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- PDB-8d4s: Crystal Structure of Cathepsin G Inhibited by Eap1 from S. aureus -

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Basic information

Entry
Database: PDB / ID: 8d4s
TitleCrystal Structure of Cathepsin G Inhibited by Eap1 from S. aureus
Components
  • Cathepsin G, C-terminal truncated form
  • Extracellular Adherence Protein
KeywordsPROTEIN BINDING / Protease Inhibitor / Immune Evasion / Neutrophil / S. aureus
Function / homology
Function and homology information


cathepsin G / biofilm matrix disassembly / neutrophil-mediated killing of gram-positive bacterium / purinergic nucleotide receptor signaling pathway / caspase binding / negative regulation of T cell activation / neutrophil activation / Suppression of apoptosis / Interleukin-1 processing / positive regulation of platelet aggregation ...cathepsin G / biofilm matrix disassembly / neutrophil-mediated killing of gram-positive bacterium / purinergic nucleotide receptor signaling pathway / caspase binding / negative regulation of T cell activation / neutrophil activation / Suppression of apoptosis / Interleukin-1 processing / positive regulation of platelet aggregation / Antimicrobial peptides / Activation of Matrix Metalloproteinases / monocyte chemotaxis / extracellular matrix disassembly / defense response to fungus / Purinergic signaling in leishmaniasis infection / Metabolism of Angiotensinogen to Angiotensins / angiotensin maturation / Degradation of the extracellular matrix / serine-type peptidase activity / secretory granule / protein maturation / positive regulation of immune response / protein processing / platelet activation / Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) / cytokine-mediated signaling pathway / cytoplasmic stress granule / azurophil granule lumen / antibacterial humoral response / peptidase activity / heparin binding / : / cellular response to lipopolysaccharide / defense response to Gram-negative bacterium / protein phosphorylation / lysosome / defense response to Gram-positive bacterium / immune response / receptor ligand activity / serine-type endopeptidase activity / Neutrophil degranulation / proteolysis / extracellular space / extracellular exosome / extracellular region / nucleus / membrane / plasma membrane / cytosol
Similarity search - Function
MAP domain / MAP domain / MAP repeat profile. / Serine proteases, trypsin family, histidine active site / Serine proteases, trypsin family, serine active site / Serine proteases, trypsin family, histidine active site. / Peptidase S1A, chymotrypsin family / Serine proteases, trypsin family, serine active site. / Serine proteases, trypsin domain profile. / Trypsin-like serine protease ...MAP domain / MAP domain / MAP repeat profile. / Serine proteases, trypsin family, histidine active site / Serine proteases, trypsin family, serine active site / Serine proteases, trypsin family, histidine active site. / Peptidase S1A, chymotrypsin family / Serine proteases, trypsin family, serine active site. / Serine proteases, trypsin domain profile. / Trypsin-like serine protease / Serine proteases, trypsin domain / Trypsin / Peptidase S1, PA clan, chymotrypsin-like fold / Peptidase S1, PA clan
Similarity search - Domain/homology
Cathepsin G / Protein map
Similarity search - Component
Biological speciesStaphylococcus aureus subsp. aureus Mu50 (bacteria)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.95 Å
AuthorsGido, C.D. / Herdendorf, T.J. / Geisbrecht, B.V.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)5R35GM140852 United States
CitationJournal: J.Biol.Chem. / Year: 2023
Title: Characterization of two distinct neutrophil serine protease-binding modes within a Staphylococcus aureus innate immune evasion protein family.
Authors: Gido, C.D. / Herdendorf, T.J. / Geisbrecht, B.V.
History
DepositionJun 2, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 21, 2022Provider: repository / Type: Initial release
Revision 1.1Jul 5, 2023Group: Database references / Category: citation
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _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 1.2Oct 25, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.3Nov 13, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Cathepsin G, C-terminal truncated form
C: Cathepsin G, C-terminal truncated form
E: Cathepsin G, C-terminal truncated form
G: Cathepsin G, C-terminal truncated form
F: Extracellular Adherence Protein
B: Extracellular Adherence Protein
H: Extracellular Adherence Protein
D: Extracellular Adherence Protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)147,21612
Polymers146,3318
Non-polymers8854
Water9,368520
1
A: Cathepsin G, C-terminal truncated form
B: Extracellular Adherence Protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)36,8043
Polymers36,5832
Non-polymers2211
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2410 Å2
ΔGint-3 kcal/mol
Surface area14890 Å2
MethodPISA
2
C: Cathepsin G, C-terminal truncated form
D: Extracellular Adherence Protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)36,8043
Polymers36,5832
Non-polymers2211
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2440 Å2
ΔGint-0 kcal/mol
Surface area14840 Å2
MethodPISA
3
E: Cathepsin G, C-terminal truncated form
F: Extracellular Adherence Protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)36,8043
Polymers36,5832
Non-polymers2211
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2430 Å2
ΔGint-4 kcal/mol
Surface area15060 Å2
MethodPISA
4
G: Cathepsin G, C-terminal truncated form
H: Extracellular Adherence Protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)36,8043
Polymers36,5832
Non-polymers2211
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2440 Å2
ΔGint-4 kcal/mol
Surface area14890 Å2
MethodPISA
Unit cell
Length a, b, c (Å)158.189, 165.650, 321.934
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number22
Space group name H-MF222

