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- PDB-4ps1: Caspase-8 specific unnatural amino acid peptides -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 4ps1
TitleCaspase-8 specific unnatural amino acid peptides
Components
  • (BAL)LQ(HYP)(1U8) PEPTIDE
  • Caspase-8
KeywordsHYDROLASE/HYDROLASE INHIBITOR / PROTEASE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Function / homology
Function and homology information


caspase-8 / syncytiotrophoblast cell differentiation involved in labyrinthine layer development / death effector domain binding / FasL/ CD95L signaling / TRAIL signaling / CD95 death-inducing signaling complex / Apoptotic execution phase / Activation, myristolyation of BID and translocation to mitochondria / ripoptosome / Defective RIPK1-mediated regulated necrosis ...caspase-8 / syncytiotrophoblast cell differentiation involved in labyrinthine layer development / death effector domain binding / FasL/ CD95L signaling / TRAIL signaling / CD95 death-inducing signaling complex / Apoptotic execution phase / Activation, myristolyation of BID and translocation to mitochondria / ripoptosome / Defective RIPK1-mediated regulated necrosis / Microbial modulation of RIPK1-mediated regulated necrosis / TRAIL-activated apoptotic signaling pathway / TRIF-mediated programmed cell death / Regulation by c-FLIP / CASP8 activity is inhibited / Dimerization of procaspase-8 / TLR3-mediated TICAM1-dependent programmed cell death / self proteolysis / Caspase activation via Death Receptors in the presence of ligand / positive regulation of macrophage differentiation / response to cobalt ion / NF-kB activation through FADD/RIP-1 pathway mediated by caspase-8 and -10 / CLEC7A/inflammasome pathway / death-inducing signaling complex / negative regulation of necroptotic process / regulation of tumor necrosis factor-mediated signaling pathway / tumor necrosis factor receptor binding / death receptor binding / natural killer cell activation / TNFR1-induced proapoptotic signaling / RIPK1-mediated regulated necrosis / response to anesthetic / execution phase of apoptosis / regulation of innate immune response / Apoptotic cleavage of cellular proteins / pyroptotic inflammatory response / response to tumor necrosis factor / B cell activation / positive regulation of proteolysis / macrophage differentiation / extrinsic apoptotic signaling pathway via death domain receptors / positive regulation of execution phase of apoptosis / Caspase-mediated cleavage of cytoskeletal proteins / extrinsic apoptotic signaling pathway / negative regulation of canonical NF-kappaB signal transduction / cysteine-type peptidase activity / regulation of cytokine production / proteolysis involved in protein catabolic process / T cell activation / protein maturation / positive regulation of interleukin-1 beta production / Regulation of NF-kappa B signaling / apoptotic signaling pathway / Regulation of TNFR1 signaling / cellular response to mechanical stimulus / NOD1/2 Signaling Pathway / protein processing / Regulation of necroptotic cell death / response to estradiol / peptidase activity / positive regulation of neuron apoptotic process / lamellipodium / heart development / cell body / scaffold protein binding / response to ethanol / angiogenesis / response to lipopolysaccharide / mitochondrial outer membrane / cytoskeleton / positive regulation of canonical NF-kappaB signal transduction / positive regulation of cell migration / positive regulation of apoptotic process / cysteine-type endopeptidase activity / apoptotic process / ubiquitin protein ligase binding / protein-containing complex binding / protein-containing complex / mitochondrion / proteolysis / identical protein binding / nucleus / cytoplasm / cytosol
Similarity search - Function
Caspase-8 / Death effector domain / Death effector domain / Death effector domain (DED) profile. / Death effector domain / Rossmann fold - #1460 / Peptidase family C14A, His active site / Caspase family histidine active site. / Peptidase C14, caspase non-catalytic subunit p10 / Peptidase family C14A, cysteine active site ...Caspase-8 / Death effector domain / Death effector domain / Death effector domain (DED) profile. / Death effector domain / Rossmann fold - #1460 / Peptidase family C14A, His active site / Caspase family histidine active site. / Peptidase C14, caspase non-catalytic subunit p10 / Peptidase family C14A, cysteine active site / Caspase family cysteine active site. / Caspase family p10 domain profile. / Peptidase C14A, caspase catalytic domain / Caspase, interleukin-1 beta converting enzyme (ICE) homologues / Peptidase C14, p20 domain / Caspase family p20 domain profile. / : / Caspase domain / Caspase-like domain superfamily / Death-like domain superfamily / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
2,3-DIHYDROXY-1,4-DITHIOBUTANE / Caspase-8
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.731 Å
AuthorsWolan, D.W. / Vickers, C.J. / Gonzalez-Paez, G.E.
CitationJournal: Acs Chem.Biol. / Year: 2014
Title: Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids.
Authors: Vickers, C.J. / Gonzalez-Paez, G.E. / Litwin, K.M. / Umotoy, J.C. / Coutsias, E.A. / Wolan, D.W.
History
DepositionMar 6, 2014Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 21, 2015Provider: repository / Type: Initial release
Revision 1.1Sep 20, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _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_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.2Dec 6, 2023Group: Data collection / Derived calculations / Category: chem_comp_atom / chem_comp_bond / struct_conn
Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2 / _struct_conn.pdbx_leaving_atom_flag

