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- PDB-9z9f: Structure of FabS1CE2_ER-2a in complex with the extracellular reg... -

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Basic information

Entry
Database: PDB / ID: 9z9f
TitleStructure of FabS1CE2_ER-2a in complex with the extracellular region of EGFR
Components
  • Epidermal growth factor receptor
  • heavy chain
  • light chain
KeywordsSIGNALING PROTEIN / epidermal growth factor receptor / high-affinity antibody / dimerization arm / inhibition
Function / homology
Function and homology information


multivesicular body, internal vesicle lumen / negative regulation of cardiocyte differentiation / Shc-EGFR complex / positive regulation of protein kinase C signaling / Inhibition of Signaling by Overexpressed EGFR / epidermal growth factor receptor activity / EGFR interacts with phospholipase C-gamma / epidermal growth factor binding / regulation of peptidyl-tyrosine phosphorylation / response to UV-A ...multivesicular body, internal vesicle lumen / negative regulation of cardiocyte differentiation / Shc-EGFR complex / positive regulation of protein kinase C signaling / Inhibition of Signaling by Overexpressed EGFR / epidermal growth factor receptor activity / EGFR interacts with phospholipase C-gamma / epidermal growth factor binding / regulation of peptidyl-tyrosine phosphorylation / response to UV-A / ubiquitin-dependent endocytosis / PLCG1 events in ERBB2 signaling / morphogenesis of an epithelial fold / PTK6 promotes HIF1A stabilization / ERBB2 Activates PTK6 Signaling / digestive tract morphogenesis / ERBB2-EGFR signaling pathway / Signaling by EGFR / eyelid development in camera-type eye / intracellular vesicle / cerebral cortex cell migration / ERBB2 Regulates Cell Motility / Developmental Lineage of Mammary Gland Myoepithelial Cells / protein insertion into membrane / protein tyrosine kinase activator activity / Signaling by ERBB4 / Respiratory syncytial virus (RSV) attachment and entry / negative regulation of epidermal growth factor receptor signaling pathway / PI3K events in ERBB2 signaling / hair follicle development / positive regulation of phosphorylation / positive regulation of peptidyl-serine phosphorylation / MAP kinase kinase kinase activity / Estrogen-dependent nuclear events downstream of ESR-membrane signaling / embryonic placenta development / GAB1 signalosome / salivary gland morphogenesis / xenobiotic transport / positive regulation of G1/S transition of mitotic cell cycle / positive regulation of epidermal growth factor receptor signaling pathway / Signaling by ERBB2 / TFAP2 (AP-2) family regulates transcription of growth factors and their receptors / transmembrane receptor protein tyrosine kinase activity / GRB2 events in EGFR signaling / SHC1 events in EGFR signaling / EGFR Transactivation by Gastrin / epithelial cell proliferation / GRB2 events in ERBB2 signaling / SHC1 events in ERBB2 signaling / basal plasma membrane / ossification / cellular response to epidermal growth factor stimulus / positive regulation of DNA replication / positive regulation of epithelial cell proliferation / positive regulation of DNA repair / Signal transduction by L1 / positive regulation of protein localization to plasma membrane / cellular response to estradiol stimulus / phosphatidylinositol 3-kinase/protein kinase B signal transduction / cellular response to amino acid stimulus / sperm end piece / NOTCH3 Activation and Transmission of Signal to the Nucleus / clathrin-coated endocytic vesicle membrane / Signaling by ERBB2 TMD/JMD mutants / EGFR downregulation / receptor protein-tyrosine kinase / Constitutive Signaling by EGFRvIII / negative regulation of protein catabolic process / cell-cell adhesion / Signaling by ERBB2 ECD mutants / Signaling by ERBB2 KD Mutants / positive regulation of protein phosphorylation / positive regulation of miRNA transcription / positive regulation of fibroblast proliferation / cell morphogenesis / epidermal growth factor receptor signaling pathway / ruffle membrane / kinase binding / Downregulation of ERBB2 signaling / Constitutive Signaling by Aberrant PI3K in Cancer / neuron differentiation / HCMV Early Events / actin filament binding / cell junction / transmembrane signaling receptor activity / PIP3 activates AKT signaling / positive regulation of canonical Wnt signaling pathway / Cargo recognition for clathrin-mediated endocytosis / Constitutive Signaling by Ligand-Responsive EGFR Cancer Variants / Clathrin-mediated endocytosis / ATPase binding / PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling / sperm principal piece / virus receptor activity / RAF/MAP kinase cascade / positive regulation of cell growth / protein tyrosine kinase activity / double-stranded DNA binding / sperm midpiece / early endosome membrane
