661844.5962
166.3951-0.57840.00853.64921.85144.6154-0.0374-0.1601-0.21170.09590.0155-0.0612-0.11130.17050.02190.1001-0.0080.08660.14130.02320.114412.9108-0.897953.124
1728.0476-13.2598-0.372519.01862.88814.03270.3459-0.64151.6981-0.0383-0.37710.1359-0.8653-0.25350.03120.32390.02880.13310.3152-0.11870.2368-0.17429.253865.9366
183.67160.242-0.83121.77050.92295.5945-0.06070.1696-0.0745-0.1326-0.08120.0808-0.1295-0.14120.14180.10560.01960.07950.08560.00310.12852.68441.057146.3938
193.67850.3516-1.35540.4661-0.3194.7019-0.0295-0.1455-0.7677-0.05-0.09840.01220.4145-0.22440.12790.1672-0.00570.10730.1270.03940.29752.7229-7.270352.6132
208.11493.2116-0.46654.16370.19566.2692-0.08880.81-0.6767-0.362-0.0384-0.00890.50480.31310.12720.17660.02320.0710.4496-0.08270.1765-12.5508-2.313738.9121
214.67391.2053-0.97521.4373-1.05411.4698-0.05920.34240.5774-0.0628-0.01380.0643-0.04920.18590.0730.14770.00110.02450.20660.06310.1985-38.27198.126946.4121
227.502-0.77771.55094.5579-2.13493.8742-0.0096-0.4030.0725-0.03360.08820.08230.1087-0.0145-0.07860.0909-0.00380.07740.236-0.00990.1058-42.7673.017757.5243
234.84370.63070.58980.54040.12763.9093-0.14070.19310.5243-0.08540.02670.0721-0.116-0.09340.1140.08480.02950.06640.18080.04710.1593-31.44366.94850.7081
244.4555-1.9667-2.9781.49070.74927.202-0.2784-0.283-0.13590.0380.0437-0.32130.57010.58730.23470.16150.0060.10370.29710.01140.2925-19.9791-0.517463.1769
257.91430.3899-0.56483.06520.14724.6985-0.07160.2443-0.17430.0415-0.0245-0.11630.31010.0530.09610.09890.03510.09410.22490.02480.11-21.62240.466752.4034
265.5357-0.04331.55432.06752.07026.76760.05920.49640.2124-0.0212-0.0886-0.09810.2572-0.1360.02930.12330.02080.10420.31570.09610.1175-25.4553.753945.1134
276.42740.99521.70951.00350.98917.2119-0.0682-0.1856-0.1306-0.0530.0426-0.04710.0216-0.03120.02550.10870.00810.1010.17410.04190.1009-31.94081.146156.6763
284.1103-0.3736-0.2751.5590.78564.4359-0.05290.12390.75680.00460.09730.0405-0.2160.1339-0.04440.097-0.01080.04810.16050.04850.2194-30.647710.807950.4924
298.8448-0.01321.14751.8583-0.84451.3805-0.0295-1.11870.37220.25420.00450.02970.08670.02130.0250.13660.02370.06290.3482-0.06050.0917-42.17963.867263.6085
3013.93470.7451.745811.1761-7.64629.28970.1115-1.21231.36370.91840.25430.6563-1.4867-1.4688-0.36580.20370.04950.09770.3131-0.10710.2389-50.00249.803964.4763
311.3612-0.44582.60676.35013.77098.9865-0.3161-0.04390.1617-0.3190.3059-0.4715-0.9904-0.38980.01020.18490.09340.06430.5321-0.00330.1242-28.816910.9693-4.308
326.07570.95930.11460.54310.19740.312-0.00170.0766-0.32930.0632-0.02350.0248-0.0050.06450.02520.119-0.01620.10440.2345-0.03310.1797-37.67071.572211.8106
