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- PDB-6x3m: Crystal structure of full-length Streptococcal bacteriophage hyal... -

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Basic information

Entry
Database: PDB / ID: 6x3m
TitleCrystal structure of full-length Streptococcal bacteriophage hyaluronidase in complex with unsaturated hyaluronan octa-saccharides
ComponentsHyaluronoglucosaminidase
KeywordsLYASE / HylP / Hyaluronidase / S. pyogenes phage H4489A / Beta-elimination / unsaturated Hyaluronan Octa-saccharides
Function / homology
Function and homology information


hyaluronoglucosaminidase / symbiont entry into host cell via disruption of host cell glycocalyx / hyalurononglucosaminidase activity / capsule polysaccharide biosynthetic process / symbiont entry into host cell via disruption of host cell envelope / virion component
Similarity search - Function
Hyaluronidase, bacterial / Hyaluronidase protein (HylP) / Major tropism determinant, N-terminal domain / Major tropism determinant N-terminal domain
Similarity search - Domain/homology
Hyaluronoglucosaminidase
Similarity search - Component
Biological speciesStreptococcus pyogenes phage H4489A (virus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.581 Å
AuthorsDeivanayagam, C. / Schormann, N.
CitationJournal: To Be Published
Title: Crystal Structure of Streptococcal Bacteriophage Hyaluronidase: Presence of a Prokaryotic Collagen and Elucidation of Catalytic Mechanism
Authors: Lee, J.H. / Schormann, N. / Rajashankar, K.R. / Deivanaygam, C.
History
DepositionMay 21, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 9, 2021Provider: repository / Type: Initial release
Revision 1.1Oct 18, 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: Hyaluronoglucosaminidase
B: Hyaluronoglucosaminidase
C: Hyaluronoglucosaminidase
D: Hyaluronoglucosaminidase
E: Hyaluronoglucosaminidase
F: Hyaluronoglucosaminidase
G: Hyaluronoglucosaminidase
H: Hyaluronoglucosaminidase
I: Hyaluronoglucosaminidase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)386,28527
Polymers365,8029
Non-polymers20,48318
Water00
1
A: Hyaluronoglucosaminidase
B: Hyaluronoglucosaminidase
C: Hyaluronoglucosaminidase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)128,7629
Polymers121,9343
Non-polymers6,8286
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area75080 Å2
ΔGint-175 kcal/mol
Surface area45780 Å2
MethodPISA
2
D: Hyaluronoglucosaminidase
E: Hyaluronoglucosaminidase
F: Hyaluronoglucosaminidase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)128,7629
Polymers121,9343
Non-polymers6,8286
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area74740 Å2
ΔGint-170 kcal/mol
Surface area46110 Å2
MethodPISA
3
G: Hyaluronoglucosaminidase
H: Hyaluronoglucosaminidase
I: Hyaluronoglucosaminidase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)128,7629
Polymers121,9343
Non-polymers6,8286
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area75950 Å2
ΔGint-160 kcal/mol
Surface area45340 Å2
MethodPISA
Unit cell
Length a, b, c (Å)338.168, 56.797, 276.954
Angle α, β, γ (deg.)90.000, 126.680, 90.000
Int Tables number5
Space group name H-MC121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 8 through 234 or resid 236...
21(chain B and (resid 8 through 234 or resid 236...
31(chain C and (resid 8 through 234 or resid 236...
41(chain D and (resid 8 through 234 or resid 236 through 346 or resid 348 through 356))
51(chain E and (resid 8 through 234 or resid 236 through 351 or resid 353 through 356))
61(chain F and (resid 8 through 234 or resid 236...
71(chain G and (resid 8 through 234 or resid 236...
81(chain H and (resid 8 through 346 or resid 348 through 351 or resid 353 through 356))
91(chain I and (resid 8 through 234 or resid 236...