Similarity search - Function
: / Epidermal growth factor receptor transmembrane-juxtamembrane segment / Tyrosine protein kinase, EGF/ERB/XmrK receptor / Growth factor receptor domain 4 / Growth factor receptor domain IV / Receptor L-domain / Furin-like cysteine-rich domain / Receptor L-domain superfamily / Furin-like cysteine rich region / Receptor L domain ...: / Epidermal growth factor receptor transmembrane-juxtamembrane segment / Tyrosine protein kinase, EGF/ERB/XmrK receptor / Growth factor receptor domain 4 / Growth factor receptor domain IV / Receptor L-domain / Furin-like cysteine-rich domain / Receptor L-domain superfamily / Furin-like cysteine rich region / Receptor L domain / Furin-like repeat / Furin-like repeats / Growth factor receptor cysteine-rich domain superfamily / : / Tyrosine-protein kinase, catalytic domain / Tyrosine kinase, catalytic domain / Tyrosine protein kinases specific active-site signature. / Tyrosine-protein kinase, active site / Protein tyrosine and serine/threonine kinase / Serine-threonine/tyrosine-protein kinase, catalytic domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily
Similarity search - Domain/homology
DI(HYDROXYETHYL)ETHER / Epidermal growth factor receptor
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.06 Å
AuthorsMallette, E. / Singer, A.U. / Bruce, H.A. / Blazer, L.L. / Adams, J.J. / Suits, M.D.L. / Sidhu, S.S.
Funding support Canada, 2items
OrganizationGrant numberCountry
Canadian Institutes of Health Research (CIHR)MOP-93725 Canada
Canadian Institutes of Health Research (CIHR)MOP-136944 Canada
CitationJournal: Protein Sci. / Year: 2026
Title: Dual targeting of inhibitory EGFR epitopes with synthetic antibodies in therapeutic-resistant cancers.
Authors: Adams, J.J. / Mallette, E. / London, M. / Liang, R.J. / van Dyk, D. / Pavlovic, Z. / Pot, I. / Geyer, C.R. / Bruce, H.A. / Blazer, L.L. / Hokanson, C.A. / Suits, M.D.L. / Singer, A.U. / Sidhu, S.S.
History
DepositionNov 18, 2025Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 3, 2026Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: heavy chain
B: light chain
C: heavy chain
D: light chain
G: Epidermal growth factor receptor
K: Epidermal growth factor receptor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)238,31430
Polymers235,6926
Non-polymers2,62324
Water18010
1
A: heavy chain
B: light chain
K: Epidermal growth factor receptor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)119,63718
Polymers117,8463
Non-polymers1,79115
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: heavy chain
D: light chain
G: Epidermal growth factor receptor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)118,67712
Polymers117,8463
Non-polymers8319
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)66.533, 113.846, 118.767
Angle α, β, γ (deg.)114.160, 95.240, 104.880
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails (eV)
d_1ens_1(chain "A" and (resid 2 through 42 or (resid 43...
d_2ens_1(chain "C" and (resid 2 through 104 or (resid 105...
d_1ens_2(chain "B" and (resid 2 through 99 or resid 101...
d_2ens_2(chain "D" and (resid 2 through 99 or resid 101 through 212))
d_1ens_3(chain "G" and (resid 3 through 292 or (resid 293...
d_2ens_3(chain "K" and ((resid 3 and (name N or name...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11ens_1VALVALHISHISAA2 - 1052 - 105
d_12ens_1SERSERLEULEUAA107 - 194107 - 194
d_13ens_1SERSERCYSCYSAA196 - 232196 - 232
d_21ens_1VALVALHISHISCC2 - 1052 - 105
d_22ens_1SERSERLEULEUCC107 - 194107 - 194
d_23ens_1SERSERCYSCYSCC196 - 232196 - 232
d_11ens_2ILEILEGLYGLYBB2 - 992 - 99
d_12ens_2GLYGLYCYSCYSBB101 - 212101 - 212
d_21ens_2ILEILEGLYGLYDD2 - 992 - 99
d_22ens_2GLYGLYCYSCYSDD101 - 212101 - 212
d_11ens_3GLUGLUGLYGLYGE3 - 4043 - 404
d_12ens_3THRTHRPROPROGE406 - 613406 - 613
d_13ens_3NAGNAGNAGNAGEG1
d_14ens_3NAGNAGNAGNAGEG2
d_15ens_3NAGNAGNAGNAGGW701
d_21ens_3GLUGLUGLNGLNKF3 - 3843 - 384
d_22ens_3TRPTRPGLYGLYKF386 - 404386 - 404
d_23ens_3THRTHRHISHISKF406 - 409406 - 409
d_24ens_3PHEPHEALAALAKF412 - 477412 - 477
d_25ens_3GLNGLNARGARGKF480 - 503480 - 503
d_26ens_3SERSERGLYGLYKF506 - 520506 - 520
d_27ens_3PROPROMETMETKF522 - 543522 - 543
d_28ens_3ILEILEPROPROKF545 - 572545 - 572
d_29ens_3GLYGLYHISHISKF574 - 591574 - 591
d_210ens_3CYSCYSPROPROKF593 - 613593 - 613
d_211ens_3NAGNAGNAGNAGKZ702
d_212ens_3NAGNAGNAGNAGKAA703
d_213ens_3NAGNAGNAGNAGKBA704

