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- PDB-4xak: Crystal structure of potent neutralizing antibody m336 in complex... -

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Basic information

Entry
Database: PDB / ID: 4xak
TitleCrystal structure of potent neutralizing antibody m336 in complex with MERS Co-V RBD
Components
  • Heavy chain of neutralizing antibody m336
  • Light chain of neutralizing antibody m336
  • Spike glycoprotein
KeywordsIMMUNE SYSTEM / MERS-CoV RBD / antibody m336 / neutralization
Function / homology
Function and homology information


membrane fusion / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / positive regulation of viral entry into host cell / receptor-mediated virion attachment to host cell / endocytosis involved in viral entry into host cell / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / host cell plasma membrane / virion membrane / membrane
Similarity search - Function
ubp-family deubiquitinating enzyme fold - #30 / Spike protein, C-terminal core receptor binding subdomain / ubp-family deubiquitinating enzyme fold / Spike (S) protein S1 subunit, receptor-binding domain, MERS-CoV / Spike (S) protein S1 subunit, N-terminal domain, MERS-CoV-like / Spike glycoprotein S2, coronavirus, C-terminal / Coronavirus spike glycoprotein S2, intravirion / Single Sheet / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal ...ubp-family deubiquitinating enzyme fold - #30 / Spike protein, C-terminal core receptor binding subdomain / ubp-family deubiquitinating enzyme fold / Spike (S) protein S1 subunit, receptor-binding domain, MERS-CoV / Spike (S) protein S1 subunit, N-terminal domain, MERS-CoV-like / Spike glycoprotein S2, coronavirus, C-terminal / Coronavirus spike glycoprotein S2, intravirion / Single Sheet / Coronavirus spike glycoprotein S1, C-terminal / Coronavirus spike glycoprotein S1, C-terminal / Spike glycoprotein, betacoronavirus / Spike glycoprotein, N-terminal domain superfamily / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Betacoronavirus spike glycoprotein S1, receptor binding / Spike glycoprotein S1, N-terminal domain, betacoronavirus-like / Betacoronavirus-like spike glycoprotein S1, N-terminal / Spike glycoprotein S2, coronavirus, heptad repeat 1 / Spike glycoprotein S2, coronavirus, heptad repeat 2 / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 1 (HR1) region profile. / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 2 (HR2) region profile. / Spike glycoprotein S2 superfamily, coronavirus / Spike glycoprotein S2, coronavirus / Coronavirus spike glycoprotein S2 / Alpha-Beta Plaits / Immunoglobulins / Immunoglobulin-like / Sandwich / 2-Layer Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Biological speciesHuman coronavirus EMC
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.45 Å
AuthorsZhou, T. / Dimtrov, D.S. / Ying, T.
CitationJournal: Nat Commun / Year: 2015
Title: Junctional and allele-specific residues are critical for MERS-CoV neutralization by an exceptionally potent germline-like antibody.
Authors: Ying, T. / Prabakaran, P. / Du, L. / Shi, W. / Feng, Y. / Wang, Y. / Wang, L. / Li, W. / Jiang, S. / Dimitrov, D.S. / Zhou, T.
History
DepositionDec 15, 2014Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 26, 2015Provider: repository / Type: Initial release
Revision 1.1Sep 23, 2015Group: Database references
Revision 1.2Nov 22, 2017Group: Derived calculations / Refinement description / Category: pdbx_struct_oper_list / software / Item: _pdbx_struct_oper_list.symmetry_operation
Revision 1.3Jul 29, 2020Group: Data collection / Derived calculations / Structure summary
Category: chem_comp / entity ...chem_comp / entity / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / struct_conn / struct_site / struct_site_gen
Item: _chem_comp.name / _chem_comp.type ..._chem_comp.name / _chem_comp.type / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _struct_conn.pdbx_role
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 1.4Sep 27, 2023Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.5Oct 30, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Spike glycoprotein
H: Heavy chain of neutralizing antibody m336
L: Light chain of neutralizing antibody m336
B: Spike glycoprotein
D: Heavy chain of neutralizing antibody m336
E: Light chain of neutralizing antibody m336
hetero molecules