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ARGARGLEULEU(chain A and (resid 8 through 234 or resid 236...AA8 - 2348 - 234
12ILEILETHRTHR(chain A and (resid 8 through 234 or resid 236...AA236 - 346236 - 346
13GLYGLYGLYGLY(chain A and (resid 8 through 234 or resid 236...AA348348
21ARGARGLEULEU(chain B and (resid 8 through 234 or resid 236...BB8 - 2348 - 234
22ILEILETHRTHR(chain B and (resid 8 through 234 or resid 236...BB236 - 346236 - 346
23PROPROLEULEU(chain B and (resid 8 through 234 or resid 236...BB6 - 3676 - 367
31ARGARGLEULEU(chain C and (resid 8 through 234 or resid 236...CC8 - 2348 - 234
32ILEILETHRTHR(chain C and (resid 8 through 234 or resid 236...CC236 - 346236 - 346
33GLYGLYGLYGLY(chain C and (resid 8 through 234 or resid 236...CC348348
41ARGARGLEULEU(chain D and (resid 8 through 234 or resid 236 through 346 or resid 348 through 356))DD8 - 2348 - 234
42ILEILETHRTHR(chain D and (resid 8 through 234 or resid 236 through 346 or resid 348 through 356))DD236 - 346236 - 346
43GLYGLYTYRTYR(chain D and (resid 8 through 234 or resid 236 through 346 or resid 348 through 356))DD348 - 356348 - 356
51ARGARGLEULEU(chain E and (resid 8 through 234 or resid 236 through 351 or resid 353 through 356))EE8 - 2348 - 234
52ILEILEALAALA(chain E and (resid 8 through 234 or resid 236 through 351 or resid 353 through 356))EE236 - 351236 - 351
53THRTHRTYRTYR(chain E and (resid 8 through 234 or resid 236 through 351 or resid 353 through 356))EE353 - 356353 - 356
61ARGARGLEULEU(chain F and (resid 8 through 234 or resid 236...FF8 - 2348 - 234
62ILEILETHRTHR(chain F and (resid 8 through 234 or resid 236...FF236 - 346236 - 346
63GLYGLYALAALA(chain F and (resid 8 through 234 or resid 236...FF348 - 351348 - 351
64THRTHRTYRTYR(chain F and (resid 8 through 234 or resid 236...FF353 - 356353 - 356
71ARGARGLEULEU(chain G and (resid 8 through 234 or resid 236...GG8 - 2348 - 234
72ILEILETHRTHR(chain G and (resid 8 through 234 or resid 236...GG236 - 346236 - 346
73GLYGLYGLYGLY(chain G and (resid 8 through 234 or resid 236...GG348348
81ARGARGTHRTHR(chain H and (resid 8 through 346 or resid 348 through 351 or resid 353 through 356))HH8 - 3468 - 346
82GLYGLYALAALA(chain H and (resid 8 through 346 or resid 348 through 351 or resid 353 through 356))HH348 - 351348 - 351
83THRTHRTYRTYR(chain H and (resid 8 through 346 or resid 348 through 351 or resid 353 through 356))HH353 - 356353 - 356
91ARGARGLEULEU(chain I and (resid 8 through 234 or resid 236...II8 - 2348 - 234
92ILEILETHRTHR(chain I and (resid 8 through 234 or resid 236...II236 - 346236 - 346
93PROPROLEULEU(chain I and (resid 8 through 234 or resid 236...II6 - 3676 - 367