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Caspase-8
B: Caspase-8
C: Caspase-8
D: Caspase-8
E: (BAL)LQ(HYP)(1U8) PEPTIDE
F: (BAL)LQ(HYP)(1U8) PEPTIDE
G: (BAL)LQ(HYP)(1U8) PEPTIDE
H: (BAL)LQ(HYP)(1U8) PEPTIDE
hetero molecules


Theoretical massNumber of molelcules
Total (without water)129,22712
Polymers128,6108
Non-polymers6174
Water15,403855
1
A: Caspase-8
E: (BAL)LQ(HYP)(1U8) PEPTIDE
hetero molecules


Theoretical massNumber of molelcules
Total (without water)32,3073
Polymers32,1522
Non-polymers1541
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Caspase-8
F: (BAL)LQ(HYP)(1U8) PEPTIDE
hetero molecules


Theoretical massNumber of molelcules
Total (without water)32,3073
Polymers32,1522
Non-polymers1541
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Caspase-8
G: (BAL)LQ(HYP)(1U8) PEPTIDE
hetero molecules


Theoretical massNumber of molelcules
Total (without water)32,3073
Polymers32,1522
Non-polymers1541
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: Caspase-8
H: (BAL)LQ(HYP)(1U8) PEPTIDE
hetero molecules


Theoretical massNumber of molelcules
Total (without water)32,3073
Polymers32,1522
Non-polymers1541
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)115.870, 144.603, 86.193
Angle α, β, γ (deg.)90.00, 123.86, 90.00
Int Tables number5
Space group name H-MC121

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Components

#1: Protein
Caspase-8 / CASP-8 / Apoptotic cysteine protease / Apoptotic protease Mch-5 / CAP4 / FADD-homologous ICE/ced-3- ...CASP-8 / Apoptotic cysteine protease / Apoptotic protease Mch-5 / CAP4 / FADD-homologous ICE/ced-3-like protease / FADD-like ICE / FLICE / ICE-like apoptotic protease 5 / MORT1-associated ced-3 homolog / MACH / Caspase-8 subunit p18 / Caspase-8 subunit p10


Mass: 31447.617 Da / Num. of mol.: 4 / Fragment: UNP RESIDUES 217-479
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CASP8, CASP8 MCH5, MCH5 / Plasmid: pet23b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)PLYSS / References: UniProt: Q14790, caspase-8
#2: Protein/peptide
(BAL)LQ(HYP)(1U8) PEPTIDE


Mass: 704.767 Da / Num. of mol.: 4 / Source method: obtained synthetically
#3: Chemical
ChemComp-DTT / 2,3-DIHYDROXY-1,4-DITHIOBUTANE / 1,4-DITHIOTHREITOL


Mass: 154.251 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C4H10O2S2
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 855 / 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: 2.33 Å3/Da / Density % sol: 47.24 %
Crystal growTemperature: 295 K / Method: vapor diffusion, sitting drop / pH: 5.5
Details: 0.1 M Sodium citrate, pH 5.5, 36% PEG600, VAPOR DIFFUSION, SITTING DROP, temperature 295K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL11-1 / Wavelength: 0.97945 Å
DetectorType: PSI PILATUS 6M / Detector: PIXEL / Date: Feb 3, 2014 / Details: mirrors
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97945 Å / Relative weight: 1
ReflectionResolution: 1.73→50 Å / Num. all: 119448 / Num. obs: 119448 / % possible obs: 99 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1

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Processing

Software
NameVersionClassification
HKL-2000data collection
SOLVEphasing
PHENIX(phenix.refine: 1.8.4_1496)refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4JJ7

