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- PDB-5t6p: Crystal structure of therapeutic mAB AR20.5 in complex with MUC1 ... -

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Basic information

Entry
Database: PDB / ID: 5t6p
TitleCrystal structure of therapeutic mAB AR20.5 in complex with MUC1 peptide
Components
  • Fab Fragment - Heavy Chain
  • Fab fragment AR20.5 - Light Chain
  • MUC1 Peptide Fragment
KeywordsIMMUNE SYSTEM / antibody / Fab
Function / homology
Function and homology information


Defective GALNT3 causes HFTC / Defective C1GALT1C1 causes TNPS / Defective GALNT12 causes CRCS1 / Termination of O-glycan biosynthesis / O-linked glycosylation of mucins / negative regulation of cell adhesion mediated by integrin / negative regulation of transcription by competitive promoter binding / negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator / Dectin-2 family / DNA damage response, signal transduction by p53 class mediator ...Defective GALNT3 causes HFTC / Defective C1GALT1C1 causes TNPS / Defective GALNT12 causes CRCS1 / Termination of O-glycan biosynthesis / O-linked glycosylation of mucins / negative regulation of cell adhesion mediated by integrin / negative regulation of transcription by competitive promoter binding / negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator / Dectin-2 family / DNA damage response, signal transduction by p53 class mediator / localization / DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrest / transcription coregulator activity / Golgi lumen / p53 binding / Interleukin-4 and Interleukin-13 signaling / vesicle / apical plasma membrane / RNA polymerase II cis-regulatory region sequence-specific DNA binding / chromatin / positive regulation of transcription by RNA polymerase II / extracellular space / extracellular exosome / nucleus / plasma membrane
Similarity search - Function
Domain found in sea urchin sperm protein, enterokinase, agrin / SEA domain superfamily / SEA domain profile. / SEA domain / SEA domain / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
Biological speciesMus musculus (house mouse)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.97 Å
AuthorsBrooks, C.L. / Movahedin, M.
CitationJournal: Glycobiology / Year: 2017
Title: Glycosylation of MUC1 influences the binding of a therapeutic antibody by altering the conformational equilibrium of the antigen.
Authors: Movahedin, M. / Brooks, T.M. / Supekar, N.T. / Gokanapudi, N. / Boons, G.J. / Brooks, C.L.
History
DepositionSep 1, 2016Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 11, 2017Provider: repository / Type: Initial release
Revision 1.1Jan 18, 2017Group: Derived calculations
Revision 1.2Jun 14, 2017Group: Database references / Category: citation
Item: _citation.country / _citation.journal_id_CSD ..._citation.country / _citation.journal_id_CSD / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.year
Revision 1.3Oct 11, 2017Group: Data collection / Category: reflns_shell / Item: _reflns_shell.percent_possible_all
Revision 1.4Oct 4, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Fab fragment AR20.5 - Light Chain
B: Fab Fragment - Heavy Chain
C: Fab fragment AR20.5 - Light Chain
D: Fab Fragment - Heavy Chain
E: MUC1 Peptide Fragment
F: MUC1 Peptide Fragment


Theoretical massNumber of molelcules
Total (without water)95,8016
Polymers95,8016
Non-polymers00
Water7,891438
1
A: Fab fragment AR20.5 - Light Chain
B: Fab Fragment - Heavy Chain
F: MUC1 Peptide Fragment


Theoretical massNumber of molelcules
Total (without water)47,9013
Polymers47,9013
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4400 Å2
ΔGint-27 kcal/mol
Surface area18510 Å2
MethodPISA
2
C: Fab fragment AR20.5 - Light Chain
D: Fab Fragment - Heavy Chain
E: MUC1 Peptide Fragment