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Components

#1: Protein
Hyaluronoglucosaminidase / Hyaluronidase


Mass: 40644.656 Da / Num. of mol.: 9
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Streptococcus pyogenes phage H4489A (virus)
Gene: HYLP1, HYLP / Plasmid: pET24a / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P15316, hyaluronate lyase
#2: Polysaccharide
4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4) ...4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 758.633 Da / Num. of mol.: 9
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a2122A-1b_1-5][a21eEA-1a_1-5]/1-2-1-3/a3-b1_b4-c1_c3-d1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(3+1)][b-D-GlcpA]{[(4+1)][b-D-GlcpNAc]{[(3+1)][b-D-4-deoxy-GlcpA]{}}}}LINUCSPDB-CARE
#3: Polysaccharide
4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4) ...4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1517.267 Da / Num. of mol.: 9
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
WURCS=2.0/3,8,7/[a2122h-1b_1-5_2*NCC/3=O][a2122A-1b_1-5][a21eEA-1a_1-5]/1-2-1-2-1-2-1-3/a3-b1_b4-c1_c3-d1_d4-e1_e3-f1_f4-g1_g3-h1WURCSPDB2Glycan 1.1.0
[][b-D-GlcpNAc]{[(3+1)][b-D-GlcpA]{[(4+1)][b-D-GlcpNAc]{[(3+1)][b-D-GlcpA]{[(4+1)][b-D-GlcpNAc]{[(3+1)][b-D-GlcpA]{[(4+1)][b-D-GlcpNAc]{[(3+1)][a-L-4-deoxy-IdopA]{}}}}}}}}LINUCSPDB-CARE
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: 2.92 Å3/Da / Density % sol: 57.81 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8.5
Details: 17.5-18.5% (w/v) PEG 2000 MME, 70 mM KBr, 62.5 mM Glycine, 100 mM Tris-HCl, pH 8.5; prior to crystallization the protein was incubated with unsaturated hyaluronan octa-saccharides at a molar ratio of 1:50

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.97918 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: May 29, 2012
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97918 Å / Relative weight: 1
ReflectionResolution: 3.581→35 Å / Num. obs: 49298 / % possible obs: 97.5 % / Redundancy: 4.2 % / Biso Wilson estimate: 91.96 Å2 / Rmerge(I) obs: 0.124 / Χ2: 1.537 / Net I/av σ(I): 14.4 / Net I/σ(I): 6.5
Reflection shellResolution: 3.6→3.73 Å / Redundancy: 3 % / Rmerge(I) obs: 0.383 / Mean I/σ(I) obs: 2.52 / Num. unique obs: 4295 / Χ2: 1.068 / % possible all: 86.5

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Processing

Software
NameVersionClassification
PHENIX1.13_2998refinement
SCALEPACKdata scaling
PDB_EXTRACT3.25data extraction
DENZOdata reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2C3F, 1BKV