4jj7


Resolution: 1.731→44.95 Å / SU ML: 0.16 / σ(F): 1.35 / Phase error: 17.72 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.1846 5983 5.01 %
Rwork0.1522 --
obs0.1538 119385 97.77 %
all-119385 -
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 1.731→44.95 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7654 0 32 855 8541
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0157905
X-RAY DIFFRACTIONf_angle_d1.50310693
X-RAY DIFFRACTIONf_dihedral_angle_d13.3562965
X-RAY DIFFRACTIONf_chiral_restr0.081173
X-RAY DIFFRACTIONf_plane_restr0.0091404
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.7311-1.75080.26841650.20463439X-RAY DIFFRACTION90
1.7508-1.77140.24872090.19253784X-RAY DIFFRACTION98
1.7714-1.7930.22382140.1923749X-RAY DIFFRACTION98
1.793-1.81570.25141830.18063715X-RAY DIFFRACTION97
1.8157-1.83960.21572110.18053742X-RAY DIFFRACTION97
1.8396-1.86480.25081970.19223662X-RAY DIFFRACTION95
1.8648-1.89140.25051760.18153742X-RAY DIFFRACTION96
1.8914-1.91970.21931980.18633760X-RAY DIFFRACTION98
1.9197-1.94970.18832000.16653808X-RAY DIFFRACTION99
1.9497-1.98160.19692050.16063813X-RAY DIFFRACTION99
1.9816-2.01580.19192020.15053806X-RAY DIFFRACTION99
2.0158-2.05240.18542020.15513832X-RAY DIFFRACTION99
2.0524-2.09190.20442040.16223762X-RAY DIFFRACTION98
2.0919-2.13460.17312000.14473830X-RAY DIFFRACTION99
2.1346-2.1810.19212030.14253836X-RAY DIFFRACTION99
2.181-2.23180.1912100.1413786X-RAY DIFFRACTION99
2.2318-2.28760.19151650.15243815X-RAY DIFFRACTION98
2.2876-2.34940.17851850.14623759X-RAY DIFFRACTION97
2.3494-2.41860.18842150.14723676X-RAY DIFFRACTION96
2.4186-2.49660.19662170.15143855X-RAY DIFFRACTION99
2.4966-2.58580.19872230.15643793X-RAY DIFFRACTION99
2.5858-2.68940.20151840.15733892X-RAY DIFFRACTION99
2.6894-2.81170.19512050.16083848X-RAY DIFFRACTION100
2.8117-2.95990.20231830.16113858X-RAY DIFFRACTION99
2.9599-3.14540.18311850.15453850X-RAY DIFFRACTION99
3.1454-3.38810.15912170.15793731X-RAY DIFFRACTION97
3.3881-3.72890.17522060.14773762X-RAY DIFFRACTION97
3.7289-4.26820.16552280.12773837X-RAY DIFFRACTION99
4.2682-5.3760.16841870.12543842X-RAY DIFFRACTION98
5.376-44.96470.15742040.16333818X-RAY DIFFRACTION97
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)
16.01760.16080.2043.5397-0.13124.62010.02220.7974-1.204-0.09230.1713-0.01680.46050.064-0.17580.25060.034-0.00970.1956-0.10160.3214-44.6797-1.909-9.2794
21.2979-0.67230.24586.99484.46763.55090.02960.02420.0146-0.07660.2152-0.5668-0.04360.2042-0.3050.1311-0.00830.02710.1973-0.00150.2118-34.975922.8937.5716
30.7531.28210.51034.02451.26141.22720.07810.0253-0.12030.0585-0.0146-0.22310.06990.0851-0.07420.13150.0379-0.02940.18590.00260.2016-36.655715.09668.3404
40.9760.69140.52271.0961-0.10921.0084-0.02630.14190.0386-0.0799-0.0032-0.0586-0.03030.01730.02060.13640.0193-0.00080.1962-0.00150.1853-43.288618.3201-2.1376
53.47850.0979-1.9452.2517-1.11951.8663-0.00840.3029-0.1251-0.2422-0.023-0.06360.20380.08050.08710.17850.0228-0.01640.1612-0.02420.1979-54.201111.5224-6.5806
62.0150.0830.28282.33841.0061.96840.0849-0.1221-0.16610.1822-0.01910.07280.1821-0.1015-0.06540.17810.0015-0.00560.19630.03530.1778-49.49686.622911.0231
72.2380.35650.41451.85071.25195.02720.0933-0.3139-0.0530.16050.0215-0.09760.0084-0.0641-0.06760.1084-0.0073-0.01340.1722-00.1688-53.53679.38657.141
