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- PDB-7rcu: Synthetic Max homodimer mimic in complex with DNA -

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Basic information

Entry
Database: PDB / ID: 7rcu
TitleSynthetic Max homodimer mimic in complex with DNA
Components
  • (Protein max) x 2
  • DNA (5'-D(*A*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
  • DNA (5'-D(*G*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
KeywordsTRANSCRIPTION / synthetic protein / complex / transcription factor mimic / DNA BINDING PROTEIN
Function / homology
Function and homology information


MLL1 complex / RNA polymerase II transcription regulator complex / sequence-specific double-stranded DNA binding / protein heterodimerization activity / regulation of transcription by RNA polymerase II
Similarity search - Function
Protein max-like / Helix-loop-helix DNA-binding domain / Helix-loop-helix DNA-binding domain superfamily / helix loop helix domain / Myc-type, basic helix-loop-helix (bHLH) domain / Myc-type, basic helix-loop-helix (bHLH) domain profile.
Similarity search - Domain/homology
ACETAMIDE / 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE / 2-(2,5-dioxopyrrolidin-1-yl)acetamide / DNA / DNA (> 10) / Protein max
Similarity search - Component
Biological speciesHomo sapiens (human)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.69 Å
AuthorsSpeltz, T. / Qiao, Z. / Shangguan, S. / Fanning, S. / Greene, J. / Moellering, R.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Cancer Institute (NIH/NCI) United States
CitationJournal: Nat.Biotechnol. / Year: 2023
Title: Targeting MYC with modular synthetic transcriptional repressors derived from bHLH DNA-binding domains.
Authors: Speltz, T.E. / Qiao, Z. / Swenson, C.S. / Shangguan, X. / Coukos, J.S. / Lee, C.W. / Thomas, D.M. / Santana, J. / Fanning, S.W. / Greene, G.L. / Moellering, R.E.
History
DepositionJul 8, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 14, 2022Provider: repository / Type: Initial release
Revision 1.1Mar 29, 2023Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2May 3, 2023Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.year / _citation_author.identifier_ORCID
Revision 1.3Oct 25, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.4Mar 13, 2024Group: Source and taxonomy / Category: pdbx_entity_src_syn
Revision 2.0Apr 17, 2024Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Database references / Derived calculations / Non-polymer description / Polymer sequence / Source and taxonomy / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / chem_comp / chem_comp_atom / chem_comp_bond / entity / entity_poly / entity_poly_seq / pdbx_entity_nonpoly / pdbx_entity_src_syn / pdbx_nonpoly_scheme / pdbx_poly_seq_scheme / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / pdbx_unobs_or_zero_occ_atoms / pdbx_unobs_or_zero_occ_residues / pdbx_validate_close_contact / pdbx_validate_rmsd_angle / struct_asym / struct_conf / struct_conn / struct_ref_seq / struct_ref_seq_dif
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 / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.group_PDB / _atom_site.label_alt_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.label_seq_id / _atom_site.occupancy / _atom_site.type_symbol / _atom_site_anisotrop.id / _atom_site_anisotrop.pdbx_label_asym_id / _atom_site_anisotrop.pdbx_label_seq_id / _chem_comp.formula / _chem_comp.formula_weight / _chem_comp.id / _chem_comp.mon_nstd_flag / _chem_comp.name / _chem_comp.type / _entity.formula_weight / _entity.pdbx_description / _entity.pdbx_number_of_molecules / _entity_poly.nstd_monomer / _entity_poly.pdbx_seq_one_letter_code / _entity_poly.pdbx_seq_one_letter_code_can / _pdbx_entity_nonpoly.comp_id / _pdbx_entity_nonpoly.name / _pdbx_entity_src_syn.pdbx_end_seq_num / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_assembly_prop.value / _pdbx_unobs_or_zero_occ_atoms.label_asym_id / _pdbx_unobs_or_zero_occ_atoms.label_seq_id / _pdbx_validate_close_contact.auth_seq_id_2 / _struct_conf.beg_auth_comp_id / _struct_conf.beg_auth_seq_id / _struct_conf.beg_label_comp_id / _struct_conf.beg_label_seq_id / _struct_conf.end_label_seq_id / _struct_conf.pdbx_PDB_helix_length / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_ref_seq.seq_align_beg / _struct_ref_seq.seq_align_end

