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- PDB-7z58: Crystal structure of human Cathepsin L in complex with covalently... -

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Basic information

Entry
Database: PDB / ID: 7z58
TitleCrystal structure of human Cathepsin L in complex with covalently bound Calpeptin
ComponentsCathepsin L
KeywordsHYDROLASE / cathepsin / cystein protease / drug development / drug target / peptide-like inhibitor / lysosome / protein degradation / SARS-CoV-2 / COVID-19 / spike protein maturation
Function / homology
Function and homology information


enkephalin processing / cathepsin L / CD4-positive, alpha-beta T cell lineage commitment / macrophage apoptotic process / chromaffin granule / elastin catabolic process / antigen processing and presentation of peptide antigen / RUNX1 regulates transcription of genes involved in differentiation of keratinocytes / endolysosome lumen / cellular response to thyroid hormone stimulus ...enkephalin processing / cathepsin L / CD4-positive, alpha-beta T cell lineage commitment / macrophage apoptotic process / chromaffin granule / elastin catabolic process / antigen processing and presentation of peptide antigen / RUNX1 regulates transcription of genes involved in differentiation of keratinocytes / endolysosome lumen / cellular response to thyroid hormone stimulus / zymogen activation / Trafficking and processing of endosomal TLR / proteoglycan binding / Assembly of collagen fibrils and other multimeric structures / cysteine-type endopeptidase activator activity involved in apoptotic process / protein autoprocessing / fibronectin binding / Collagen degradation / antigen processing and presentation / collagen catabolic process / serpin family protein binding / Attachment and Entry / cysteine-type peptidase activity / endocytic vesicle lumen / collagen binding / MHC class II antigen presentation / Degradation of the extracellular matrix / multivesicular body / lysosomal lumen / proteolysis involved in protein catabolic process / positive regulation of apoptotic signaling pathway / Endosomal/Vacuolar pathway / antigen processing and presentation of exogenous peptide antigen via MHC class II / histone binding / collagen-containing extracellular matrix / adaptive immune response / receptor-mediated endocytosis of virus by host cell / Attachment and Entry / lysosome / symbiont entry into host cell / immune response / apical plasma membrane / fusion of virus membrane with host plasma membrane / cysteine-type endopeptidase activity / intracellular membrane-bounded organelle / fusion of virus membrane with host endosome membrane / Golgi apparatus / proteolysis / extracellular space / extracellular exosome / extracellular region / nucleus / plasma membrane
Similarity search - Function
Cathepsin propeptide inhibitor domain (I29) / Cathepsin propeptide inhibitor domain (I29) / Cathepsin propeptide inhibitor domain (I29) / Papain-like cysteine endopeptidase / : / Cysteine peptidase, asparagine active site / Eukaryotic thiol (cysteine) proteases asparagine active site. / Cysteine peptidase, histidine active site / Eukaryotic thiol (cysteine) proteases histidine active site. / Peptidase C1A, papain C-terminal ...Cathepsin propeptide inhibitor domain (I29) / Cathepsin propeptide inhibitor domain (I29) / Cathepsin propeptide inhibitor domain (I29) / Papain-like cysteine endopeptidase / : / Cysteine peptidase, asparagine active site / Eukaryotic thiol (cysteine) proteases asparagine active site. / Cysteine peptidase, histidine active site / Eukaryotic thiol (cysteine) proteases histidine active site. / Peptidase C1A, papain C-terminal / Papain family cysteine protease / Papain family cysteine protease / Cysteine peptidase, cysteine active site / Eukaryotic thiol (cysteine) proteases cysteine active site. / Papain-like cysteine peptidase superfamily