NCS ensembles :
ID
ens_1
ens_2
ens_3

NCS oper:
IDCodeMatrixVector
1given(0.999047290226, -0.00118419046823, 0.0436246442348), (0.00270573735285, -0.99602784253, -0.0890012128637), (0.0435567546662, 0.0890344573678, -0.995075712961)2.54951666502, -64.9798562599, 62.546325105
2given(0.999952751964, 0.00902580842807, -0.00360951835492), (0.00873674298006, -0.997266933141, -0.0733643877197), (-0.00426182620893, 0.0733293859623, -0.997298670405)4.83950659771, -65.9148468332, 61.1532126303
3given(0.99990648431, -0.0132780262819, -0.00327363004365), (-0.0114413837891, -0.943351325617, 0.331598207465), (-0.00749115295501, -0.331529742972, -0.943415026461)-5.24822332502, -70.2469016309, 48.2492133513

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Components

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Protein , 1 types, 2 molecules GK

#3: Protein Epidermal growth factor receptor / Proto-oncogene c-ErbB-1 / Receptor tyrosine-protein kinase erbB-1


Mass: 69133.773 Da / Num. of mol.: 2 / Mutation: residue 25-645
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: EGFR, ERBB, ERBB1, HER1 / Plasmid: PSDCSTA
Details (production host): N-terminal trypsinogen-2 signal peptide and a C-terminal thrombin cleavage site followed by a hexahistidine tag
Cell line (production host): Expi293 / Production host: Homo sapiens (human)
References: UniProt: P00533, receptor protein-tyrosine kinase

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Antibody , 2 types, 4 molecules ACBD

#1: Antibody heavy chain


Mass: 25513.482 Da / Num. of mol.: 2 / Mutation: K133Q and E164G
Source method: isolated from a genetically manipulated source
Details: FAB PRODUCED BY RANDOMIZATION OF CDR REGIONS AND SELECTED BY PHAGE DISPLAY.
Source: (gene. exp.) Homo sapiens (human) / Plasmid: PSDCSTA / Cell line (production host): Expi293 / Production host: Homo sapiens (human)
#2: Antibody light chain


Mass: 23198.660 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Details: FAB PRODUCED BY RANDOMIZATION OF CDR REGIONS AND SELECTED BY PHAGE DISPLAY.
Source: (gene. exp.) Homo sapiens (human) / Plasmid: PSDCSTA / Cell line (production host): Expi293 / Production host: Homo sapiens (human)

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Sugars , 2 types, 8 molecules

#4: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}LINUCSPDB-CARE
#9: 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.: 7 / 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 , 5 types, 26 molecules

#5: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C4H10O3
#6: Chemical
ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: Na
#7: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Cl
#8: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C2H6O2
#10: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 10 / Source method: isolated from a natural source / Formula: H2O