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Components

#1: Protein
Cathepsin G, C-terminal truncated form


Mass: 25397.131 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) Homo sapiens (human) / Plasmid details: Purified from human sputum / Tissue: Neutrophil / References: UniProt: P08311
#2: Protein
Extracellular Adherence Protein / Protein map


Mass: 11185.606 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Staphylococcus aureus subsp. aureus Mu50 (bacteria)
Strain: Mu50 / ATCC 700699 / Gene: map, SAV1938 / Plasmid: pT7HMT / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q99QS1
#3: Sugar
ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 520 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN
Has protein modificationY

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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: 3.6 Å3/Da / Density % sol: 65.86 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5.5
Details: 0.1M BisTris (pH 5.5), 0.2M Magnesium Chloride, 25% (w/v) PEG-3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Nov 4, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 1.95→50 Å / Num. obs: 152193 / % possible obs: 99.9 % / Redundancy: 6.9 % / Rmerge(I) obs: 0.232 / Rpim(I) all: 0.093 / Rrim(I) all: 0.251 / Χ2: 1.016 / Net I/σ(I): 9.1 / Num. measured all: 1054098
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) allΧ2% possible all
1.95-2.024.91.642150900.4660.8071.8350.93299.9
2.02-2.15.31.488150620.5380.6891.6451.06199.8
2.1-2.27.31.424151600.7710.5641.5331.047100
2.2-2.317.71.074151450.8690.4141.1521.06100
2.31-2.467.60.73151700.9090.2830.7831.007100
2.46-2.657.40.487151810.9360.1920.5241.02100
2.65-2.9170.299151980.9650.1210.3231.003100
2.91-3.337.30.169152630.9760.0660.1820.977100
3.33-4.27.80.145153280.9820.0560.1550.992100
4.2-507.10.231155960.9620.0930.2491.04799.8

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
PHENIX1.9.2refinement
PDB_EXTRACT3.27data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1CGH, 8D4O

1cgh

8d4o


Resolution: 1.95→40.52 Å / SU ML: 0.19 / Cross valid method: THROUGHOUT / σ(F): 0 / Phase error: 28.79 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2608 1903 1.31 %
Rwork0.2097 143205 -
obs0.2103 145108 95.29 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 145.87 Å2 / Biso mean: 52.3778 Å2 / Biso min: 23.33 Å2
Refinement stepCycle: final / Resolution: 1.95→40.52 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10108 0 56 520 10684
Biso mean--85.76 51.56 -
Num. residues----1268
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 14