Theoretical massNumber of molelcules
Total (without water)47,9013
Polymers47,9013
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4430 Å2
ΔGint-28 kcal/mol
Surface area18650 Å2
MethodPISA
Unit cell
Length a, b, c (Å)69.700, 69.700, 363.430
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number152
Space group name H-MP3121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11chain F
21chain E
12(chain A and (resseq 1:202 or (resid 203 and (name...
22(chain C and (resseq 1:57 or (resid 58 and (name...
13(chain B and (resseq 2 or resseq 4:129 or resseq 138:215))
23(chain D and (resseq 2 or resseq 4:129 or resseq 138:215))

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111ASPASPPROPROchain FFF3 - 83 - 8
211ASPASPPROPROchain EEE3 - 83 - 8
112ASPASPTHRTHR(chain A and (resseq 1:202 or (resid 203 and (name...AA1 - 2021 - 202
122HISHISHISHIS(chain A and (resseq 1:202 or (resid 203 and (name...AA203203
132ASPASPARGARG(chain A and (resseq 1:202 or (resid 203 and (name...AA1 - 2161 - 216
142ASPASPARGARG(chain A and (resseq 1:202 or (resid 203 and (name...AA1 - 2161 - 216
152ASPASPARGARG(chain A and (resseq 1:202 or (resid 203 and (name...AA1 - 2161 - 216
162ASPASPARGARG(chain A and (resseq 1:202 or (resid 203 and (name...AA1 - 2161 - 216
172ASPASPARGARG(chain A and (resseq 1:202 or (resid 203 and (name...AA1 - 2161 - 216
182ASPASPARGARG(chain A and (resseq 1:202 or (resid 203 and (name...AA1 - 2161 - 216
192ASPASPARGARG(chain A and (resseq 1:202 or (resid 203 and (name...AA1 - 2161 - 216
1102ASPASPARGARG(chain A and (resseq 1:202 or (resid 203 and (name...AA1 - 2161 - 216
1112ASPASPARGARG(chain A and (resseq 1:202 or (resid 203 and (name...AA1 - 2161 - 216
1122ASPASPARGARG(chain A and (resseq 1:202 or (resid 203 and (name...AA1 - 2161 - 216
1132ASPASPARGARG(chain A and (resseq 1:202 or (resid 203 and (name...AA1 - 2161 - 216
1142ASPASPARGARG(chain A and (resseq 1:202 or (resid 203 and (name...AA1 - 2161 - 216
1152ASPASPARGARG(chain A and (resseq 1:202 or (resid 203 and (name...AA1 - 2161 - 216
1162ASPASPARGARG(chain A and (resseq 1:202 or (resid 203 and (name...AA1 - 2161 - 216
1172ASPASPARGARG(chain A and (resseq 1:202 or (resid 203 and (name...AA1 - 2161 - 216
212ASPASPSERSER(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 571 - 57
222LYSLYSLYSLYS(chain C and (resseq 1:57 or (resid 58 and (name...CC5858
232ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
242ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
252ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
262ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
272ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
282ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
292ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
2102ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
2112ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
2122ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
2132ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
2142ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
2152ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
2162ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
2172ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
2182ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
2192ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
2202ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
2212ASPASPARGARG(chain C and (resseq 1:57 or (resid 58 and (name...CC1 - 2161 - 216
113VALVALVALVAL(chain B and (resseq 2 or resseq 4:129 or resseq 138:215))BB22
123LEULEUPROPRO(chain B and (resseq 2 or resseq 4:129 or resseq 138:215))BB4 - 1294 - 129
133METMETPROPRO(chain B and (resseq 2 or resseq 4:129 or resseq 138:215))BB138 - 215138 - 215
213VALVALVALVAL(chain D and (resseq 2 or resseq 4:129 or resseq 138:215))DD22
223LEULEUPROPRO(chain D and (resseq 2 or resseq 4:129 or resseq 138:215))DD4 - 1294 - 129
233METMETPROPRO(chain D and (resseq 2 or resseq 4:129 or resseq 138:215))DD138 - 215138 - 215