2c3f

1bkv


Resolution: 3.581→29.867 Å / SU ML: 0.43 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 30.38 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2991 2519 5.17 %
Rwork0.2473 46186 -
obs0.25 48705 95.83 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 230.47 Å2 / Biso mean: 105.6094 Å2 / Biso min: 28.32 Å2
Refinement stepCycle: final / Resolution: 3.581→29.867 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms24172 0 1402 0 25574
Biso mean--96.31 --
Num. residues----3241
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A9315X-RAY DIFFRACTION9.214TORSIONAL
12B9315X-RAY DIFFRACTION9.214TORSIONAL
13C9315X-RAY DIFFRACTION9.214TORSIONAL
14D9315X-RAY DIFFRACTION9.214TORSIONAL
15E9315X-RAY DIFFRACTION9.214TORSIONAL
16F9315X-RAY DIFFRACTION9.214TORSIONAL
17G9315X-RAY DIFFRACTION9.214TORSIONAL
18H9315X-RAY DIFFRACTION9.214TORSIONAL
19I9315X-RAY DIFFRACTION9.214TORSIONAL
LS refinement shellResolution: 3.581→3.6498 Å / Rfactor Rfree error: 0
RfactorNum. reflection% reflection
Rfree0.354 113 -
Rwork0.3234 1907 -
obs--73 %
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)
15.0295-2.7895-0.38163.9134-1.97467.5788-0.0135-0.2486-1.7-0.24940.46140.82960.9545-1.1019-0.35111.0866-0.1954-0.03330.4360.13630.8549-16.1249-40.1061111.352
23.2092-0.1436-0.40325.1518-5.32097.1834-0.1498-0.0701-0.5110.19720.21030.76430.0255-0.741-0.04070.4951-0.0779-0.07630.7501-0.06690.5576-17.7003-32.582699.5699
30.1221-0.63871.29431.3614-3.42387.3368-0.19890.08890.11380.2223-0.0745-0.0659-0.3305-0.00830.14710.6403-0.0094-0.19090.82680.10870.5342-28.5149-5.354-18.7302
45.7753-0.84072.53692.4767-3.66578.5301-0.1864-0.72390.43170.59590.0044-1.0544-1.0245-0.80860.05481.0010.0917-0.29730.63050.08310.8207-40.234827.3863-67.4063
53.6601-1.44771.65083.9511-2.30975.88430.159-0.2151-0.40130.00970.06220.51820.4785-1.6034-0.19460.5679-0.1724-0.17030.83950.03590.4587-52.610920.1544-81.6693
64.4835-1.00480.91792.7175-0.61641.20270.01890.41740.1918-0.59360.66230.1320.463-1.1596-0.44130.4527-0.0025-0.16421.46140.27240.4921-59.767934.215-102.7723
70.7603-0.0481-0.42070.09320.22510.67520.01740.78520.69330.01820-0.1113-0.1481-0.05260.01980.8517-0.0899-0.57612.23750.85221.1192-71.961154.45-130.359
80.20740.09210.69550.5219-0.3246.5182-0.0188-0.03960.39090.1055-0.17090.0712-0.7492-0.24040.18570.73740.0233-0.05090.24430.01510.5416-9.2303-24.153682.4211
90.3173-0.54951.68151.4227-3.04937.53130.2926-0.0445-0.1153-0.22780.02220.13650.6835-0.2244-0.37480.556-0.0474-0.1030.75110.22130.6628-31.55421.2695-36.2757
103.3758-0.6252.02512.0553-1.15192.6497-0.337-0.2266-0.2150.14010.64310.3506-0.1229-1.2378-0.31930.4136-0.0399-0.06971.11440.20460.4969-54.865825.846-83.119
110.4711-0.44731.21890.5833-1.08312.7513-0.19551.06870.3947-0.23160.04950.1083-0.0538-0.10650.00940.4604-0.1766-0.33461.98840.68380.8971-63.633441.7345-117.5605
120.1428-0.14670.95020.4209-1.64114.99350.3260.0738-0.0763-0.11330.20230.25170.7023-0.2004-0.40920.99560.1360.04140.3810.07080.5285-10.5549-29.05658.4272
132.2749-0.54332.21781.1309-1.98125.315-0.2130.07420.19230.09660.5230.2687-0.1069-1.3047-0.26970.4636-0.0668-0.15511.00780.24350.5183-54.814929.2025-90.8158