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Protein max
S: Protein max
B: Protein max
Q: Protein max
C: DNA (5'-D(*A*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
D: DNA (5'-D(*G*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
E: Protein max
V: Protein max
F: Protein max
R: Protein max
G: DNA (5'-D(*A*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
H: DNA (5'-D(*A*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
I: Protein max
W: Protein max
J: Protein max
T: Protein max
K: DNA (5'-D(*A*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
L: DNA (5'-D(*A*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
M: Protein max
X: Protein max
N: Protein max
U: Protein max
O: DNA (5'-D(*A*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
P: DNA (5'-D(*A*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)90,42532
Polymers89,09724
Non-polymers1,3278
Water86548
1
A: Protein max
S: Protein max
B: Protein max
Q: Protein max
C: DNA (5'-D(*A*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
D: DNA (5'-D(*G*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)22,6839
Polymers22,0396
Non-polymers6443
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7750 Å2
ΔGint-69 kcal/mol
Surface area10120 Å2
MethodPISA
2
E: Protein max
V: Protein max
F: Protein max
R: Protein max
G: DNA (5'-D(*A*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
H: DNA (5'-D(*A*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)22,7249
Polymers22,3536
Non-polymers3713
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7830 Å2
ΔGint-68 kcal/mol
Surface area10450 Å2
MethodPISA
3
I: Protein max
W: Protein max
J: Protein max
T: Protein max
K: DNA (5'-D(*A*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
L: DNA (5'-D(*A*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)22,5097
Polymers22,3536
Non-polymers1561
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7480 Å2
ΔGint-65 kcal/mol
Surface area10390 Å2
MethodPISA
4
M: Protein max
X: Protein max
N: Protein max
U: Protein max
O: DNA (5'-D(*A*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
P: DNA (5'-D(*A*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)22,5097
Polymers22,3536
Non-polymers1561
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7420 Å2
ΔGint-66 kcal/mol
Surface area10520 Å2
MethodPISA
Unit cell
Length a, b, c (Å)25.666, 46.266, 166.017
Angle α, β, γ (deg.)90.050, 90.050, 90.020
Int Tables number1
Space group name H-MP1

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Components

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Protein/peptide , 2 types, 16 molecules ABEFIJMNSQVRWTXU

#1: Protein/peptide
Protein max / Myc-associated factor X


Mass: 3460.975 Da / Num. of mol.: 8 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: Q6V3B1
#2: Protein/peptide
Protein max / Myc-associated factor X


Mass: 2503.965 Da / Num. of mol.: 8 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: Q6V3B1

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DNA chain , 2 types, 8 molecules CGHKLOPD

#3: DNA chain
DNA (5'-D(*A*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')


Mass: 5211.398 Da / Num. of mol.: 7 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#4: DNA chain DNA (5'-D(*G*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*A)-3')


Mass: 4898.191 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Non-polymers , 4 types, 56 molecules

#5: Chemical
ChemComp-V7J / 2-(2,5-dioxopyrrolidin-1-yl)acetamide


Mass: 156.139 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C6H8N2O3 / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical ChemComp-DA / 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE / Deoxyadenosine monophosphate


Type: DNA linking / Mass: 331.222 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C10H14N5O6P / Comment: dAMP*YM
#7: Chemical ChemComp-ACM / ACETAMIDE / Acetamide


Mass: 59.067 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C2H5NO
#8: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 48 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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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: 2.26 Å3/Da / Density % sol: 45.58 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7
Details: 50 mM Tris pH 7.0, 30% 2-Methyl-2,4-pentanediol, 50 mM NaCl and 10 mM MgCl2