NCS ensembles :
ID
1
2
3

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Components

#1: Antibody Fab fragment AR20.5 - Light Chain


Mass: 23943.729 Da / Num. of mol.: 2 / Fragment: antibody Fab fragment
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Cell line (production host): Hybridoma, AR20.5 / Production host: Mus musculus (house mouse)
#2: Antibody Fab Fragment - Heavy Chain


Mass: 23131.971 Da / Num. of mol.: 2 / Fragment: MUC1 peptide APDTRPAP
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Cell line (production host): hybridoma AR20.5 / Production host: Mus musculus (house mouse)
#3: Protein/peptide MUC1 Peptide Fragment


Mass: 824.901 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: P15941*PLUS
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 438 / 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: 2.66 Å3/Da / Density % sol: 53.76 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8 / Details: PEG 20000

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: CLSI / Beamline: 08ID-1 / Wavelength: 0.97949 Å
DetectorType: RAYONIX MX300HE / Detector: CCD / Date: Jun 7, 2013
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97949 Å / Relative weight: 1
Reflection twinOperator: -h,-k,l / Fraction: 0.1
ReflectionResolution: 1.91→46.44 Å / Num. obs: 81198 / % possible obs: 99.7 % / Observed criterion σ(I): -3 / Redundancy: 10 % / CC1/2: 0.996 / Rmerge(I) obs: 0.118 / Net I/σ(I): 11.34
Reflection shell
Resolution (Å)Highest resolution (Å)Rmerge(I) obsMean I/σ(I) obsCC1/2Diffraction-ID% possible all
1.91-1.960.7652.860.911198.8
1.96-2.010.7053.280.8141100
2.01-2.070.5434.250.8671100
2.07-2.140.4345.270.9111100
2.14-2.210.3745.960.9331100
2.21-2.280.4025.420.956197.7
2.28-2.370.287.960.961100
2.37-2.470.2239.890.9721100
2.47-2.580.18811.610.9791100
2.58-2.70.16313.150.9841100
2.7-2.850.13615.480.9871100
2.85-3.020.12117.370.991100
3.02-3.230.11218.870.9911100
3.23-3.490.10420.130.9911100
3.49-3.820.120.440.992199.9
3.82-4.270.09321.340.9941100
4.27-4.930.08622.030.9941100
4.93-6.040.07622.080.9951100
6.04-8.540.06922.010.995199.5
8.540.0721.230.993193.6

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Processing

Software
NameVersionClassification
PHENIX1.10.1_2155refinement
PDB_EXTRACT3.2data extraction
XDSdata reduction
XDSdata scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4HGW