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Details

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: 3.28 Å3/Da / Density % sol: 62.51 %
Crystal growTemperature: 295 K / Method: vapor diffusion, sitting drop
Details: 0.1 M ammonium citrate, 0.1 M bis-tris propane pH 6.5, cryoprotected with this buffer plus 30% ethylene glycol
PH range: 6.5 / Temp details: room temperature

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: NSLS-II / Beamline: 17-ID-1 / Wavelength: 0.919716 Å
DetectorType: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Jul 18, 2025 / Details: mirrors
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.919716 Å / Relative weight: 1
ReflectionResolution: 3.06→34.66 Å / Num. obs: 55114 / % possible obs: 99.2 % / Redundancy: 3.6 % / Biso Wilson estimate: 43.7 Å2 / CC1/2: 0.975 / Rmerge(I) obs: 0.241 / Rpim(I) all: 0.148 / Rrim(I) all: 0.284 / Net I/σ(I): 4.4
Reflection shellResolution: 3.06→3.25 Å / Redundancy: 3.7 % / Rmerge(I) obs: 1.468 / Mean I/σ(I) obs: 0.9 / Num. unique obs: 8023 / CC1/2: 0.409 / Rpim(I) all: 0.891 / Rrim(I) all: 1.721 / % possible all: 98.9