85.95710.8008-2.22524.96170.37937.38310.36350.73231.0427-0.12920.0323-0.0347-0.7418-0.3547-0.4180.23570.070.0330.23780.08330.2972-15.052139.6946-5.3953
91.3109-2.04760.88894.0476-2.84293.179-0.043-0.067-0.1030.01290.22890.30720.1098-0.3209-0.22820.1695-0.01920.00970.24290.02290.2019-19.512314.847813.3226
100.49260.4234-0.40996.2594-1.16212.34570.0179-0.14170.0620.52220.12220.0555-0.1696-0.1133-0.12710.11110.00440.02420.198-0.00420.1682-15.496720.478316.82
111.16270.3208-0.05821.8336-1.11711.4192-0.01250.08330.047-0.03120.17840.24510.0286-0.2636-0.17010.15030.02590.00660.28630.03920.232-22.964320.46723.5013
121.03570.09180.13741.8235-1.42612.2487-0.0370.1241-0.0261-0.12670.11090.05050.121-0.1409-0.07390.1388-0.00380.00550.20710.00150.1678-15.326818.69142.1508
131.67950.12170.4850.9863-0.43662.546-0.0025-0.0324-0.07230.01080.05780.02360.0415-0.117-0.06060.14050.01370.02290.2107-0.00590.1784-8.865721.77792.539
143.74890.36831.72542.76450.45744.365-0.00370.14640.1174-0.12030.0591-0.0103-0.3908-0.0589-0.04940.0932-0.00340.04020.1096-0.0010.1384-3.889626.3357-3.0425
151.9128-1.57820.59094.117-0.94991.66630.0151-0.09560.08810.2151-0.0258-0.2258-0.16370.05020.01940.1724-0.01530.01420.2153-0.02680.1743-7.017229.118614.6999
162.0953-0.39470.26561.8663-1.12333.97020.0122-0.23190.13940.21120.0247-0.0296-0.16850.1235-0.03840.1606-0.01340.02610.2047-0.02520.1866-1.932730.89188.7798
177.8635-0.7273-1.37743.9421-0.61744.14750.08960.6416-0.3282-0.416-0.35710.32280.326-0.51130.22550.2990.017-0.10230.2912-0.11830.296-11.7674-24.38517.2285
181.70450.29541.22891.471.89955.55740.0549-0.11390.01260.0742-0.12770.1295-0.1121-0.29990.10490.1650.00410.01490.1987-0.02570.1952-12.4371-3.718544.508
191.2765-0.3077-0.16732.29380.81671.7430.1240.1235-0.1717-0.0917-0.19190.32110.0534-0.32530.05910.18330.0106-0.04370.2773-0.04250.2845-17.3824-15.750532.1709
201.30620.54610.07062.6571.4031.97290.0613-0.0749-0.07880.1898-0.11910.01590.1642-0.03720.04840.22090.0021-0.00880.1957-0.00590.21-7.6455-14.658440.388
211.57070.6481-0.0312.50270.4821.44290.0499-0.013-0.02680.0457-0.04440.0086-0.0059-0.0319-0.01350.16540.0182-0.01190.17190.00060.1774-1.5315-15.474933.037
221.8455-0.250.38022.22580.15280.78840.05310.1920.0642-0.285-0.0234-0.042-0.1680.0155-0.01510.31330.060.00390.21670.02810.2097-3.7847-5.482921.5492
232.18590.63790.20815.24251.54071.86970.07730.04240.2332-0.1544-0.0388-0.0432-0.2451-0.0615-0.0340.23020.03260.01940.15560.01470.16590.58-9.71126.2444
247.4858-3.57210.72274.9772-0.63273.91060.37031.06160.6115-0.4069-0.3942-0.2332-0.31550.08640.03050.34060.03170.06720.28670.06420.2226-39.788462.401213.8246
250.86510.1615-1.05944.8428-5.64067.61220.0844-0.0918-0.04190.1446-0.3466-0.2731-0.16230.65460.3450.19540.0054-0.02630.22210.01760.2297-30.533644.400437.1872
260.62620.2435-0.62560.3523-0.4319.85040.0872-0.1038-0.20610.0263-0.0989-0.0480.4533-0.1776-0.01010.25750.0164-0.02280.22360.05530.2786-35.966636.766143.1942
271.1791-0.28881.00731.4912-0.39081.25970.12530.26560.0224-0.2974-0.1647-0.22260.02270.39010.02650.23320.05660.05380.2713-0.00410.223-31.59247.085623.2684
281.2174-0.07690.18251.6775-0.70982.37020.0338-0.05190.12580.0989-0.0521-0.1447-0.21010.26720.00130.2312-0.02340.0150.1927-0.01030.2092-34.875855.754534.6914
292.07120.3926-0.03952.3184-0.30921.94480.0932-0.1153-0.0076-0.0064-0.08290.0362-0.02190.1015-0.01080.18860.02470.02620.1702-0.01610.1804-43.609853.700431.7101