Similarity search - Domain/homology
DI(HYDROXYETHYL)ETHER / TRIETHYLENE GLYCOL / Calpeptin / Procathepsin L
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.35 Å
AuthorsReinke, P.Y.A. / Falke, S. / Lieske, J. / Ewert, W. / Loboda, J. / Rahmani Mashhour, A. / Hauser, M. / Karnicar, K. / Usenik, A. / Lindic, N. ...Reinke, P.Y.A. / Falke, S. / Lieske, J. / Ewert, W. / Loboda, J. / Rahmani Mashhour, A. / Hauser, M. / Karnicar, K. / Usenik, A. / Lindic, N. / Lach, M. / Boehler, H. / Beck, T. / Cox, R. / Chapman, H.N. / Hinrichs, W. / Turk, D. / Guenther, S. / Meents, A.
Funding support Germany, Slovenia, 6items
OrganizationGrant numberCountry
Helmholtz AssociationFISCOV Germany
Helmholtz AssociationSFragX Germany
German Federal Ministry for Education and Research16GW0277 Germany
German Federal Ministry for Education and Research031B0405 Germany
Slovenian Research AgencyP1-0048 Slovenia
Slovenian Research AgencyIO-0048 Slovenia
Citation
Journal: Commun Biol / Year: 2023
Title: Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Authors: Reinke, P.Y.A. / de Souza, E.E. / Gunther, S. / Falke, S. / Lieske, J. / Ewert, W. / Loboda, J. / Herrmann, A. / Rahmani Mashhour, A. / Karnicar, K. / Usenik, A. / Lindic, N. / Sekirnik, A. ...Authors: Reinke, P.Y.A. / de Souza, E.E. / Gunther, S. / Falke, S. / Lieske, J. / Ewert, W. / Loboda, J. / Herrmann, A. / Rahmani Mashhour, A. / Karnicar, K. / Usenik, A. / Lindic, N. / Sekirnik, A. / Botosso, V.F. / Santelli, G.M.M. / Kapronezai, J. / de Araujo, M.V. / Silva-Pereira, T.T. / Filho, A.F.S. / Tavares, M.S. / Florez-Alvarez, L. / de Oliveira, D.B.L. / Durigon, E.L. / Giaretta, P.R. / Heinemann, M.B. / Hauser, M. / Seychell, B. / Bohler, H. / Rut, W. / Drag, M. / Beck, T. / Cox, R. / Chapman, H.N. / Betzel, C. / Brehm, W. / Hinrichs, W. / Ebert, G. / Latham, S.L. / Guimaraes, A.M.S. / Turk, D. / Wrenger, C. / Meents, A.
#1: Journal: Acta Crystallogr D Biol Crystallogr / Year: 2010
Title: PHENIX: a comprehensive Python-based system for macromolecular structure solution.
Authors: Adams, P.D. / Afonine, P.V. / Bunkoczi, G. / Chen, V.B. / Davis, I.W. / Echols, N. / Headd, J.J. / Hung, L.W. / Kapral, G.J. / Grosse-Kunstleve, R.W. / McCoy, A.J. / Moriarty, N.W. / ...Authors: Adams, P.D. / Afonine, P.V. / Bunkoczi, G. / Chen, V.B. / Davis, I.W. / Echols, N. / Headd, J.J. / Hung, L.W. / Kapral, G.J. / Grosse-Kunstleve, R.W. / McCoy, A.J. / Moriarty, N.W. / Oeffner, R. / Read, R.J. / Richardson, D.C. / Richardson, J.S. / Terwilliger, T.C. / Zwart, P.H.
History
DepositionMar 8, 2022Deposition site: PDBE / Processing site: PDBE
Revision 1.0Mar 22, 2023Provider: repository / Type: Initial release
Revision 1.1Nov 1, 2023Group: Data collection / Database references
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / 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
Revision 1.2Feb 7, 2024Group: Refinement description / Category: pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Cathepsin L
B: Cathepsin L
C: Cathepsin L
D: Cathepsin L
hetero molecules