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
1.95-20.35481140.28949005911985
2-2.050.29531230.26929376949988
2.05-2.110.28391350.25069503963889
2.11-2.180.32331270.2499591008693
2.18-2.260.24481330.2316100571019094
2.26-2.350.2631390.2149102991043896
2.35-2.460.23311320.21103071043997
2.46-2.590.25871390.2093104631060298
2.59-2.750.24351420.2201105061064898
2.75-2.960.27671380.2214106361077499
2.96-3.260.26591390.2178107131085299
3.26-3.730.24811500.19541071610866100
3.73-4.70.25021430.17751079610939100
4.7-40.520.26261490.2156108691101898
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)
10.9477-0.3117-0.37423.0796-0.86423.65040.27420.0150.2170.46620.00010.4035-0.1178-0.1673-0.25040.3266-0.04520.03040.35090.02370.31315.199133.265829.0191
23.3394-0.224-0.29566.02071.45623.81670.0506-0.2162-0.10980.48930.0342-0.26670.42350.0664-0.00690.3289-0.0481-0.02150.37860.04710.243223.409128.215424.6281
32.9441-0.4518-0.77884.3186-1.24513.3332-0.0108-0.3409-0.27540.55530.0711-0.0280.00910.2103-0.06950.2968-0.0572-0.0620.3540.01110.267424.068229.255231.2436
42.7919-0.89520.80712.01510.37124.1666-0.18940.09210.1838-0.99150.1580.1249-0.43080.55520.07990.3824-0.1220.08490.5069-0.00070.388230.263238.522912.4824
51.5853-0.84690.06351.7794-0.9713.1828-0.144-0.0997-0.4543-0.09880.02740.10990.73070.04390.11270.4649-0.016-0.01710.37110.01630.385820.252620.324626.0763
63.4183-1.90610.22573.373-0.60822.61260.23281.2086-0.414-0.9366-0.49860.11120.6025-0.4870.07510.61630.0567-0.0740.635-0.03740.608310.761831.29179.912
73.2849-1.0490.32542.0377-0.85863.5305-0.3196-0.61390.41010.6790.6382-0.4082-0.5814-0.0285-0.3620.43930.0160.0590.48760.01220.516412.832743.167232.2811
82.98420.0263-0.01632.0106-0.25313.8282-0.04240.83120.3791-0.59240.14330.1291-0.3191-0.5434-0.09940.42360.0143-0.0340.48830.05340.3619.376341.929811.9666
91.3172.5365-0.10275.80932.41857.2191-0.04240.05620.3798-0.36120.31420.373-0.96290.5859-0.15440.6499-0.1187-0.00970.39190.04340.322120.357343.86055.8456
102.1223-0.47010.77580.0518-0.21622.20290.0894-0.09580.541-0.11090.15640.2679-0.6833-0.7173-0.27880.45840.0485-0.02410.46780.11360.452311.58543.948517.5343
111.8148-1.5423-1.05753.6424-0.02993.27650.0793-0.0553-0.0811-0.2538-0.12090.9546-0.0865-0.2869-0.02930.348-0.0279-0.0530.41540.01480.343914.299837.933516.3438
123.4617-1.18570.4162.9032-0.10613.14650.01160.0264-0.3021-0.0420.15810.20630.41870.2909-0.18680.4058-0.06-0.01340.445-0.02360.331423.292428.230611.4544
130.21210.85320.15124.40250.52740.14-0.04790.0355-0.0457-0.6970.3165-0.8892-0.07840.5763-0.26150.396-0.02440.09790.4804-0.03710.428532.138373.94252.9888
143.1224-0.0362-1.28113.48450.41443.41750.01740.22110.4682-0.3940.00930.2815-0.4419-0.2273-0.0040.2993-0.0034-0.06020.38560.07040.314514.891874.7352.8234