4hgw


Resolution: 1.97→46.437 Å / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 28.91
RfactorNum. reflection% reflection
Rfree0.2324 3612 4.88 %
Rwork0.2213 --
obs0.2228 74059 99.81 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 181.61 Å2 / Biso mean: 47.8871 Å2 / Biso min: 17.4 Å2
Refinement stepCycle: final / Resolution: 1.97→46.437 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6596 0 0 438 7034
Biso mean---39.3 -
Num. residues----856
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0046776
X-RAY DIFFRACTIONf_angle_d0.8319234
X-RAY DIFFRACTIONf_chiral_restr0.0461032
X-RAY DIFFRACTIONf_plane_restr0.0041166
X-RAY DIFFRACTIONf_dihedral_angle_d10.9294036
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11F54X-RAY DIFFRACTION4.084TORSIONAL
12E54X-RAY DIFFRACTION4.084TORSIONAL
21A2619X-RAY DIFFRACTION4.084TORSIONAL
22C2619X-RAY DIFFRACTION4.084TORSIONAL
31B2401X-RAY DIFFRACTION4.084TORSIONAL
32D2401X-RAY DIFFRACTION4.084TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
1.9703-2.00420.30561910.30063469366095
2.0042-2.04070.31791820.29073480366295
2.0407-2.07990.29571870.29953415360295
2.0799-2.12240.28741550.28153542369796
2.1224-2.16850.28151770.28883467364495
2.1685-2.2190.27031710.31083432360395
2.219-2.27450.49171830.46623377356092
2.2745-2.33590.33161850.30513511369695
2.3359-2.40470.27771910.27883487367895
2.4047-2.48230.2681430.2783516365996
2.4823-2.5710.27291680.27823504367295
2.571-2.67390.26382160.26483480369694
2.6739-2.79560.27471470.25273559370696
2.7956-2.94290.22641660.24183488365495
2.9429-3.12720.23932160.22383497371394
3.1272-3.36850.23931600.2163580374096
3.3685-3.70730.21642010.19753540374195
3.7073-4.24320.1741640.16563610377496
4.2432-5.34390.16651970.13973665386295
5.3439-39.36940.19932080.18863817402594
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)
11.48170.07820.25044.1632-0.77792.2554-0.1614-0.04670.14280.2129-0.048-0.2749-0.00310.12470.16420.23670.11570.02080.25380.0140.208770.581174.899456.4106
21.0626-1.09640.03463.4107-1.02651.10420.06520.21350.0917-0.0007-0.2937-0.28080.04080.11230.21480.27270.10260.05120.29830.0280.176561.998889.188947.8825
37.4513-1.26262.28562.2497-0.69282.02970.0447-0.05340.74210.0106-0.1612-0.0348-0.2276-0.140.11670.34210.08650.07550.26890.05290.248253.4086108.22544.4865
40.81230.18960.90023.04940.11511.0331-0.00970.11120.0853-0.2955-0.07860.5073-0.1648-0.48840.28050.38170.0945-0.06770.3902-0.05320.304847.764672.997539.7892
54.2049-1.46560.0882.93350.53811.2163-0.03430.1177-0.1506-0.3253-0.05480.33340.0161-0.16430.06460.31460.08180.0110.2768-0.0040.214356.616866.090540.5972
61.7778-0.8375-0.74921.51121.50772.3793-0.0581-0.4670.46460.28820.02150.2365-0.0801-0.28180.2670.32520.21170.06520.4117-0.05090.324654.337971.961851.7386
73.7935-0.110.87433.36220.67092.7607-0.0867-0.5628-0.33640.35670.00650.41340.228-0.39390.03430.34380.0420.08280.39250.01140.330550.666560.418648.5035
84.13720.64220.94433.5533-0.30312.1968-0.1177-0.12120.00130.11370.03450.5949-0.012-0.33540.18050.20660.09020.02280.31640.02870.294546.959267.019443.1637
94.13280.00210.99652.320.09151.739-0.25620.00850.0604-0.06350.07780.13450.12420.10060.13250.26580.0820.03720.2242-0.00240.177361.735168.905344.562