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 19-BM / Wavelength: 0.97 Å
DetectorType: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Oct 20, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97 Å / Relative weight: 1
ReflectionResolution: 2.69→50 Å / Num. obs: 18936 / % possible obs: 89.4 % / Redundancy: 1.8 % / Rmerge(I) obs: 0.03 / Rpim(I) all: 0.03 / Rrim(I) all: 0.042 / Χ2: 0.875 / Net I/σ(I): 13.3
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) allΧ2% possible all
2.7-2.751.80.5149060.6020.5140.7270.75681
2.75-2.81.80.3668810.7280.3660.5170.74784.8
2.8-2.851.80.3149460.7480.3140.4440.76886.9
2.85-2.911.80.2758850.8410.2750.390.78181.9
2.91-2.971.80.238210.8670.230.3250.77385.7
2.97-3.041.80.1618960.9290.1610.2280.75284
3.04-3.121.80.1089240.9790.1080.1530.85881.6
3.12-3.21.80.0788980.9890.0780.1110.91187.6
3.2-3.31.80.0429140.9970.0420.0590.95483.8
3.3-3.41.80.0438930.9970.0430.0611.04891.9
3.4-3.521.80.0349420.9990.0340.0471.0684.7
3.52-3.661.80.0439810.9950.0430.0611.50790.3
3.66-3.831.80.0459500.9940.0450.0631.40593
3.83-4.031.80.02610170.9990.0260.0370.84696.7
4.03-4.291.90.02410560.9950.0240.0340.83395.4
4.29-4.621.90.0229920.9970.0220.0310.73498.6
4.62-5.081.90.0210380.9970.020.0280.69897.7
5.08-5.8120.01910370.9970.0190.0260.63498.4
5.81-7.3220.01810160.9980.0180.0260.69498.3
7.32-501.90.0189430.9970.0180.0260.8987.6

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Processing

Software
NameVersionClassification
PHENIX1.18.2_3874refinement
HKL-2000data scaling
PDB_EXTRACT3.27data extraction
HKL-3000data reduction
HKL-3000phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1hlo

1hlo


Resolution: 2.69→46.27 Å / SU ML: 0.33 / Cross valid method: THROUGHOUT / σ(F): 1.97 / Phase error: 30.09 / Stereochemistry target values: MLHL
RfactorNum. reflection% reflection
Rfree0.2757 1832 9.98 %
Rwork0.2353 16518 -
obs0.2395 18350 86.36 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 145.26 Å2 / Biso mean: 54.2789 Å2 / Biso min: 15.67 Å2
Refinement stepCycle: final / Resolution: 2.69→46.27 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3033 2678 74 48 5833
Biso mean--64.31 39.15 -
Num. residues----500
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 13