147.66860.23273.25363.23540.60556.64920.2755-1.21490.410.2281-0.61210.611-0.8055-0.74630.28980.7944-0.27270.2180.544-0.05840.6065-14.5809-6.0725185.9468
152.55841.0719-1.65732.4427-0.9085.4992-0.04870.66680.3304-0.3074-0.46020.2086-0.352-1.43590.4870.63550.0722-0.32180.8402-0.01230.7897-15.4445-0.0245173.3798
160.3991-0.51490.141.1085-1.61844.1957-0.098-0.01380.1752-0.1392-0.584-0.2233-0.22670.54920.77091.1352-0.0758-0.06950.7213-0.08160.5772-16.9217.738982.7555
171.34281.24161.16661.8926-1.38768.77460.1152-0.1105-0.10220.3568-0.1891-0.45261.6696-0.57660.07820.6927-0.0542-0.04010.57110.04010.566-39.448622.607220.7435
186.84681.0142.33337.10370.1644.2305-0.64110.0029-0.2655-1.0106-0.1065-0.51290.8359-0.5440.59741.0533-0.12830.18050.76450.14190.4282-45.632534.32360.1175
194.58920.56662.69843.4174-0.62863.799-0.3650.0537-0.5288-0.34250.1642-0.23681.3847-0.99770.230.951-0.33290.12040.7549-0.10710.3109-53.019136.7695-11.658
202.83790.5794-0.53142.4687-1.832.9613-0.79620.40040.3051-0.6914-0.0319-0.08930.9206-0.6422-0.08340.883-0.701-0.21561.5657-0.15910.4546-54.834541.1537-27.0065
211.26581.04710.60611.22440.14041.3942-0.0992-0.08450.0172-0.01670.10380.25840.2709-0.56680.01471.0417-0.8831-0.33651.92390.01260.4989-71.853134.06-27.8187
222.44770.44770.96831.25630.99044.2514-1.19460.71250.9094-0.77530.2830.1792-0.5673-0.06240.41420.8127-0.5655-0.52841.58760.22670.7157-60.709154.929-37.3681
232.08450.5858-0.09732.271-0.0820.7092-0.53431.24010.81140.07760.30090.0522-0.06320.36580.20951.1421-0.6074-0.38882.58580.56630.6186-73.599958.2085-55.0858
244.10851.6702-0.16896.2193.01852.35160.06770.11810.7019-0.1838-0.26051.1588-0.9847-0.25440.2150.9907-0.1207-0.07060.0818-0.05850.6179-6.755810.8155180.7367
250.535-0.20472.05320.2259-1.39497.6564-0.11430.22790.1997-0.184-0.1376-0.13440.59650.39740.15850.99660.00410.02350.88790.01550.4995-16.11219.38991.4051
262.7539-1.9937-0.62822.36320.50262.09960.0840.0902-0.4566-0.4996-0.1906-0.23180.772-0.1829-0.08860.9884-0.1706-0.07960.94690.11410.7961-40.258330.52215.7534
273.00520.57120.74272.0859-1.12674.7478-0.2884-0.32870.2268-0.00340.1124-0.11520.5653-1.15340.21560.7161-0.3953-0.10240.8409-0.01540.4288-54.125939.1465-10.1713
282.37660.50260.43240.9540.27681.0278-0.51170.82450.3542-0.64560.62120.12520.1446-0.8710.6311.2514-1.0729-0.76371.7720.05490.4498-64.919745.2287-32.5493
291.00350.43360.52080.37260.47180.8406-0.0430.1360.1434-0.24060.28890.10780.11750.23210.13761.355-1.1745-1.02482.74180.55561.0341-70.381559.021-61.6372
300.2849-0.52141.11950.2884-1.12863.31690.01160.18590.0239-0.29030.0211-0.05310.5606-0.1659-0.08771.1191-0.163-0.02320.56650.15490.5583-7.6584-0.908134.6984
311.8824-0.06421.751.5637-1.51325.2145-0.33810.20030.1216-0.45660.1837-0.29990.9238-0.98790.01240.7125-0.38150.0530.8027-0.09690.4865-52.539.6303-11.8687
320.0159-0.0146-0.0740.0020.07760.3208-0.23370.1210.226-0.73280.01880.6635-0.0989-0.12410.18841.6514-1.1951-0.71282.26770.33541.2233-75.740654.3958-63.2311
334.55220.35212.07982.50091.56128.0563-0.0192-0.7615-0.9174-0.77970.0839-0.772-0.63650.33760.090.65130.06990.13820.61180.09630.6347-154.4829-6.2611-257.5109