153.35860.859-0.66893.62671.40563.15360.09390.2157-0.1504-0.75340.12840.04970.046-0.1243-0.20950.4012-0.0336-0.06960.31140.04520.324317.644670.886250.3198
162.66270.3968-0.50492.23630.78714.1853-0.01670.076-0.1364-0.00310.06020.24090.3612-0.4722-0.00150.2629-0.0498-0.04990.33150.11890.300414.269868.765159.1015
172.44531.88610.54062.82971.04332.22010.1708-0.7734-0.54060.7449-0.1066-0.53770.76220.0734-0.14370.435-0.0161-0.05370.69190.10290.47129.146573.300171.1975
184.7514-0.184-0.2039.65251.12525.7751-0.09080.37560.6182-1.29670.4920.5521-0.9745-0.0157-0.18980.5432-0.0523-0.02080.5590.06160.470126.34385.076348.7377
191.74460.2082-1.04030.6799-0.41074.04020.1124-0.4780.37740.2190.13870.052-0.49240.3744-0.2040.3445-0.03020.04620.4489-0.02240.314425.509384.55971.6001
202.88751.15280.88731.3484-0.18072.6615-0.10230.00160.3005-0.02330.2964-0.2775-0.75470.7178-0.1430.3611-0.07250.00720.4803-0.02740.35527.69885.795163.4958
212.22170.5988-1.18842.92840.48272.83730.08310.12890.1514-0.16340.0509-0.67960.02820.2203-0.15430.23920.0038-0.0190.42910.03230.328125.245579.793264.7934
223.59320.37010.14593.41260.40753.6384-0.1136-0.2424-0.56650.14340.16490.12250.6255-0.2339-0.05650.34790.00830.00160.43910.09040.356716.494669.842269.7816
231.6184-1.04060.66514.26040.52271.362-0.046-0.10350.02080.02230.0568-1.0059-0.44560.6386-0.09730.4372-0.0138-0.06020.4424-0.04110.4561-6.247650.786827.4907
243.66030.9136-0.13914.894-1.79263.21570.1663-0.5034-0.12410.2756-0.14140.4147-0.14960.1317-0.17140.49270.02570.04010.3072-0.02870.3321-23.542350.318627.776
252.69-0.47021.03433.74250.32244.34710.0955-0.16960.03890.22970.02330.1144-0.264-0.15-0.06980.31480.0410.03360.2165-0.01410.236-24.322454.26125.2603
261.89470.39940.9142.55592.04022.065-0.5839-0.12821.0222-0.27510.0843-0.2026-1.18840.75490.54540.5633-0.038-0.01930.3254-0.06770.4495-12.020363.903525.538
272.9845-1.10850.1542.81011.21881.89290.31881.16830.5424-0.5974-0.4492-0.0575-0.98320.5090.05140.52810.1119-0.00130.55410.12780.5297-9.386152.37889.4465
282.99010.675-0.00042.97730.84013.1161-0.0277-0.3599-0.32980.3029-0.0776-0.26640.37540.33260.09950.4220.0891-0.02130.3736-0.0170.4332-9.253141.568624.6193
292.16561.46860.95995.5552-2.39125.93490.01450.3523-0.31140.10890.1305-0.34480.99230.5853-0.15160.59550.1401-0.04480.4566-0.04770.3848-17.51539.21514.5743
302.1941-1.3847-0.45710.972-0.21381.5040.12620.0747-0.2486-0.1997-0.1024-0.29880.51840.2137-0.06010.50140.0952-0.01480.4034-0.06110.4298-10.826939.349416.8167
312.2366-1.24130.9162.0122-0.42552.57290.17810.0413-0.0687-0.0524-0.0614-0.5779-0.04770.0792-0.14030.45710.08540.00860.328-0.00150.3625-13.228845.50515.6713
322.96830.0734-0.33762.77341.70283.0627-0.04170.14830.4632-0.2140.0474-0.2866-0.4821-0.18570.0260.53740.096-0.02220.38530.03260.3073-22.032255.831811.1086