Theoretical massNumber of molelcules
Total (without water)155,79412
Polymers154,7256
Non-polymers1,0696
Water4,252236
1
A: Spike glycoprotein
H: Heavy chain of neutralizing antibody m336
L: Light chain of neutralizing antibody m336
hetero molecules


Theoretical massNumber of molelcules
Total (without water)77,9897
Polymers77,3623
Non-polymers6274
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area6850 Å2
ΔGint-24 kcal/mol
Surface area28660 Å2
MethodPISA
2
B: Spike glycoprotein
D: Heavy chain of neutralizing antibody m336
E: Light chain of neutralizing antibody m336
hetero molecules


Theoretical massNumber of molelcules
Total (without water)77,8055
Polymers77,3623
Non-polymers4422
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area6080 Å2
ΔGint-20 kcal/mol
Surface area28570 Å2
MethodPISA
Unit cell
Length a, b, c (Å)47.795, 146.879, 200.508
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121

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Components

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Antibody , 2 types, 4 molecules HDLE

#2: Antibody Heavy chain of neutralizing antibody m336


Mass: 26525.562 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK 293F / Production host: Homo sapiens (human)
#3: Antibody Light chain of neutralizing antibody m336


Mass: 23211.752 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Plasmid: plasmid / Cell line (production host): HEK 293F / Production host: Homo sapiens (human)

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Protein / Sugars , 2 types, 6 molecules AB

#1: Protein Spike glycoprotein / S glycoprotein / E2 / Peplomer protein


Mass: 27625.014 Da / Num. of mol.: 2 / Fragment: Receptor-binding domain (UNP residues 367-601)
Source method: isolated from a genetically manipulated source
Details: MERS-CoV RBD with HRV3C cleavage site and His 6x tag at the C-terminal.
Source: (gene. exp.) Human coronavirus EMC / Strain: isolate United Kingdom/H123990006/2012 / Gene: S, 3 / Plasmid: pVRC8400 / Cell line (production host): GNTI-/- / Production host: Homo sapiens (human) / References: UniProt: K9N5Q8
#4: 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: obtained synthetically / 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

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Non-polymers , 2 types, 238 molecules

#5: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 236 / Source method: isolated from a natural source / Formula: H2O

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Details

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: 2.27 Å3/Da / Density % sol: 45.92 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: 20% PEG 2000MME, 100 mM HEPES, pH7.5 / PH range: 7.5

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Data collection

DiffractionMean temperature: 100 K / Ambient temp details: Liquid nitrogen stream
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Aug 23, 2014 / Details: MAR300HS
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.45→50 Å / Num. obs: 48854 / % possible obs: 91.5 % / Observed criterion σ(I): -3 / Redundancy: 3.7 % / Biso Wilson estimate: 47.67 Å2 / Rmerge(I) obs: 0.114 / Rpim(I) all: 0.06 / Rrim(I) all: 0.129 / Χ2: 0.946 / Net I/av σ(I): 10.912 / Net I/σ(I): 6.3 / Num. measured all: 181576
Reflection shell

Diffraction-ID: 1 / Rejects: _

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. unique allCC1/2Rpim(I) allRrim(I) allΧ2% possible all
2.45-2.492.50.4751.313810.7980.2780.5550.46552.6
2.49-2.542.60.48716960.7760.290.5720.48363.8
2.54-2.592.60.45519390.7960.2740.5360.48875.1
2.59-2.6430.41422260.8230.2380.4820.56884
2.64-2.73.10.39822910.8310.2290.4640.54488.3
2.7-2.763.40.40223890.8220.2280.4670.60791.6
2.76-2.833.60.35825400.8470.2010.4140.64994.4
2.83-2.93.60.33525310.8590.1870.3870.68397.6
2.9-2.993.80.28526440.910.1530.3260.78398.8
2.99-3.093.90.27625880.9140.1470.3160.85198.9
3.09-3.240.23826500.9390.1250.271.02999.4
3.2-3.324.10.20926030.9560.1090.2371.14299.5
3.32-3.484.10.17526330.9630.0910.1991.18199.1
3.48-3.664.10.1426590.9790.0730.1591.24899.1
3.66-3.894.10.1226400.9830.0620.1361.37499.1
3.89-4.194.10.10226420.9870.0530.1161.15798.7
4.19-4.614.10.08426420.9910.0430.0951.22598.2
4.61-5.284.10.07426900.9930.0370.0831.13898.1
5.28-6.6540.06426780.9940.0340.0730.83897.6
6.65-503.80.05427920.9950.0290.0610.94595.2