Theoretical massNumber of molelcules
Total (without water)100,04726
Polymers96,6474
Non-polymers3,40022
Water17,384965
1
A: Cathepsin L
hetero molecules


Theoretical massNumber of molelcules
Total (without water)25,1017
Polymers24,1621
Non-polymers9396
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Cathepsin L
hetero molecules


Theoretical massNumber of molelcules
Total (without water)24,8796
Polymers24,1621
Non-polymers7175
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Cathepsin L
hetero molecules


Theoretical massNumber of molelcules
Total (without water)24,9516
Polymers24,1621
Non-polymers7895
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: Cathepsin L
hetero molecules


Theoretical massNumber of molelcules
Total (without water)25,1177
Polymers24,1621
Non-polymers9556
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)57.180, 62.450, 67.820
Angle α, β, γ (deg.)105.578, 93.134, 115.562
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z

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Components

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Protein , 1 types, 4 molecules ABCD

#1: Protein
Cathepsin L


Mass: 24161.676 Da / Num. of mol.: 4 / Mutation: T110A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CTSL, CTSL1 / Production host: Komagataella phaffii GS115 (fungus) / References: UniProt: P07711

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Non-polymers , 6 types, 987 molecules

#2: Chemical
ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol


Mass: 106.120 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C4H10O3
#3: Chemical
ChemComp-PGE / TRIETHYLENE GLYCOL / Polyethylene glycol


Mass: 150.173 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C6H14O4
#4: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C2H6O2
#5: Chemical
ChemComp-RN2 / Calpeptin


Mass: 364.479 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C20H32N2O4 / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical ChemComp-DMS / DIMETHYL SULFOXIDE / Dimethyl sulfoxide


Mass: 78.133 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C2H6OS / Comment: DMSO, precipitant*YM
#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 965 / 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: 2.14 Å3/Da / Density % sol: 42.62 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 4
Details: Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after ...Details: Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days, were transferred to a compound soaking solution containing 22% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0 as well as 5% v/v DMSO and 10% v/v PEG 400.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: PETRA III, DESY / Beamline: P11 / Wavelength: 1.033 Å
DetectorType: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Dec 2, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.033 Å / Relative weight: 1
ReflectionResolution: 1.35→49.64 Å / Num. obs: 175672 / % possible obs: 99.98 % / Redundancy: 61.1 % / Biso Wilson estimate: 12.36 Å2 / CC1/2: 0.999 / CC star: 1 / Rmerge(I) obs: 0.2549 / Rpim(I) all: 0.0307 / Rrim(I) all: 0.2568 / Net I/σ(I): 16.83
Reflection shellResolution: 1.35→1.398 Å / Redundancy: 23.1 % / Rmerge(I) obs: 1.335 / Mean I/σ(I) obs: 2.11 / Num. unique obs: 17547 / CC1/2: 0.835 / CC star: 0.954 / Rpim(I) all: 0.2767 / Rrim(I) all: 1.364 / % possible all: 99.9

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Processing

Software
NameVersionClassification
Cootmodel building
PHENIX1.18-3855_9999refinement
XDSdata reduction
XSCALEdata scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7QKC