333.5671-0.2220.78893.6492-0.54512.34470.230.17670.0588-0.2684-0.1621-0.1399-0.05160.0627-0.04840.2478-0.00780.03350.24260.00310.2053-20.000310.713753.0631
343.59020.01820.33462.7686-1.13.1276-0.07160.3810.1576-0.47650.24850.3608-0.25080.0271-0.17210.3702-0.01230.04070.27420.04010.4115-19.212814.566646.7678
352.69142.2489-0.01369.49131.12345.29220.1226-0.30630.00470.5524-0.3190.10750.1790.19570.17720.2513-0.0433-0.00090.3714-0.01740.331-10.26634.380867.8674
361.5250.7569-0.06572.175-0.47823.0225-0.2077-0.05750.6936-0.0713-0.00450.1714-0.7198-0.23550.13260.38190.01620.07640.28230.00820.4736-20.664921.901653.7058
372.36060.96910.58682.1776-0.6163.5301-0.1077-1.06510.57740.6573-0.37640.3563-0.3246-0.32040.3970.4382-0.0550.07060.7578-0.15540.5409-29.827811.347570.4938
382.8829-0.18970.02372.0292-1.22774.7061-0.01430.1346-0.2301-0.21760.03840.30610.4377-0.34260.03920.3144-0.0694-0.00820.39650.00570.4478-30.50360.620455.494
393.7515-0.56030.70756.06592.38955.3813-0.1699-0.5053-0.2740.40270.22820.64420.548-0.6188-0.14740.3625-0.07440.06250.44950.02610.3712-21.8328-1.788875.578
403.39240.32070.62060.61980.09622.9532-0.015-0.15050.12510.0740.00750.3204-0.0548-0.2674-0.01090.2602-0.01910.0420.3116-0.01770.2781-24.10036.026465.4025
411.3922-0.30880.53823.6721-2.35353.5698-0.0904-0.1519-0.09280.17570.43070.9375-0.2688-0.5501-0.29830.40280.0430.01720.34430.07140.497-30.942833.524829.2447
426.2913.8493-5.14978.0317-2.29994.3540.90541.39430.50940.31060.46571.16931.5436-1.25420.23660.9747-0.1828-0.52610.8620.12720.9578-37.88728.810214.4243
434.08810.71833.53552.087-0.27939.3279-0.00720.309-0.3666-0.60120.37170.74930.96080.1919-0.34880.5078-0.0166-0.10260.29630.08030.5556-26.680722.151128.5676
441.7996-0.23940.72242.59390.41436.1980.29110.1112-0.74310.07751.07241.32832.0431-1.4861-1.17760.6216-0.15070.05150.5710.19261.0171-34.786621.313131.0779
454.94180.07230.41583.2581-0.84226.5225-0.0864-0.0105-0.629-0.17750.10080.06170.38160.42620.1440.46040.064-0.04370.20590.0210.4086-26.631327.851729.3206
461.0434-0.28980.48953.78340.94012.4577-0.1060.04070.05270.01240.4743-0.8963-0.08160.7234-0.24630.3716-0.12840.00490.4879-0.10520.500531.213150.220530.7109
474.9342-1.8766-0.63294.0793.98974.2659-0.25730.1361-0.48141.0783-0.1233-0.62141.22410.75290.52310.8381-0.43530.44170.8642-0.39151.060539.242154.602617.0221
483.5372-0.8126-2.92041.70881.16678.8097-0.06050.3720.89-1.04190.8936-0.4355-0.87340.7719-0.67130.856-0.2650.02850.5449-0.08420.551228.46961.690727.9035
493.136-0.89090.39782.16691.2547.2676-0.4984-0.09920.3068-0.3633-0.07090.1536-1.24930.18990.67780.5608-0.0942-0.03350.3139-0.02590.500427.764556.792532.977
500.62621.08651.17933.35850.33713.675-0.08740.2869-0.1727-0.44560.3025-0.55430.07510.58-0.17270.2595-0.02030.06760.3341-0.06920.3544-9.2996-7.816550.1638