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
PHENIX(phenix.refine: dev_1702)refinement
HKL-2000data scaling
PHASERphasing
PDB_EXTRACT3.15data extraction
Cootmodel building
SCALEPACKdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4KQZ

4kqz


Resolution: 2.45→45.449 Å / SU ML: 0.34 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 26.71 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2491 2479 5.08 %Random selection
Rwork0.1982 46327 --
obs0.2008 48806 91.51 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 166.98 Å2 / Biso mean: 67.0747 Å2 / Biso min: 25.67 Å2
Refinement stepCycle: final / Resolution: 2.45→45.449 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9745 0 68 236 10049
Biso mean--74.74 53 -
Num. residues----1286
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00210053
X-RAY DIFFRACTIONf_angle_d0.62413656
X-RAY DIFFRACTIONf_chiral_restr0.0241573
X-RAY DIFFRACTIONf_plane_restr0.0031736
X-RAY DIFFRACTIONf_dihedral_angle_d10.3763592
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.4463-2.49330.3393760.27831435X-RAY DIFFRACTION51
2.4933-2.54420.3061930.28671807X-RAY DIFFRACTION66
2.5442-2.59950.3341120.27352142X-RAY DIFFRACTION78
2.5995-2.660.32751370.26232386X-RAY DIFFRACTION85
2.66-2.72650.30151460.25812458X-RAY DIFFRACTION90
2.7265-2.80020.29221550.25022621X-RAY DIFFRACTION94
2.8002-2.88260.30571470.25422631X-RAY DIFFRACTION97
2.8826-2.97560.29661480.23792801X-RAY DIFFRACTION99
2.9756-3.0820.29071610.24142729X-RAY DIFFRACTION99
3.082-3.20530.33311430.2282808X-RAY DIFFRACTION99
3.2053-3.35120.25281230.21142765X-RAY DIFFRACTION99
3.3512-3.52780.24761600.20642750X-RAY DIFFRACTION99
3.5278-3.74870.25841320.19192829X-RAY DIFFRACTION99
3.7487-4.0380.23751410.19072816X-RAY DIFFRACTION99
4.038-4.4440.23811520.15962778X-RAY DIFFRACTION98
4.444-5.08640.19671550.15452788X-RAY DIFFRACTION98
5.0864-6.40540.22931400.18132855X-RAY DIFFRACTION98
6.4054-45.45710.20121580.17582928X-RAY DIFFRACTION96
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)
14.3742-1.5417-1.42112.04730.91162.71890.0759-0.17160.09940.0410.1561-0.0589-0.4030.0976-0.20040.3443-0.05780.11140.3861-0.07220.392511.360593.84358.5108
23.7932-2.74611.11614.0719-0.87942.38490.0171-0.3997-0.30160.39960.11090.37130.0926-0.0858-0.10970.3123-0.11460.09850.4985-0.06770.422427.535778.026857.9318
34.1084-2.31330.39561.8696-0.09811.1654-0.0804-0.10270.25230.34580.0722-0.0024-0.10920.0130.020.3406-0.12330.09760.3537-0.06210.382219.206989.611760.6101
44.4019-3.40623.45236.027-3.56613.08850.50950.1014-0.8723-0.42290.31120.83130.2835-0.8334-0.86070.49710.0364-0.0650.5817-0.0030.564554.9952-11.4981118.5089
51.615-2.2848-0.20515.043-3.17596.55470.38410.293-0.2135-0.5275-0.10580.17030.51180.4439-0.28010.38740.0249-0.11040.509-0.08410.422164.7869-16.4298115.9232
69.84352.3618-5.46949.4485-3.67283.7948-0.336-1.1164-0.54570.75710.3739-2.00320.74041.044-0.06950.78690.1711-0.10640.78330.04120.708574.4185-2.8376110.6664