106.5469-3.46780.20532.61481.10721.9056-0.00720.10140.90020.0879-0.23620.3903-0.6195-0.3445-0.17010.28390.1359-0.0640.3599-0.04950.45649.430677.239942.1012
111.27542.2957-0.6414.4671-2.07813.2372-0.08620.5552-0.2433-0.21130.24450.67940.119-0.0739-0.31080.24870.230.0240.658-0.15350.656142.208893.556235.606
123.54250.8975-0.66780.9506-0.53270.30680.12530.414-0.13070.077-0.00930.3084-0.0296-0.04330.00450.36040.28820.0060.5801-0.1820.385452.116199.413134.212
134.4353-0.3103-0.73542.4371-0.73060.8862-0.210.6562-1.6265-0.1534-0.12060.08120.3339-0.05670.56240.33270.1504-0.10380.5246-0.350.965351.511188.974633.8562
145.0173-0.213-1.50222.3195-0.89224.58280.02091.1219-0.7499-0.228-0.1127-0.11570.05760.06890.18140.30580.1274-0.00010.5564-0.06750.363455.367697.605533.8674
152.3771-2.0766-1.67941.82061.55352.4019-0.39390.8902-1.2718-0.0967-0.03610.11240.3737-0.59170.63340.41010.0418-0.01610.8639-0.68191.088947.436287.726230.8224
164.38991.2581-2.10385.5460.61043.4745-0.13011.1443-0.776-0.4326-0.280.12810.2087-0.7148-0.13030.42520.1852-0.04781.2635-0.39730.439648.97396.206825.0899
171.5442-0.5459-0.06964.2435-1.11392.98310.00390.0146-0.0821-0.10760.0286-0.2093-0.0310.0725-0.00360.166-0.07250.00220.1815-0.03670.2049104.2044110.55155.1495
182.6424-0.0644-0.40814.7513-0.86991.93070.0145-0.1756-0.03760.4287-0.0449-0.8451-0.21590.5168-0.02450.23-0.0538-0.05410.3123-0.02370.3201111.0324113.46159.0578
191.76181.33630.30115.3644-1.44471.07420.1798-0.0792-0.25650.1342-0.2155-0.22-0.0510.2180.09860.2664-0.0380.05110.2347-0.01230.2044102.6956104.23399.9177
206.27992.3482-0.90063.2568-0.59131.19150.5303-0.9743-0.25380.4365-0.55870.1376-0.09310.141-0.06860.4117-0.1403-0.03230.32830.02840.279384.522583.789722.3671
215.15080.9702-0.87482.5024-0.33031.47950.3499-0.0192-1.45830.3557-0.2915-0.31150.2561-0.06230.01250.4108-0.0762-0.06990.25910.03350.499385.282478.932518.2874
225.78971.3671.48063.42031.22712.4319-0.115-0.51950.34360.2993-0.07140.6165-0.2036-0.40530.14860.30690.00330.09010.3203-0.06610.322685.8809119.850416.4361
235.69051.2423-0.29928.69651.05934.28290.04350.4186-0.762-0.26940.18620.11410.2914-0.53860.0040.1984-0.0537-0.04760.2861-0.0610.20289.6385114.91716.1596
245.19881.28791.5186.36451.79294.4997-0.18770.22110.671-0.12750.0690.0985-0.5615-0.31270.02590.34430.016-0.00280.31560.01940.439489.192129.75687.1299
254.32260.64521.16134.27611.10294.10780.04880.02430.35530.0113-0.12980.4519-0.1256-0.48610.04910.27150.04180.01510.3701-0.02960.428482.7113125.311311.668
268.4731-0.8912.00084.5301-2.60755.5318-0.0951.0667-0.7463-0.75270.18530.87380.1747-0.5375-0.08390.3374-0.0742-0.05830.5702-0.0430.625377.3239113.40243.416
277.93241.50871.16463.79470.25062.7935-0.0675-0.1294-0.35280.21030.05280.2183-0.1803-0.2105-0.01850.23490.00290.0640.1907-0.04040.281191.4733116.844514.594
280.40620.6624-1.15184.2424-2.31045.98050.1391-0.39910.40130.4671-0.11320.5013-0.2421-0.1325-0.07330.2877-0.20830.01370.4929-0.12010.580473.590295.941221.5986
296.6818-1.77962.06527.0672-2.6796.6460.5855-0.99780.19650.8779-0.72690.35890.52270.20080.16520.5247-0.24340.14160.5498-0.1720.341682.659990.360226.3746
303.9748-0.36990.04173.6055-0.30352.90440.0804-0.74471.12990.7532-0.24760.08160.05950.07770.2960.3957-0.16220.04720.4781-0.14470.445183.981196.096222.5962