340.49860.0717-1.04940.6178-0.81852.7308-0.50020.1534-0.34310.0017-0.3989-0.34170.7468-0.1490.51270.6019-0.074-0.08820.52390.10210.5843-155.00061.7445-233.7191
350.98581.18431.8442.22013.07256.78690.0852-0.130.3817-0.2483-0.25280.3557-1.2948-0.04830.2291.01880.01570.15320.8644-0.03650.5383-151.370710.473-144.1314
363.5113-0.17262.86621.84761.03373.1023-0.13390.4272-0.1949-0.21370.4852-0.30450.14580.1798-0.37470.9999-0.24850.09920.6354-0.09710.4291-127.393219.3229-79.3387
374.1750.89031.20453.67030.68293.9402-0.2308-0.0670.0892-0.54120.3425-1.08050.04080.5369-0.08640.3255-0.05420.18570.5068-0.15130.6509-113.363625.016-54.214
381.9350.59542.32562.18861.54528.02550.1997-0.48680.05970.21060.122-0.47990.08540.664-0.3130.35490.0057-0.09390.7355-0.11420.6427-103.296329.9516-23.6168
390.28780.10791.60010.04110.88098.67260.0234-0.09140.08490.02410.0817-0.0033-0.50970.161-0.11020.8662-0.139-0.0230.4048-0.02070.4589-152.186911.3182-175.5574
403.14881.11743.65291.54471.26836.4575-0.00670.0096-0.1243-0.06340.1121-0.57430.01860.1886-0.10290.3736-0.03190.0130.4527-0.13440.6993-109.416627.0256-40.0731
415.41540.3989-0.28138.9558-0.35946.59110.27980.1599-0.37730.1181-0.11840.4551-0.19540.5332-0.05580.43520.01320.04270.2782-0.04510.2704-171.7075-5.2413-252.0852
420.2650.09590.87990.60651.93846.4905-0.18090.06630.3590.0874-0.194-0.0157-0.41680.2830.27171.0890.0221-0.00230.1167-0.08610.4914-161.2997-0.3658-210.4798
435.95620.3644.68493.01960.0343.68350.99490.2124-0.44150.1206-0.25860.30463.02180.2301-0.74821.1699-0.02830.12340.52440.06760.3695-148.27154.8175-135.5936
442.29620.51961.54160.23830.11612.02170.06660.37740.149-0.20610.44870.09510.46250.2905-0.45491.4937-0.19450.15060.7407-0.18860.5123-134.402220.0061-89.7876
455.5466-0.38434.22053.99152.00745.33350.42331.2383-1.1577-0.33950.6206-1.18631.08751.4299-1.08520.97390.0945-0.14471.262-0.7490.9483-114.902614.354-73.7782
464.9861.64973.41354.095-0.23485.605-0.39640.332-0.0697-0.44130.19070.1407-1.2524-0.291-0.04690.9223-0.0885-0.02921.058-0.04830.5371-125.005832.2306-66.4719
475.86981.22521.88654.75941.90247.58490.4499-0.2002-0.2349-0.3311-0.0110.36390.0510.4397-0.35640.3628-0.03290.03270.2672-0.06060.5741-117.616825.3743-56.2503
483.8545-1.22230.55654.91392.13668.9215-0.1806-0.43970.14270.29950.034-0.3064-0.3138-0.56790.16030.3298-0.0108-0.13980.6227-0.12520.3646-114.071829.8824-40.1834
491.2214-0.77212.36915.18251.78466.88820.18240.0692-0.647-0.25280.3745-1.39960.12571.7166-0.69550.5257-0.1701-0.08551.3649-0.19341.0618-97.661727.8049-30.803
501.86890.97762.74440.66962.22227.88291.0333-0.6952-0.29441.3569-0.1496-0.9750.89290.9249-0.98561.2089-0.0811-0.4661.1098-0.01991.1684-93.347429.3386-2.9963
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 7 through 34 )A7 - 34
2X-RAY DIFFRACTION2chain 'A' and (resid 35 through 66 )A35 - 66
3X-RAY DIFFRACTION3chain 'A' and (resid 67 through 154 )A67 - 154
4X-RAY DIFFRACTION4chain 'A' and (resid 155 through 174 )A155 - 174
5X-RAY DIFFRACTION5chain 'A' and (resid 175 through 234 )A175 - 234