301.5532-0.12490.00022.06670.21181.77240.0724-0.00580.0363-0.1191-0.1388-0.0449-0.06480.00910.04650.18550.00170.00890.1813-0.0250.1504-48.625952.639831.0582
311.9739-0.6014-0.46172.53080.10961.47350.08060.2067-0.1598-0.1453-0.0610.22620.1064-0.0901-0.01660.25980.0301-0.01330.1931-0.04580.2028-46.64143.445619.4718
322.60460.3664-0.55765.097-1.67943.28330.08190.0297-0.27760.0534-0.10490.01530.1004-0.0612-0.00370.18110.0304-0.02240.1647-0.0260.1871-50.137646.994125.7661
337.35746.80982.59316.41692.23212.36250.3884-0.9579-0.50811.1057-0.6991-0.9776-0.32490.77030.25220.30310.0119-0.06870.30530.02870.215-44.428218.547921.7563
345.34565.4742-3.82755.6091-3.91772.74620.3513-0.52560.13120.7908-0.35310.36650.354-0.43950.02590.3478-0.06410.01080.33870.04580.234-6.917219.071124.6228
353.5553.29560.40977.3704-0.39023.94370.61730.17650.73280.74280.02820.4318-1.2805-0.5636-0.65770.38440.07970.01630.2321-0.04830.3491-4.80666.02736.838
362.39991.83391.84859.5664-1.00012.13760.58710.3474-0.88260.47410.2319-0.59010.86610.1978-0.78950.41620.06460.00680.25290.02190.3139-42.071331.571733.8986
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 222 through 234 )
2X-RAY DIFFRACTION2chain 'A' and (resid 235 through 250 )
3X-RAY DIFFRACTION3chain 'A' and (resid 251 through 288 )
4X-RAY DIFFRACTION4chain 'A' and (resid 289 through 368 )
5X-RAY DIFFRACTION5chain 'A' and (resid 369 through 403 )
6X-RAY DIFFRACTION6chain 'A' and (resid 404 through 452 )
7X-RAY DIFFRACTION7chain 'A' and (resid 453 through 477 )
8X-RAY DIFFRACTION8chain 'B' and (resid 222 through 234 )
9X-RAY DIFFRACTION9chain 'B' and (resid 235 through 250 )
10X-RAY DIFFRACTION10chain 'B' and (resid 251 through 276 )
11X-RAY DIFFRACTION11chain 'B' and (resid 277 through 301 )
12X-RAY DIFFRACTION12chain 'B' and (resid 302 through 340 )
13X-RAY DIFFRACTION13chain 'B' and (resid 341 through 368 )
14X-RAY DIFFRACTION14chain 'B' and (resid 369 through 403 )
15X-RAY DIFFRACTION15chain 'B' and (resid 404 through 435 )
16X-RAY DIFFRACTION16chain 'B' and (resid 436 through 477 )
17X-RAY DIFFRACTION17chain 'C' and (resid 223 through 234 )
18X-RAY DIFFRACTION18chain 'C' and (resid 235 through 262 )
19X-RAY DIFFRACTION19chain 'C' and (resid 263 through 308 )
20X-RAY DIFFRACTION20chain 'C' and (resid 309 through 340 )
21X-RAY DIFFRACTION21chain 'C' and (resid 341 through 413 )
22X-RAY DIFFRACTION22chain 'C' and (resid 414 through 452 )
23X-RAY DIFFRACTION23chain 'C' and (resid 453 through 478 )
24X-RAY DIFFRACTION24chain 'D' and (resid 223 through 234 )
25X-RAY DIFFRACTION25chain 'D' and (resid 235 through 250 )
26X-RAY DIFFRACTION26chain 'D' and (resid 251 through 262 )
27X-RAY DIFFRACTION27chain 'D' and (resid 263 through 288 )
28X-RAY DIFFRACTION28chain 'D' and (resid 289 through 340 )
29X-RAY DIFFRACTION29chain 'D' and (resid 341 through 368 )
30X-RAY DIFFRACTION30chain 'D' and (resid 369 through 413 )
31X-RAY DIFFRACTION31chain 'D' and (resid 414 through 452 )
32X-RAY DIFFRACTION32chain 'D' and (resid 453 through 477 )
33X-RAY DIFFRACTION33chain 'E' and (resid 402 through 403 )
34X-RAY DIFFRACTION34chain 'F' and (resid 402 through 403 )
35X-RAY DIFFRACTION35chain 'G' and (resid 402 through 403 )
36X-RAY DIFFRACTION36chain 'H' and (resid 402 through 403 )

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