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.69-2.760.34731090.3098904101360
2.76-2.840.35261020.30371106120873
2.84-2.940.40111430.2991169131282
2.94-3.040.29491320.29931238137085
3.04-3.160.25961410.26911242138383
3.16-3.310.29121260.23331298142485
3.31-3.480.29211350.23111252138788
3.48-3.70.27841400.23741346148689
3.7-3.980.3461510.24091335148695
3.98-4.380.25721680.20331441160996
4.39-5.020.2721590.22511436159598
5.02-6.320.27471550.22871437159298
6.32-46.270.20931710.20951314148591
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)
11.7171-0.9337-0.39272.49550.08512.4026-0.3407-0.4272-0.38670.45680.2022-0.1882-0.14490.40410.10930.2146-0.03470.05620.67460.19350.50548.64227.64365.5643
25.6081-0.4715-2.72532.8213-0.08715.268-0.17960.4104-0.692-0.301-0.0687-0.18830.19330.29030.15040.2329-0.09290.27630.4779-0.13230.33182.9497-1.9103-9.3019
32.5093-0.0259-0.50065.97482.43133.9259-0.12560.6943-0.2262-0.96520.04540.0946-0.2069-0.18650.16350.3258-0.08510.08740.301-0.03610.2867-0.31037.4017-13.3105
42.4754-0.9564-1.10113.21353.03634.6322-0.09190.28990.27470.2053-0.13110.4161-0.382-0.5610.25070.52780.1270.11550.38740.15630.5866-6.179619.74920.777
51.34830.66720.0492.09990.76320.8939-0.00320.3459-0.04040.1753-0.06060.2560.2118-0.41490.33850.0626-0.07170.38880.3616-0.00530.5236-6.61482.7652-5.9542
62-6.838222223.2708-4.16932.6489-1.1302-3.973112.0752-1.673-6.87340.69450.73570.11870.11271.0305-0.05920.6642-2.444-5.5999-24.01
75.6533-0.53141.65892.16480.82494.61220.127-0.05880.64590.17220.38940.6357-0.8751-0.2743-0.47870.6388-0.05680.12860.41630.23250.48252.651922.9523.1994
86.29144.428-2.58315.8008-4.04477.3369-0.2628-0.0666-0.4503-0.0361-0.2355-0.13830.3190.37150.34491.17550.06140.46290.70010.2380.683-5.30735.318717.887
90.59861.138-0.17994.752-0.04211.517-0.01960.0045-0.19380.0212-0.11760.20040.41560.10740.10962.42710.46850.41291.0501-0.03391.975-3.0287-8.018814.9303
101.53920.03331.15490.0028-0.01782.6710.5153-0.3285-0.42870.9911-0.2058-0.18420.552-0.0565-0.02061.10360.11010.18990.3350.99970.60061.94640.533317.1162
115.49112.42350.8733.55694.89158.3137-0.0771-0.18750.43670.39980.12910.38-0.731-0.06470.02380.62880.1070.15660.26210.04920.2909-3.085516.446610.0113
125.8071-0.72921.88174.9208-2.1015.87130.30991.24310.8103-0.02230.27590.6125-1.00130.4504-0.47130.9897-0.14720.17090.90250.25230.68095.583828.7988-2.7686
133.8457-1.0783-0.00357.6479-3.5668.0762-0.09370.1809-0.05360.5719-0.1583-0.8530.56940.41980.36980.3681-0.0109-0.09140.32-0.11130.4503-4.0096-2.1932-83.6067
141.9444-0.23490.38568.1718-4.22047.5004-0.08460.37030.5326-0.7785-0.13360.0126-0.14960.44530.17060.2854-0.1084-0.08360.38810.07360.4332-8.918.1135-97.4417
152.02260.1903-0.41065.1844-4.62134.6441-0.31970.11770.46310.130.0272-0.0723-0.8014-0.67050.38480.4055-0.028-0.26580.3586-0.04760.4298-13.840613.5205-88.3551
161.4632-0.85110.162.37271.21086.4194-0.37320.22730.4057-0.01990.16340.58760.4651-0.59890.2620.2828-0.2138-0.09710.4643-0.04460.3994-19.24325.1254-79.9126