3317.6874.21845.48514.4613.01473.67790.41640.8952-1.4218-0.32-0.32720.25080.172-0.4355-0.08920.22090.0086-0.06440.4567-0.15040.2784-31.144-4.8082-7.288
343.00490.0131-0.12412.99271.12891.46130.0709-0.02680.44520.1124-0.00950.1038-0.18120.0835-0.06140.1194-0.01110.1090.24210.0190.1677-23.376912.560411.3963
351.3112-2.7528-0.425412.441712.653421.0795-0.4236-0.11710.031.66740.4817-0.18261.59620.7675-0.05810.33190.1390.12480.6080.12910.4294-15.55550.44220.3029
364.3940.0488-1.46364.77320.43053.38790.06130.0366-0.12460.0996-0.1336-0.10410.0684-0.08720.07230.0642-0.00220.0650.17760.0210.094-17.77232.93498.6146
3710.19656.06521.96648.35095.95055.26120.2375-0.5276-0.76520.6033-0.71740.3130.5668-0.50630.47990.2894-0.1270.0160.4943-0.07840.5163-32.5938-10.8637-1.2612
384.23910.0087-0.82852.41550.8222.96560.0972-0.05130.13050.1795-0.14650.1381-0.1674-0.06680.04930.0963-0.01050.08280.19380.00130.0947-27.68527.34212.6787
394.8965-0.4448-3.89441.06810.66325.43750.14010.09260.14280.0458-0.12410.1334-0.1508-0.1648-0.0160.0701-0.01890.05860.2198-0.02140.0892-32.16756.41418.9857
405.1767-2.99384.41317.1703-3.88237.605-0.2454-0.40690.9860.49830.1933-0.184-0.6758-0.36130.05220.1589-0.00040.19090.2127-0.09570.5798-46.814211.353517.4575
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A96 - 109
2X-RAY DIFFRACTION2A110 - 149
3X-RAY DIFFRACTION3A150 - 168
4X-RAY DIFFRACTION4A169 - 179
5X-RAY DIFFRACTION5A180 - 188
6X-RAY DIFFRACTION6A189 - 220
7X-RAY DIFFRACTION7A221 - 241
8X-RAY DIFFRACTION8A242 - 258
9X-RAY DIFFRACTION9A259 - 283
10X-RAY DIFFRACTION10A284 - 288
11X-RAY DIFFRACTION11B97 - 102
12X-RAY DIFFRACTION12B103 - 120
13X-RAY DIFFRACTION13B121 - 168
14X-RAY DIFFRACTION14B169 - 182
15X-RAY DIFFRACTION15B183 - 192
16X-RAY DIFFRACTION16B193 - 219
17X-RAY DIFFRACTION17B220 - 227
18X-RAY DIFFRACTION18B228 - 245
19X-RAY DIFFRACTION19B246 - 275
20X-RAY DIFFRACTION20B276 - 288
21X-RAY DIFFRACTION21C96 - 120
22X-RAY DIFFRACTION22C121 - 135
23X-RAY DIFFRACTION23C136 - 173
24X-RAY DIFFRACTION24C174 - 188
25X-RAY DIFFRACTION25C189 - 208
26X-RAY DIFFRACTION26C209 - 227
27X-RAY DIFFRACTION27C228 - 244
28X-RAY DIFFRACTION28C245 - 270
29X-RAY DIFFRACTION29C271 - 283
30X-RAY DIFFRACTION30C284 - 288
31X-RAY DIFFRACTION31D95 - 108
32X-RAY DIFFRACTION32D109 - 145
33X-RAY DIFFRACTION33D146 - 154
34X-RAY DIFFRACTION34D155 - 179
35X-RAY DIFFRACTION35D180 - 188
36X-RAY DIFFRACTION36D189 - 219
37X-RAY DIFFRACTION37D220 - 229
38X-RAY DIFFRACTION38D230 - 258
39X-RAY DIFFRACTION39D259 - 281
40X-RAY DIFFRACTION40D282 - 289

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