512.44620.06412.06883.23110.03244.89740.2543-0.086-0.41170.30050.1285-0.67370.78520.2573-0.25420.32960.0397-0.02360.3656-0.05880.4212-8.5351-17.05856.0872
523.06160.48560.72662.55541.30617.5266-0.21310.28-0.3521-0.523-0.0261-0.14530.4059-0.32910.31960.4058-0.06040.07690.2447-0.05810.3941-12.5001-14.595248.0579
532.00950.0457-0.44153.626-1.03332.0608-0.05520.1143-0.1739-0.14580.51720.26850.3743-0.149-0.35330.3718-0.0289-0.01570.39410.10170.345313.14889.120453.9173
541.0461-1.25472.99161.5239-3.64348.77360.12540.48560.7191-1.13510.44090.71590.3998-0.0806-0.40380.6575-0.1687-0.26010.54180.24110.67247.420690.806941.2075
551.4604-0.54790.42631.8926-1.75384.0734-0.0899-0.2071-0.68240.01550.99250.98950.0568-1.2773-0.81190.36610.03960.0350.58940.27040.83123.15793.845451.9794
561.17791.53412.86946.95872.73587.29730.067-1.3440.34020.48460.10191.6741-0.5557-1.7575-0.03270.76510.31580.38840.94940.31550.96191.00896.836865.24
575.5438-1.3764-5.2261.84971.72447.6344-0.6062-0.57040.31130.61530.70220.29940.12130.4863-0.12260.5690.07460.030.4280.15180.494311.3281101.169653.7401
582.97880.0902-2.74431.15420.0025.72020.5153-0.12260.6113-0.21590.10030.3043-1.2526-0.3009-0.58560.57-0.00280.10090.46420.06090.4810.1601104.528750.7752
593.81310.5408-0.33932.8975-1.44718.6574-0.23620.11410.4627-0.0956-0.14990.46110.080.12010.42810.4905-0.0473-0.06520.33470.04970.427710.952898.168748.1979
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 16 through 39 )A16 - 39
2X-RAY DIFFRACTION2chain 'A' and (resid 40 through 56 )A40 - 56
3X-RAY DIFFRACTION3chain 'A' and (resid 57 through 91 )A57 - 91
4X-RAY DIFFRACTION4chain 'A' and (resid 92 through 104 )A92 - 104
5X-RAY DIFFRACTION5chain 'A' and (resid 105 through 124 )A105 - 124
6X-RAY DIFFRACTION6chain 'A' and (resid 125 through 141 )A125 - 141
7X-RAY DIFFRACTION7chain 'A' and (resid 142 through 154 )A142 - 154
8X-RAY DIFFRACTION8chain 'A' and (resid 155 through 168 )A155 - 168
9X-RAY DIFFRACTION9chain 'A' and (resid 169 through 178 )A169 - 178
10X-RAY DIFFRACTION10chain 'A' and (resid 179 through 197 )A179 - 197
11X-RAY DIFFRACTION11chain 'A' and (resid 198 through 220 )A198 - 220
12X-RAY DIFFRACTION12chain 'A' and (resid 221 through 238 )A221 - 238
13X-RAY DIFFRACTION13chain 'C' and (resid 16 through 29 )C16 - 29
14X-RAY DIFFRACTION14chain 'C' and (resid 30 through 50 )C30 - 50
15X-RAY DIFFRACTION15chain 'C' and (resid 51 through 81 )C51 - 81
16X-RAY DIFFRACTION16chain 'C' and (resid 82 through 124 )C82 - 124
17X-RAY DIFFRACTION17chain 'C' and (resid 125 through 141 )C125 - 141
18X-RAY DIFFRACTION18chain 'C' and (resid 142 through 154 )C142 - 154
19X-RAY DIFFRACTION19chain 'C' and (resid 155 through 178 )C155 - 178
20X-RAY DIFFRACTION20chain 'C' and (resid 179 through 197 )C179 - 197