7qkc


Resolution: 1.35→49.64 Å / SU ML: 0.1145 / Cross valid method: FREE R-VALUE / σ(F): 1.98 / Phase error: 15.9202
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.1578 2009 1.14 %
Rwork0.13 173657 -
obs0.1303 175666 99.97 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 20.09 Å2
Refinement stepCycle: LAST / Resolution: 1.35→49.64 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6753 0 230 965 7948
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01087584
X-RAY DIFFRACTIONf_angle_d1.085910240
X-RAY DIFFRACTIONf_chiral_restr0.0868991
X-RAY DIFFRACTIONf_plane_restr0.00821406
X-RAY DIFFRACTIONf_dihedral_angle_d6.72851199
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.35-1.380.26021620.236112415X-RAY DIFFRACTION99.72
1.38-1.420.19591230.196612433X-RAY DIFFRACTION99.98
1.42-1.460.22051470.1812410X-RAY DIFFRACTION99.99
1.46-1.510.18671510.154512367X-RAY DIFFRACTION100
1.51-1.560.17351360.140212402X-RAY DIFFRACTION99.98
1.56-1.630.15551440.130212388X-RAY DIFFRACTION99.98
1.63-1.70.14121410.12412406X-RAY DIFFRACTION99.99
1.7-1.790.15421520.121112460X-RAY DIFFRACTION99.99
1.79-1.90.15371320.120312327X-RAY DIFFRACTION99.98
1.9-2.050.14511460.114312436X-RAY DIFFRACTION100
2.05-2.260.14891420.114712384X-RAY DIFFRACTION100
2.26-2.580.14841500.117712428X-RAY DIFFRACTION99.99
2.58-3.250.14261370.126612408X-RAY DIFFRACTION100
3.25-49.640.15721460.127712393X-RAY DIFFRACTION99.96
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)
11.609706225310.9401584371610.9873861167441.689593843920.7856029384011.344186159570.005535906262420.0691165067615-0.110783480595-0.06215055487060.0893357079159-0.1479182597030.003592834494380.0388943450461-0.06640898340640.121721682258-0.02172784987060.0470933054010.123809839891-0.04450466995780.11639336835522.7533559267-17.1959294703-10.1414074702
20.9121888834630.7616909472261.175699414651.053331040961.208084835721.922453114260.0805900549879-0.0555649466276-0.1284501326880.0286698893385-0.0115006151405-0.1193840663660.123889067044-0.183033591236-0.04659982545850.124328522845-0.02352009997870.03203644599020.128714339302-0.01499934987220.1346686739523.7417591024-14.4895559627-0.271771326299
31.505703971940.596355657344-0.1056740832621.53263573529-0.1336407945910.7259203131110.0295856089472-0.0484564674079-0.1421802012250.0535141154913-0.00239184468509-0.1084901259210.03905373323130.0245072916657-0.02152872654050.0900198457660.009298019862980.01026580129630.0603378852948-0.007575400455730.10818461703551.4787233702-3.2743422845423.9840998874
41.425905212820.0996766763131-0.830100750790.539546573380.06526692583311.45878081938-0.02964808649220.298031165974-0.0479678009494-0.08005984294310.054383996811-0.04907872964080.026969929267-0.0598355313208-0.02261541464690.0926630692979-0.01003939540850.01516787327940.119052118251-0.01855500331340.10225674686650.94148618521.944207949948.17489935625
52.869154747161.68375367268-1.09366751825.49211941326-0.3430373442173.60267182804-0.04213133850190.7500711993380.469301114267-0.6286529693560.1120097795620.0772263335886-0.5614550163380.1120262054630.02187130293720.246773505872-0.0358512034930.05093114653990.2658498506050.07078190687580.19886953363255.234631791514.41085210072.77209452828
61.947789260240.0451039780452-0.5307820776360.485847509215-0.131658896341.865034080850.0176896533040.271765043675-0.0236954442751-0.03018829659860.0161737621214-0.0496788858083-0.06115135276020.0649245480656-0.03337696278580.105311686478-0.01609045639580.03165524924820.0918226300219-0.02318136674720.10790511662754.62975724522.754795019188.8371157866
74.119781672831.867242311751.216748570263.708046601850.6937478562553.034440767520.05884431873510.0223778526102-0.1499740408240.0532234763138-0.01403391387540.02716573628240.246659951704-0.246595424037-0.0339977037490.143740156953-0.0407436223140.06208617776580.1258249503950.01032987113810.073639234427224.0948427026.48955002403-10.9261671716
82.298616607140.8971865913420.1185745601742.137195112160.3799099777921.88298642597-0.06899884834430.153551244762-0.130538815815-0.08556373996650.0444745027878-0.08580458943240.1229680617980.04965087947080.02719377004880.125581000252-0.01155481617460.03372271822130.0999927709256-0.0005853120064550.079244260886233.687204128510.6429021836-16.7233569393
94.38598935265-0.478288964049-0.1752849780182.91288305518-0.2902495677433.434856980860.0394743693444-0.047555316328-0.06848417871580.0500019161791-0.0406532289672-0.183053242927-0.01346328749270.29125803313-0.001422726530490.0963743190139-0.04878914798040.01748379887680.09640657627120.004085966916790.094273725993739.817010325115.89594283-13.5451213249
102.94659696149-0.3600662557412.372732679494.12286375343-3.288163048294.356491247640.1317652677190.5570520501480.474045386635-0.228538070199-0.0467926041847-0.06247076012020.0442718136027-0.189065095444-0.04661117842990.145050035804-0.04971718789110.008006348551450.1329236794310.008088359454420.075840167372627.777313469716.1082878948-23.5891436793