178.30852-8.938229.6152-1.85-1.62556.20060.34761.01655.26430.5442-2.21660.82660.73590.22520.01620.6310.22420.3964-14.152122.7315-103.2438
181.8606-0.5316-1.15921.54250.68771.68440.164-0.390.28530.7548-0.17970.158-0.3513-0.16010.07341.0560.083-0.09880.628-0.61220.673-13.461511.5434-64.7374
192.6909-1.3337-0.11092.4413-3.74368.1035-0.1141-0.0365-0.2387-0.19150.15910.1111.1827-0.17980.0130.66760.0964-0.22650.285-0.18910.402-7.4077-3.9619-73.0181
203.2566-0.2965-2.29773.61261.43163.9970.10880.9748-0.6066-0.5568-0.0903-0.343-0.051-0.96740.00961.6202-0.2552-0.32121.0572-0.30630.7937-16.6946-16.2586-85.6766
212.9315-0.2836-0.46791.57171.17463.18730.2021-0.0604-0.58290.61620.2996-0.4071.02490.135-0.22260.9668-0.1718-0.26630.4871-0.21080.4089-13.2485-10.6853-79.8474
223.97462.2877-0.19965.30151.73956.83550.5247-0.43840.26930.3651-0.2445-0.1931-0.2207-0.1542-0.31741.19120.1451-0.23860.6368-0.24870.6228-7.113511.0126-64.6037
230.61491.00010.77082.77240.67856.2264-0.5275-0.11820.4098-0.20310.1864-0.23040.16670.83390.22360.23730.0761-0.07320.5820.09670.40938.839128.0645-123.2255
243.67181.99181.67212.6971.024.6822-0.0412-0.98660.38830.4779-0.0236-0.15-0.4258-0.05250.16520.43730.1674-0.18390.6022-0.06110.3553.481338.088-107.7225
253.1945-0.2489-0.45727.96592.71364.5077-0.181-0.56220.36081.10240.2950.09040.49230.2686-0.12760.2690.0474-0.07550.3629-0.05170.3266-0.968328.489-104.6415
262.5465-0.01450.19582.81953.01845.1013-0.083-0.2005-0.2678-0.3582-0.2890.75430.4471-0.29560.3030.318-0.0062-0.1420.39310.06110.489-6.218421.5922-117.2702
272.5948-1.12080.26531.5671-0.25873.314-0.0850.2018-0.1556-0.90980.09310.58950.87020.0823-0.17950.86360.1087-0.20780.32940.17730.30180.126318.4095-126.2028
284.1703-0.2476-2.57223.7157-0.76975.47080.48430.68160.4116-1.1994-0.4792-0.2425-0.76890.28130.34710.9801-0.0627-0.24360.82920.55620.63792.2735.0765-135.9349
292.0558-1.13661.51414.0517-3.58773.77490.3323-0.3632-0.4521-0.247-0.0580.26681.18350.8288-0.30560.85820.1156-0.19190.52390.10950.45662.095812.0306-120.5267
300.29490.697-1.03922.3884-0.95976.6725-0.52890.1061-0.4522-0.28970.31160.3173-0.0908-0.87310.24480.24690.02680.05250.6299-0.08950.4328-19.308330.6679-39.677
316.11171.6166-3.25957.2026-3.77588.1672-0.7785-0.1363-0.77010.53550.2588-0.02280.9423-1.10270.4340.330.01450.11810.42710.05170.4237-14.058120.8898-24.8821
323.2070.423-0.73925.4512-4.56643.9251-0.2417-0.5116-0.52940.88180.08220.0191-0.79030.01350.06620.39550.05970.05010.4126-0.04530.245-9.093129.5937-20.8799
332.45850.94550.24027.8671-2.68616.5243-0.2848-0.32610.1649-0.4499-0.2073-0.3387-0.65960.24250.32890.2303-0.02780.08830.3887-0.06240.4199-4.144537.4706-34.4089
345.18650.72221.62272.96761.75163.96840.11760.08590.6355-0.48580.294-0.3546-1.21820.3961-0.37050.91650.13930.12010.4113-0.13870.3941-13.235646.392-38.2552
353.0776-0.5840.9064.49873.99814.22350.30330.2408-0.2894-0.223-0.1852-0.17030.37080.0448-0.09611.1731-0.14910.25310.5121-0.41620.6402-6.420924.2469-53.1012