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
PHENIX1.20.1_4487refinement
autoPROCdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.06→34.42 Å / SU ML: 0.4002 / Cross valid method: FREE R-VALUE / σ(F): 1.98 / Phase error: 24.6901
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2487 2483 4.81 %
Rwork0.2127 49149 -
obs0.2144 51632 91.4 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 64.34 Å2
Refinement stepCycle: LAST / Resolution: 3.06→34.42 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15593 0 160 10 15763
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003316142
X-RAY DIFFRACTIONf_angle_d0.677421969
X-RAY DIFFRACTIONf_chiral_restr0.04932493
X-RAY DIFFRACTIONf_plane_restr0.00662864
X-RAY DIFFRACTIONf_dihedral_angle_d16.72455686
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS1.37719664665
ens_2d_2BBX-RAY DIFFRACTIONTorsion NCS0.966271527388
ens_3d_2EGX-RAY DIFFRACTIONTorsion NCS4.11028494091
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.06-3.120.3602670.28341485X-RAY DIFFRACTION49.63
3.12-3.180.3047930.27041800X-RAY DIFFRACTION60.08
3.18-3.250.3136990.27072004X-RAY DIFFRACTION67.49
3.25-3.330.29381250.27132511X-RAY DIFFRACTION82.38
3.33-3.410.32451720.26712747X-RAY DIFFRACTION94.37
3.41-3.50.30041440.24912980X-RAY DIFFRACTION98.77
3.5-3.610.29721620.24932914X-RAY DIFFRACTION99.1
3.61-3.720.28391510.2423012X-RAY DIFFRACTION99.22
3.72-3.850.25321440.22692936X-RAY DIFFRACTION99.16
3.85-4.010.26141570.21342941X-RAY DIFFRACTION99.23
4.01-4.190.23751550.20632984X-RAY DIFFRACTION99.27
4.19-4.410.23081630.18762955X-RAY DIFFRACTION99.36
4.41-4.690.20611770.16942926X-RAY DIFFRACTION99.36
4.69-5.050.19681380.17283019X-RAY DIFFRACTION99.43
5.05-5.550.191220.18552985X-RAY DIFFRACTION99.55
5.55-6.350.2581330.20972971X-RAY DIFFRACTION99.61
6.35-7.990.25731350.21482997X-RAY DIFFRACTION99.75
7.99-34.420.19321460.17352982X-RAY DIFFRACTION99.49
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
11.541891048-0.3900929457950.07463380728983.165535099070.8139510121040.602424941671-0.06429356189290.00960746697641-0.3608355451440.164022054509-0.0334888882450.516204982959-0.230896894856-0.2516585587630.07413475100330.298574240970.131171121267-0.002523463052430.03986655451230.03884285663040.42076048241-19.0247253304-51.914413166135.3911438537
22.83898663904-0.396429281774-3.132878459187.89133418978-1.234532638643.811008067590.0146256488077-0.768414525517-0.1197680554051.885640170420.0892759916714-0.958504927118-0.35981668080.549204960732-0.03948421154870.5305354550690.157538078989-0.1429664162080.0175106719710.1347420817580.506675372512-5.96499029832-45.700649176544.8608192867
31.032190170090.50864928798-0.2173063814270.6589036113660.1562152996841.84311755169-0.121980945389-0.1201899913690.423588067795-0.137933457567-0.00391650000507-0.1313647105540.357567690756-0.1306925863450.0722675510008-0.1629953970640.166747326481-0.1785703310570.0534497616330.01196207000140.485451676879-7.73145698195-83.263397228630.2434434613
44.79325073174-2.03480621072-0.5734827200283.37115025520.3270794630162.53787000195-0.781796591583-0.160734923856-0.3770162388010.2906526449130.2402002579310.3635362896710.3410038875580.2652912443850.2532191399810.03883297965950.02595810120160.1007640792280.156663021005-0.009437832288350.548594214871-10.353627199-91.366793317535.3226053326
51.39607995033-0.829893683053-0.0931790310172.340399523391.153076814631.18364512222-0.01336899888090.170903328737-0.1507234541650.0145370275870.140675257885-0.730789680753-0.09414538462630.244682935591-0.05590471624840.196810424148-0.0258099805636-0.09406963245620.1217013994830.02646098349640.4290362028845.47439249145-53.302978466535.2001013507
62.49470088440.720842054768-1.357350237521.88927243936-1.413379873471.36604221653-0.2458979775820.6757064441540.487032364214-0.3313278396980.201941526142-0.001829220848370.229366419455-0.0862979841948-0.1041597917360.01065059797590.163051882869-0.1495814109470.06791216733750.06043878977460.5299546436170.625502608581-85.022643767519.5678502786
74.35552477490.05519955878140.8972323686790.727993682325-0.4049404338021.772703848320.003764301003370.295177491479-0.4095337482570.0242159085031-0.0603562354677-0.3396596371920.254993458133-0.108236171693-0.03818616389960.01203860222260.0610275565166-0.06786339333560.1997813863860.04860549337760.5812426795953.00955754021-86.846569450920.0371834893
80.90993067467-0.01958243623420.24098335832.513995047350.8524891501291.734554559780.1851997274510.1120760660890.1444963928420.04209572890090.02288277294440.2318508535790.400570991127-0.104654304694-0.1014588244040.195879337408-0.06056702051240.06226969582570.1099349598820.04856299258750.324570293407-13.2743941783-17.110444723321.0776729785
92.117888529750.636765833402-0.2573246822343.979924433130.3655325742283.50279872296-0.365476113721-0.179511005942-0.00702853570508-0.1000436483290.0727748251707-0.2161259116550.5713111845830.04637230528060.1849031672170.290392771839-0.06648766850340.0543913334747-0.0136387703120.1221980777090.45825304636-11.3447452344-19.011052242618.5332363788