115.95286613478-4.85306942461-2.982596668294.333330549493.383018815813.901831387760.2287158344460.7081392254780.106344194526-0.374109453136-0.1730685207460.253994972497-0.0734537743395-0.812701125423-0.05459483655560.195630857013-0.04821699195750.009097557530890.364832586020.06792850571650.15548626012513.174677703612.4647948839-22.5909641107
121.063175883320.404026743716-1.223404639740.270648338466-0.8427471139722.979481074260.05590259616260.09247347381820.1310373408690.09954507572220.0278898589670.130507695949-0.00479927131803-0.42651891578-0.06544827435850.165185240881-0.0283362947890.04754467908490.198621039490.004903505062450.15180368597515.082740695614.2109358136-3.263578974
135.571504261460.429640094114-0.5768586543364.305669277020.6461301661241.960356336140.007221159625150.1791217365290.1079620523450.08065144094570.02353680941560.469932988452-0.0138646692121-0.613196590104-0.01961879138360.183499858169-0.02464248332690.05512611026450.30374258990.05954606366710.12628317468712.883933788213.3022726269-10.6873688812
142.8606362116-0.179964542989-0.5197192310611.1426308393-0.6256011683952.398456392960.01426786452010.02954388512770.05015591961140.009168601183910.1056247451390.1458021884690.0864751574599-0.474868779536-0.09640657721790.150602710651-0.03975932815290.03771049640460.1748159774380.002909177755530.13181258331417.190853875112.9092091854-9.71070547419
152.20462580555-0.465794266660.4964867123852.3686379873-1.488886884442.563142882560.0561697067766-0.0259497686321-0.0692511972122-0.0391188985877-0.001093642506030.1555656046630.0736892769716-0.023653258435-0.06348923447080.08564608217150.001770878437930.02406209091940.0401493677821-0.04002423755380.060370922425312.756257673112.607036496923.4862044544
161.228624514140.5847532967840.1730849652482.56617223366-0.2585258068170.8852764462050.00710078805413-0.04221108711290.09852369338650.106176576532-0.06013935152150.0312921352507-0.0384143463442-0.01263274381810.05054709483470.1045839822220.005454181848810.02571114323240.0535172452762-0.01609074193880.1036237056313.335458087625.890209233928.2662931946
171.34716732334-0.981604311444-0.3563836049592.931914546381.063118470575.350857542070.128438650212-0.01718971096360.186386027173-0.0571743755944-0.09220539532630.331914552984-0.328114632205-0.165378200979-0.05911180120180.1292158271160.01061468463430.02484150030630.0831535160647-0.01910476165540.2156155984225.6547853793632.729757602523.3210210024
185.29568790869-4.531390385211.040139029345.07121787187-0.3067340928571.21126189667-0.289406508555-0.2855132376240.09335634899610.4560428165920.201338501696-0.0735244191882-0.008857579057160.004322718602210.06878426128070.175133710331-0.02947700065960.02223476292940.0715287511434-0.01583022540820.11583355699218.407006810322.021939463935.3836036752
196.85602380069-0.650725906061-4.980876253626.097377080562.282449595148.00350111906-0.17784445202-0.430710073845-0.1615841203160.2970242812960.158486183579-0.08268126349250.2749630066850.291688007169-0.003915485749650.1267879238630.0097987202666-0.000591365415460.08645909979640.0127589072020.068669054019722.63548041548.1179066309135.2684643556
201.24009784579-0.295108223574-0.2387415948611.553280241930.1426543806371.49417411695-0.01324834468720.0464505349955-0.0478163199512-0.00584692686056-0.0130204817046-0.03560761117610.08786285188380.03729799487230.001069259792130.0831850277859-0.001217083818450.02193046322510.0600422280732-0.001344940782640.089213887365922.60368909118.3589322514418.8064071752
212.09443092843-1.03352351962-0.1419525394531.778110558680.2694889223320.244689043651-0.0242053691199-0.06966672699290.04022495111150.1358913526090.0451596718765-0.06523764349750.02676083041340.0401933655163-0.01303749886370.0988425906964-0.01017710915340.02051486918360.04909498507950.008058981713580.070988988897424.356762382211.352819160126.8334907682
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 1 through 80 )AA1 - 801 - 84
22chain 'A' and (resid 81 through 220 )AA81 - 22085 - 230
33chain 'B' and (resid 1 through 104 )BC1 - 1041 - 108
44chain 'B' and (resid 105 through 171 )BC105 - 171109 - 181
55chain 'B' and (resid 172 through 186 )BC172 - 186182 - 196
66chain 'B' and (resid 187 through 220 )BC187 - 220197 - 232
77chain 'C' and (resid 2 through 24 )CG2 - 241 - 25
88chain 'C' and (resid 25 through 60 )CG25 - 6026 - 62
99chain 'C' and (resid 61 through 104 )CG61 - 10463 - 108
1010chain 'C' and (resid 105 through 118 )CG105 - 118109 - 123
1111chain 'C' and (resid 119 through 129 )CG119 - 129124 - 135
1212chain 'C' and (resid 130 through 154 )CG130 - 154136 - 162
1313chain 'C' and (resid 155 through 186 )CG155 - 186163 - 191
1414chain 'C' and (resid 187 through 220 )CG187 - 220192 - 228
1515chain 'D' and (resid 1 through 24 )DI1 - 241 - 27
1616chain 'D' and (resid 25 through 80 )DI25 - 8028 - 85
1717chain 'D' and (resid 81 through 104 )DI81 - 10486 - 111
1818chain 'D' and (resid 105 through 118 )DI105 - 118112 - 126
1919chain 'D' and (resid 119 through 129 )DI119 - 129127 - 138
2020chain 'D' and (resid 130 through 197 )DI130 - 197139 - 210
2121chain 'D' and (resid 198 through 220 )DI198 - 220211 - 235

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