75.6958-4.95282.24776.0623-5.4428.28080.2749-0.706-0.20230.0665-0.355-0.396-0.6682-0.07380.10620.3113-0.0511-0.01650.45670.02620.31468.1952-10.0732116.674
88.50783.6776-1.0885.0952-0.19472.9856-0.1734-0.0179-0.75350.00250.63140.0861-0.2428-0.4396-0.32790.70660.0854-0.33230.8042-0.02660.600752.7392-14.0482102.3274
98.88183.25311.91834.71951.86675.4630.414-0.07550.85130.1112-0.16580.0719-1.04720.4317-0.14130.92870.00070.06130.4542-0.05840.447469.48419.4313111.6984
105.8545-0.4251-2.68258.9803-0.27291.20830.7267-0.10170.3736-1.3285-0.21670.0432-1.9724-0.8661-0.51011.16110.07360.10850.53290.08630.463863.11511.8533106.2483
115.0731-0.8202-0.30124.5016-1.7350.76450.04710.3189-0.2118-1.0335-0.30050.60110.0911-0.36390.23610.56830.0475-0.12180.322-0.03390.313961.6572-12.6662108.9283
124.48624.48395.04834.57175.66519.4420.401-1.4241-0.33170.4712-1.10940.92970.8089-0.30370.82070.51120.0028-0.03880.63480.00720.622358.9162-22.2699132.0814
138.1208-1.99824.78863.88821.36878.6338-0.1037-0.5383-0.16130.3103-0.02030.32780.3696-0.52950.02330.2869-0.06770.09490.36250.04260.462538.526555.714738.4166
144.7507-1.656-4.42653.54920.46933.9101-0.02540.1933-0.39330.10820.00070.3472-0.1637-0.7050.02040.1648-0.03410.01880.4721-0.03350.412836.725667.59540.9502
155.1056-0.57870.89726.5576-1.18484.4123-0.03110.3685-0.32110.37990.03820.71220.0066-1.06130.01580.2396-0.02850.04780.5496-0.09940.530230.34162.128437.855
160.1473-0.9247-0.34433.69142.843.0007-0.0603-0.107-0.0296-0.0473-0.13370.36650.0071-0.15690.23270.2426-0.07210.00110.4831-0.02760.435741.980362.055933.8864
178.045-1.4684-0.52155.4962-0.09116.05670.24460.3157-0.3309-0.4337-0.3172-0.674-0.04310.42560.03730.30030.0110.01940.23950.03460.410660.380447.181517.2007
182.68450.085-3.71557.93970.05566.70850.3037-0.5110.0568-0.0235-0.404-0.8709-0.37090.43610.11290.2352-0.0621-0.04760.3148-0.04720.386861.882252.553321.9429
198.4173-0.8699-0.51445.22870.41055.08150.0536-0.3214-0.6369-0.0147-0.0873-0.30810.32270.44540.00340.27920.05330.04450.30010.01510.36859.369845.917719.1125
203.28360.2941-3.34817.02650.41267.27190.48170.4385-1.1213-0.7452-0.1689-0.14880.3329-0.0769-0.14930.42020.09470.03940.45580.06880.705659.015438.23418.5642
215.1711-3.9061-1.39814.18941.09162.570.2741.5311.0448-0.2992-0.133-0.3696-0.34580.0421-0.07120.387-0.08930.03090.3480.01730.380654.1780.230827.5039
227.8032-4.0932-1.43729.393-1.86123.4926-0.11590.19280.73030.13150.2963-0.2457-0.4629-0.0746-0.16960.2917-0.0468-0.01740.4427-0.05510.329547.87982.500134.8695
232.74112.32950.57512.64711.11015.78970.1058-0.43270.31130.24740.1306-0.0602-0.11230.2511-0.25310.17360.04570.03530.3906-0.02970.372654.158778.14739.2687
247.8756-1.81910.12047.55251.035.3660.12590.3648-0.7638-0.13890.0836-0.1594-0.1150.3239-0.26840.2309-0.05990.03730.31580.00510.339757.474574.538833.3471
252.837-1.0662-3.51833.27093.74645.9391-0.2561-0.3608-0.12950.41480.02-0.40690.56480.49590.23760.27570.04320.00960.33860.07040.300540.274777.96434.6643
269.463-6.2686-0.06092.05225.18564.71670.00130.17931.1832-0.41230.5408-0.87630.2309-0.0064-0.38530.4112-0.09280.13840.5193-0.03430.466566.501270.576519.3208