362.198-0.5849-1.41784.78860.97423.7041-0.06690.703-0.5572-0.9957-0.32360.3339-0.08-0.82120.50830.5264-0.07960.18470.5533-0.5130.5076-12.002725.6458-49.4566
372.39650.2167-1.25527.3894-0.38022.08220.09880.73180.2649-0.3743-0.2589-0.0624-0.8253-0.4945-0.04780.8226-00.25220.3896-0.00020.4329-8.981443.5296-45.0671
383.84841.48031.9763.29773.70834.34190.3332-0.79050.5007-0.0928-0.05970.0175-0.9526-0.5183-0.20111.15480.17960.15520.8161-0.23750.6416-16.463452.235-30.0944
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 14 through 39 )A14 - 39
2X-RAY DIFFRACTION2chain 'A' and (resid 40 through 67 )A40 - 67
3X-RAY DIFFRACTION3chain 'B' and (resid 49 through 64 )B49 - 64
4X-RAY DIFFRACTION4chain 'B' and (resid 65 through 29 )B65 - 29
5X-RAY DIFFRACTION5chain 'B' and (resid 30 through 41 )B30 - 41
6X-RAY DIFFRACTION6chain 'B' and (resid 67 through 67 )B67
7X-RAY DIFFRACTION7chain 'C' and (resid 100 through 109 )C100 - 109
8X-RAY DIFFRACTION8chain 'C' and (resid 110 through 114 )C110 - 114
9X-RAY DIFFRACTION9chain 'C' and (resid 115 through 115 )C115
10X-RAY DIFFRACTION10chain 'D' and (resid 113 through 117 )D113 - 117
11X-RAY DIFFRACTION11chain 'D' and (resid 118 through 122 )D118 - 122
12X-RAY DIFFRACTION12chain 'D' and (resid 123 through 129 )D123 - 129
13X-RAY DIFFRACTION13chain 'E' and (resid 15 through 39 )E15 - 39
14X-RAY DIFFRACTION14chain 'E' and (resid 40 through 68 )E40 - 68
15X-RAY DIFFRACTION15chain 'F' and (resid 14 through 15 )F14 - 15
16X-RAY DIFFRACTION16chain 'F' and (resid 16 through 41 )F16 - 41
17X-RAY DIFFRACTION17chain 'F' and (resid 67 through 67 )F67
18X-RAY DIFFRACTION18chain 'G' and (resid 100 through 104 )G100 - 104
19X-RAY DIFFRACTION19chain 'G' and (resid 105 through 109 )G105 - 109
20X-RAY DIFFRACTION20chain 'G' and (resid 110 through 116 )G110 - 116
21X-RAY DIFFRACTION21chain 'H' and (resid 113 through 122 )H113 - 122
22X-RAY DIFFRACTION22chain 'H' and (resid 123 through 129 )H123 - 129
23X-RAY DIFFRACTION23chain 'I' and (resid 15 through 39 )I15 - 39
24X-RAY DIFFRACTION24chain 'I' and (resid 40 through 68 )I40 - 68
25X-RAY DIFFRACTION25chain 'J' and (resid 49 through 14 )J49 - 14
26X-RAY DIFFRACTION26chain 'J' and (resid 15 through 41 )J15 - 41
27X-RAY DIFFRACTION27chain 'K' and (resid 100 through 114 )K100 - 114
28X-RAY DIFFRACTION28chain 'L' and (resid 113 through 117 )L113 - 117
29X-RAY DIFFRACTION29chain 'L' and (resid 118 through 129 )L118 - 129
30X-RAY DIFFRACTION30chain 'M' and (resid 15 through 39 )M15 - 39
31X-RAY DIFFRACTION31chain 'M' and (resid 40 through 68 )M40 - 68
32X-RAY DIFFRACTION32chain 'N' and (resid 49 through 14 )N49 - 14
33X-RAY DIFFRACTION33chain 'N' and (resid 15 through 41 )N15 - 41
34X-RAY DIFFRACTION34chain 'O' and (resid 100 through 109 )O100 - 109
35X-RAY DIFFRACTION35chain 'O' and (resid 110 through 116 )O110 - 116
36X-RAY DIFFRACTION36chain 'P' and (resid 114 through 118 )P114 - 118
37X-RAY DIFFRACTION37chain 'P' and (resid 119 through 123 )P119 - 123
38X-RAY DIFFRACTION38chain 'P' and (resid 124 through 129 )P124 - 129

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