314.2688-1.38010.8760.8129-0.67920.6075-0.2697-1.5380.02411.38770.0575-0.2287-0.29080.02390.16471.2269-0.1919-0.06291.53730.13570.379988.304288.668141.0943
325.3780.13130.42584.37650.47214.36720.2677-1.02481.33290.7779-0.09690.50250.0399-0.06520.09740.4836-0.19040.10310.5901-0.37490.814877.4805102.611726.308
336.95730.2614-0.16562.62140.82393.79660.0249-1.63550.93761.2308-0.30690.52850.07140.01520.13870.6633-0.29640.20371.0814-0.35330.687377.323195.124533.5846
341.41320.18-0.3170.21160.05520.1199-0.0597-0.31020.5850.00170.2223-0.5432-0.35880.2130.1810.3790.0057-0.06260.2695-0.10340.3926101.511127.09127.1869
351.85410.44471.98270.31390.12382.7225-0.0753-0.1065-0.48550.34860.255-0.35150.74590.11520.16680.43930.09270.04350.2461-0.0330.267166.243159.698252.1431
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 80 )A1 - 80
2X-RAY DIFFRACTION2chain 'A' and (resid 81 through 133 )A81 - 133
3X-RAY DIFFRACTION3chain 'A' and (resid 134 through 216 )A134 - 216
4X-RAY DIFFRACTION4chain 'B' and (resid 2 through 17 )B2 - 17
5X-RAY DIFFRACTION5chain 'B' and (resid 18 through 40 )B18 - 40
6X-RAY DIFFRACTION6chain 'B' and (resid 41 through 51 )B41 - 51
7X-RAY DIFFRACTION7chain 'B' and (resid 52 through 73 )B52 - 73
8X-RAY DIFFRACTION8chain 'B' and (resid 74 through 91 )B74 - 91
9X-RAY DIFFRACTION9chain 'B' and (resid 92 through 106 )B92 - 106
10X-RAY DIFFRACTION10chain 'B' and (resid 107 through 114 )B107 - 114
11X-RAY DIFFRACTION11chain 'B' and (resid 115 through 129 )B115 - 129
12X-RAY DIFFRACTION12chain 'B' and (resid 138 through 148 )B138 - 148
13X-RAY DIFFRACTION13chain 'B' and (resid 149 through 160 )B149 - 160
14X-RAY DIFFRACTION14chain 'B' and (resid 161 through 196 )B161 - 196
15X-RAY DIFFRACTION15chain 'B' and (resid 197 through 206 )B197 - 206
16X-RAY DIFFRACTION16chain 'B' and (resid 207 through 215 )B207 - 215
17X-RAY DIFFRACTION17chain 'C' and (resid 1 through 53 )C1 - 53
18X-RAY DIFFRACTION18chain 'C' and (resid 54 through 80 )C54 - 80
19X-RAY DIFFRACTION19chain 'C' and (resid 81 through 118 )C81 - 118
20X-RAY DIFFRACTION20chain 'C' and (resid 119 through 149 )C119 - 149
21X-RAY DIFFRACTION21chain 'C' and (resid 150 through 216 )C150 - 216
22X-RAY DIFFRACTION22chain 'D' and (resid 2 through 40 )D2 - 40
23X-RAY DIFFRACTION23chain 'D' and (resid 41 through 51 )D41 - 51
24X-RAY DIFFRACTION24chain 'D' and (resid 52 through 61 )D52 - 61
25X-RAY DIFFRACTION25chain 'D' and (resid 62 through 83 )D62 - 83
26X-RAY DIFFRACTION26chain 'D' and (resid 84 through 91 )D84 - 91
27X-RAY DIFFRACTION27chain 'D' and (resid 92 through 114 )D92 - 114
28X-RAY DIFFRACTION28chain 'D' and (resid 115 through 129 )D115 - 129
29X-RAY DIFFRACTION29chain 'D' and (resid 138 through 148 )D138 - 148
30X-RAY DIFFRACTION30chain 'D' and (resid 149 through 186 )D149 - 186
31X-RAY DIFFRACTION31chain 'D' and (resid 187 through 196 )D187 - 196
32X-RAY DIFFRACTION32chain 'D' and (resid 197 through 206 )D197 - 206
33X-RAY DIFFRACTION33chain 'D' and (resid 207 through 215 )D207 - 215
34X-RAY DIFFRACTION34chain 'E' and (resid 3 through 8 )E3 - 8
35X-RAY DIFFRACTION35chain 'F' and (resid 3 through 8 )F3 - 8

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