275.31465.40530.26065.2497-0.3182.6419-0.0628-0.1731-0.7019-0.6827-0.0955-0.36570.9276-0.26020.20320.6644-0.0240.06530.4494-0.10180.446458.982944.17446.8966
288.12944.31095.57986.626.52477.4288-0.09190.47480.2117-0.48920.04750.1482-0.4780.08690.04710.3115-0.00440.01140.33830.03290.391457.648658.57086.2217
295.7712.40111.27818.29363.17994.5301-0.22920.0631-0.0451-0.9080.0811-0.0323-0.0996-0.40670.16070.28840.02380.02460.34870.04860.322558.572254.64847.4335
307.18274.43432.66895.55426.66992.3893-0.27020.7149-0.0302-0.34330.6960.30690.10150.3802-0.46820.6711-0.0592-0.00860.47120.02040.311365.876758.29821.1813
315.79871.2299-2.44636.85331.33478.10550.4992-0.0626-0.07480.2004-0.8731-0.56040.09270.9430.28180.75870.1870.10470.75270.19150.437273.189225.833688.3473
325.2692-0.1653-1.31794.4486-3.38763.10780.18021.1727-0.3191-1.3969-0.8345-0.59081.16180.94370.59670.99470.25340.14620.7136-0.00850.501270.040515.787587.5977
335.6271-1.1393-0.64916.9775-5.69197.72450.63130.1351-0.2357-0.4117-0.49770.14670.27180.65-0.0510.59550.15250.07010.75790.09350.538871.039421.772585.9982
340.32460.6348-1.18373.8693-2.65395.7414-0.3615-0.1763-0.1923-0.2028-0.4876-0.38381.04870.96590.85290.78260.12340.15280.6990.09380.492969.553528.29980.0653
359.2895-6.682-1.35768.78990.15567.32540.2069-0.21960.5384-0.30830.0646-0.39890.23590.5464-0.23580.8675-0.08530.16660.53660.03920.509469.399545.758961.5532
366.0349-1.9996-3.32358.8913.68156.36880.14010.58780.38330.1874-0.42010.0481-0.2721-0.03090.30670.71170.01460.02850.67090.08650.422667.021347.179466.6054
379.893-5.3373.16728.8431-5.92714.27550.0264-0.22810.66730.9713-0.2345-0.0394-1.19950.7640.06571.0858-0.106-0.08820.8890.02270.689875.009652.675265.0059
383.08551.7471-0.63319.5126-2.42562.6836-0.42890.25020.24431.20651.02890.37110.0451-1.3722-0.5240.82120.06440.02091.0105-0.01130.854545.469626.986780.385
394.84580.78622.10856.6837-2.69362.3373-0.30860.1331-0.7615-1.07370.58411.15480.7164-0.6903-0.30740.8758-0.0921-0.00810.89820.08630.937248.527620.620887.7424
409.17320.21480.15234.3596-5.61458.5303-0.1019-1.19930.20740.50530.88311.174-1.0294-1.4694-0.86720.83360.27010.26620.8730.13030.822249.492228.557691.8369
415.5421-7.2519-0.80719.59971.77367.79660.47440.12170.89690.64930.38390.8066-1.9417-1.2721-0.8220.91560.2070.23550.77190.19961.074449.860932.940785.5806
427.014-1.92133.74425.4763-0.16077.6889-0.087-0.87030.8489-0.7773-0.37680.13881.645-0.89360.41910.95140.0059-0.02820.6091-0.11230.770256.300516.612486.3483
432.97992.47472.25372.06491.85621.67430.7539-0.36252.3318-0.66520.30950.59680.2673-0.9561-1.13530.93770.34040.12981.37170.69431.233845.510242.286571.7968
446.88140.2018-3.77215.5628-4.27538.8137-0.44730.45310.6228-0.65921.07970.53690.8653-1.116-0.60330.6763-0.1004-0.11860.98310.21030.549960.354543.520355.897
457.86-2.99980.46768.3578-5.18623.4288-0.6816-0.1880.01390.26850.96370.93510.0222-0.3603-0.3090.6612-0.07990.01640.73070.19120.900356.384640.665265.7702