6X-RAY DIFFRACTION6chain 'A' and (resid 235 through 332 )A235 - 332
7X-RAY DIFFRACTION7chain 'A' and (resid 333 through 367 )A333 - 367
8X-RAY DIFFRACTION8chain 'B' and (resid 6 through 90 )B6 - 90
9X-RAY DIFFRACTION9chain 'B' and (resid 91 through 154 )B91 - 154
10X-RAY DIFFRACTION10chain 'B' and (resid 155 through 274 )B155 - 274
11X-RAY DIFFRACTION11chain 'B' and (resid 275 through 367 )B275 - 367
12X-RAY DIFFRACTION12chain 'C' and (resid 6 through 116 )C6 - 116
13X-RAY DIFFRACTION13chain 'C' and (resid 117 through 366 )C117 - 366
14X-RAY DIFFRACTION14chain 'D' and (resid 7 through 34 )D7 - 34
15X-RAY DIFFRACTION15chain 'D' and (resid 35 through 66 )D35 - 66
16X-RAY DIFFRACTION16chain 'D' and (resid 67 through 116 )D67 - 116
17X-RAY DIFFRACTION17chain 'D' and (resid 117 through 154 )D117 - 154
18X-RAY DIFFRACTION18chain 'D' and (resid 155 through 194 )D155 - 194
19X-RAY DIFFRACTION19chain 'D' and (resid 195 through 234 )D195 - 234
20X-RAY DIFFRACTION20chain 'D' and (resid 235 through 274 )D235 - 274
21X-RAY DIFFRACTION21chain 'D' and (resid 275 through 294 )D275 - 294
22X-RAY DIFFRACTION22chain 'D' and (resid 295 through 332 )D295 - 332
23X-RAY DIFFRACTION23chain 'D' and (resid 333 through 356 )D333 - 356
24X-RAY DIFFRACTION24chain 'E' and (resid 8 through 42 )E8 - 42
25X-RAY DIFFRACTION25chain 'E' and (resid 43 through 134 )E43 - 134
26X-RAY DIFFRACTION26chain 'E' and (resid 135 through 174 )E135 - 174
27X-RAY DIFFRACTION27chain 'E' and (resid 175 through 254 )E175 - 254
28X-RAY DIFFRACTION28chain 'E' and (resid 255 through 332 )E255 - 332
29X-RAY DIFFRACTION29chain 'E' and (resid 333 through 365 )E333 - 365
30X-RAY DIFFRACTION30chain 'F' and (resid 3 through 116 )F3 - 116
31X-RAY DIFFRACTION31chain 'F' and (resid 117 through 332 )F117 - 332
32X-RAY DIFFRACTION32chain 'F' and (resid 333 through 368 )F333 - 368
33X-RAY DIFFRACTION33chain 'G' and (resid 6 through 42 )G6 - 42
34X-RAY DIFFRACTION34chain 'G' and (resid 43 through 76 )G43 - 76
35X-RAY DIFFRACTION35chain 'G' and (resid 77 through 116 )G77 - 116
36X-RAY DIFFRACTION36chain 'G' and (resid 117 through 194 )G117 - 194
37X-RAY DIFFRACTION37chain 'G' and (resid 195 through 254 )G195 - 254
38X-RAY DIFFRACTION38chain 'G' and (resid 255 through 368 )G255 - 368
39X-RAY DIFFRACTION39chain 'H' and (resid 8 through 154 )H8 - 154
40X-RAY DIFFRACTION40chain 'H' and (resid 155 through 369 )H155 - 369
41X-RAY DIFFRACTION41chain 'I' and (resid 6 through 48 )I6 - 48
42X-RAY DIFFRACTION42chain 'I' and (resid 49 through 86 )I49 - 86
43X-RAY DIFFRACTION43chain 'I' and (resid 87 through 116 )I87 - 116
44X-RAY DIFFRACTION44chain 'I' and (resid 117 through 154 )I117 - 154
45X-RAY DIFFRACTION45chain 'I' and (resid 155 through 174 )I155 - 174
46X-RAY DIFFRACTION46chain 'I' and (resid 175 through 194 )I175 - 194
47X-RAY DIFFRACTION47chain 'I' and (resid 195 through 234 )I195 - 234
48X-RAY DIFFRACTION48chain 'I' and (resid 235 through 294 )I235 - 294
49X-RAY DIFFRACTION49chain 'I' and (resid 295 through 332 )I295 - 332
50X-RAY DIFFRACTION50chain 'I' and (resid 333 through 367 )I333 - 367

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