21X-RAY DIFFRACTION21chain 'C' and (resid 198 through 220 )C198 - 220
22X-RAY DIFFRACTION22chain 'C' and (resid 221 through 238 )C221 - 238
23X-RAY DIFFRACTION23chain 'E' and (resid 16 through 29 )E16 - 29
24X-RAY DIFFRACTION24chain 'E' and (resid 30 through 50 )E30 - 50
25X-RAY DIFFRACTION25chain 'E' and (resid 51 through 114 )E51 - 114
26X-RAY DIFFRACTION26chain 'E' and (resid 115 through 124 )E115 - 124
27X-RAY DIFFRACTION27chain 'E' and (resid 125 through 141 )E125 - 141
28X-RAY DIFFRACTION28chain 'E' and (resid 142 through 163 )E142 - 163
29X-RAY DIFFRACTION29chain 'E' and (resid 164 through 178 )E164 - 178
30X-RAY DIFFRACTION30chain 'E' and (resid 179 through 197 )E179 - 197
31X-RAY DIFFRACTION31chain 'E' and (resid 198 through 220 )E198 - 220
32X-RAY DIFFRACTION32chain 'E' and (resid 221 through 238 )E221 - 238
33X-RAY DIFFRACTION33chain 'G' and (resid 16 through 69 )G16 - 69
34X-RAY DIFFRACTION34chain 'G' and (resid 70 through 91 )G70 - 91
35X-RAY DIFFRACTION35chain 'G' and (resid 92 through 104 )G92 - 104
36X-RAY DIFFRACTION36chain 'G' and (resid 105 through 124 )G105 - 124
37X-RAY DIFFRACTION37chain 'G' and (resid 125 through 141 )G125 - 141
38X-RAY DIFFRACTION38chain 'G' and (resid 142 through 163 )G142 - 163
39X-RAY DIFFRACTION39chain 'G' and (resid 164 through 178 )G164 - 178
40X-RAY DIFFRACTION40chain 'G' and (resid 179 through 238 )G179 - 238
41X-RAY DIFFRACTION41chain 'F' and (resid 47 through 93 )F47 - 93
42X-RAY DIFFRACTION42chain 'F' and (resid 94 through 104 )F94 - 104
43X-RAY DIFFRACTION43chain 'F' and (resid 105 through 121 )F105 - 121
44X-RAY DIFFRACTION44chain 'F' and (resid 122 through 133 )F122 - 133
45X-RAY DIFFRACTION45chain 'F' and (resid 134 through 145 )F134 - 145
46X-RAY DIFFRACTION46chain 'B' and (resid 47 through 93 )B47 - 93
47X-RAY DIFFRACTION47chain 'B' and (resid 94 through 102 )B94 - 102
48X-RAY DIFFRACTION48chain 'B' and (resid 103 through 130 )B103 - 130
49X-RAY DIFFRACTION49chain 'B' and (resid 131 through 145 )B131 - 145
50X-RAY DIFFRACTION50chain 'H' and (resid 47 through 93 )H47 - 93
51X-RAY DIFFRACTION51chain 'H' and (resid 94 through 130 )H94 - 130
52X-RAY DIFFRACTION52chain 'H' and (resid 131 through 145 )H131 - 145
53X-RAY DIFFRACTION53chain 'D' and (resid 47 through 65 )D47 - 65
54X-RAY DIFFRACTION54chain 'D' and (resid 66 through 74 )D66 - 74
55X-RAY DIFFRACTION55chain 'D' and (resid 75 through 93 )D75 - 93
56X-RAY DIFFRACTION56chain 'D' and (resid 94 through 104 )D94 - 104
57X-RAY DIFFRACTION57chain 'D' and (resid 105 through 112 )D105 - 112
58X-RAY DIFFRACTION58chain 'D' and (resid 113 through 130 )D113 - 130
59X-RAY DIFFRACTION59chain 'D' and (resid 131 through 145 )D131 - 145

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