462.33162.40590.14773.4748-0.34890.2712-0.12721.81050.7113-1.3890.7380.77460.7417-1.6844-0.76521.0335-0.1056-0.10851.46180.41120.766358.524942.196549.1918
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 381 through 496 )A0
2X-RAY DIFFRACTION2chain 'A' and (resid 497 through 538 )A0
3X-RAY DIFFRACTION3chain 'A' and (resid 539 through 591 )A0
4X-RAY DIFFRACTION4chain 'B' and (resid 381 through 410 )B0
5X-RAY DIFFRACTION5chain 'B' and (resid 411 through 455 )B0
6X-RAY DIFFRACTION6chain 'B' and (resid 456 through 467 )B0
7X-RAY DIFFRACTION7chain 'B' and (resid 468 through 484 )B0
8X-RAY DIFFRACTION8chain 'B' and (resid 485 through 496 )B0
9X-RAY DIFFRACTION9chain 'B' and (resid 497 through 528 )B0
10X-RAY DIFFRACTION10chain 'B' and (resid 529 through 561 )B0
11X-RAY DIFFRACTION11chain 'B' and (resid 562 through 576 )B0
12X-RAY DIFFRACTION12chain 'B' and (resid 577 through 591 )B0
13X-RAY DIFFRACTION13chain 'H' and (resid 1 through 25 )H0
14X-RAY DIFFRACTION14chain 'H' and (resid 26 through 60 )H0
15X-RAY DIFFRACTION15chain 'H' and (resid 61 through 83 )H0
16X-RAY DIFFRACTION16chain 'H' and (resid 84 through 123 )H0
17X-RAY DIFFRACTION17chain 'H' and (resid 124 through 157 )H0
18X-RAY DIFFRACTION18chain 'H' and (resid 158 through 169 )H0
19X-RAY DIFFRACTION19chain 'H' and (resid 170 through 202 )H0
20X-RAY DIFFRACTION20chain 'H' and (resid 203 through 227 )H0
21X-RAY DIFFRACTION21chain 'L' and (resid 1 through 18 )L0
22X-RAY DIFFRACTION22chain 'L' and (resid 19 through 38 )L0
23X-RAY DIFFRACTION23chain 'L' and (resid 39 through 75 )L0
24X-RAY DIFFRACTION24chain 'L' and (resid 76 through 90 )L0
25X-RAY DIFFRACTION25chain 'L' and (resid 91 through 102 )L0
26X-RAY DIFFRACTION26chain 'L' and (resid 103 through 113 )L0
27X-RAY DIFFRACTION27chain 'L' and (resid 114 through 128 )L0
28X-RAY DIFFRACTION28chain 'L' and (resid 129 through 163 )L0
29X-RAY DIFFRACTION29chain 'L' and (resid 164 through 197 )L0
30X-RAY DIFFRACTION30chain 'L' and (resid 198 through 213 )L0
31X-RAY DIFFRACTION31chain 'D' and (resid 1 through 40 )D0
32X-RAY DIFFRACTION32chain 'D' and (resid 41 through 73 )D0
33X-RAY DIFFRACTION33chain 'D' and (resid 74 through 99 )D0
34X-RAY DIFFRACTION34chain 'D' and (resid 100 through 123 )D0
35X-RAY DIFFRACTION35chain 'D' and (resid 124 through 147 )D0
36X-RAY DIFFRACTION36chain 'D' and (resid 148 through 189 )D0
37X-RAY DIFFRACTION37chain 'D' and (resid 190 through 228 )D0
38X-RAY DIFFRACTION38chain 'E' and (resid 1 through 18 )E0
39X-RAY DIFFRACTION39chain 'E' and (resid 19 through 38 )E0
40X-RAY DIFFRACTION40chain 'E' and (resid 39 through 75 )E0
41X-RAY DIFFRACTION41chain 'E' and (resid 76 through 90 )E0
42X-RAY DIFFRACTION42chain 'E' and (resid 91 through 102 )E0
43X-RAY DIFFRACTION43chain 'E' and (resid 103 through 113 )E0
44X-RAY DIFFRACTION44chain 'E' and (resid 114 through 150 )E0
45X-RAY DIFFRACTION45chain 'E' and (resid 155 through 174 )E0
46X-RAY DIFFRACTION46chain 'E' and (resid 175 through 213 )E0

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