100.523945070182-0.3199991667540.08856470502760.775541032382-0.6204019549040.859713499339-0.141987729635-0.07151878555840.1613686033520.01390113307280.07473541132580.2408340350250.105071473764-0.05388833511930.0495633513105-0.0696338735379-0.0218379717259-0.04643578303680.1689647433510.02795237841810.340301618549-4.452056689835.0256382566923.7308342686
111.88263461022-0.1385582685940.8395329849181.156950672960.4520536295611.26834772145-0.1929070977580.278292012406-0.0161594756666-0.1517136377610.0718952523412-0.0121580692357-0.238900689798-0.0124689010556-0.05741719963770.04686900260680.1110624433450.06675242987110.133124553637-0.02914544582050.561146022502-3.8292464430518.255848860121.2387404539
121.230489419230.547728336308-0.2500056969672.024169265930.6044581006321.17142176841-0.036064379277-0.1317627150450.1896132253720.01189902020610.0585136694367-0.6260074020160.3046413862020.118922886592-0.01011698045990.2680097437410.1209978999890.01531235683350.06514789305530.04813345252510.4320524236519.51686039761-15.059258624122.4762211543
131.44358891802-0.06325314412850.2457587452391.84636976467-0.2079996675752.83182214917-0.0893929476957-0.259893021388-0.2298083695250.1561417830870.054466429578-0.138560545464-0.003656065389270.08000844150430.03532138408480.1164847721590.001628064283660.0245247701670.1554856574650.03474779901830.3896203700374.3857011246616.373120532933.884901878
145.22983960607-3.30297042138-2.525825377082.115556716961.271698237785.06846422633-0.123660629531-0.2373858943510.414405606360.345073912793-0.104289197348-0.520008608711-0.5579029085060.1224148240140.1863889451560.2189579498220.000608927931047-0.1064954988540.1738342853460.0394883891350.60974246216910.396088393323.171827331238.2611997231
152.33973404662-0.0118891495622-0.1481145980722.08436187201-0.7132135589653.67094288928-0.05820451680820.919231704495-0.148984082751-1.01466339260.1281057691270.2432682609410.369449272303-0.562296179625-0.06054802893961.0274978461-0.230352089835-0.07337151591640.9048583533260.006606930071950.28991332243-12.0012411587-29.6615563804-24.3732534648
167.43504829651-1.52438792030.6665286499633.01227362605-0.8715037751832.189986791250.05295459333161.46783970326-0.423707231544-0.609938518066-0.499536101687-0.07201456423480.3122956880810.03741324238290.0185179048160.721389593157-0.1194331220150.04376009292610.07587535297560.04299111524720.265354462355-6.54202693867-36.31997884274.03338679564
172.46287873011-0.2041197654960.4985013005342.60106143683-0.4768699530182.927731671450.466548683153-0.228189394557-0.2258263417810.002250241201320.00887940923924-0.0875258134430.4071173157940.377922491985-0.4774891420270.727195706395-0.02852308069390.009891456171841.26755852530.1331017770850.82254657506925.6519367648-61.2850539251-2.74304197351
180.699721844506-0.1665861385030.6554658508990.612335909799-0.2818472343461.329431387320.3861917227490.873855240713-0.010262795191-0.668913911158-0.460960226971-0.3775111754740.3268049653681.368869130350.04031568853221.266226317230.02889336913310.2461488327441.80631054647-0.01956482068330.84885066161330.8203547465-46.645052961-29.2286323409
190.6209689794760.0734208268326-0.0938635593191.96761555863-2.217912952553.803577387380.0203124419336-0.491034630317-0.03146756093130.678365619815-0.002027076671920.155622270001-0.361226565879-0.304373361155-0.03463539472560.701881447183-0.02679954921490.02481390964160.5727597897620.01558433670770.270797222771-16.3958628788-47.798681507976.7628238
207.881310955225.043443962313.033387412393.363427198452.206110920541.617992686160.121306455136-0.190906134865-0.2148766129650.431759915982-0.137100279142-0.6813493118720.03234595124070.4051397020660.01712918501580.887655166822-0.0624173785249-0.3269131947730.901232454889-0.03256209462890.7212418330419.07439418231-23.207839459566.9694109585
211.362770828780.3172252550030.3880464315043.30547469652-2.568404823233.02857247330.11062401418-0.1586697183510.2028241420770.24892786203-0.694916408081-0.490820889008-0.1559011749320.7836413632220.5684142048670.7127349790310.0430972460252-0.02584046586150.948930666098-0.04676509762540.3620823141826.4523367302-27.488940486785.4327824874
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 2 through 91 )AA2 - 911 - 90
22chain 'A' and (resid 92 through 123 )AA92 - 12391 - 122
33chain 'A' and (resid 124 through 204 )AA124 - 204123 - 203
44chain 'A' and (resid 205 through 232 )AA205 - 232204 - 231
55chain 'B' and (resid 1 through 113 )BD1 - 1131 - 113
66chain 'B' and (resid 114 through 163 )BD114 - 163114 - 163
77chain 'B' and (resid 164 through 212 )BD164 - 212164 - 212
88chain 'C' and (resid 1 through 67 )CG1 - 671 - 67
99chain 'C' and (resid 68 through 109 )CG68 - 10968 - 109
1010chain 'C' and (resid 110 through 161 )CG110 - 161110 - 161
1111chain 'C' and (resid 162 through 232 )CG162 - 232162 - 232
1212chain 'D' and (resid 1 through 113 )DH1 - 1131 - 113
1313chain 'D' and (resid 114 through 188 )DH114 - 188114 - 188
1414chain 'D' and (resid 189 through 212 )DH189 - 212189 - 212
1515chain 'G' and (resid 3 through 227 )GI3 - 2271 - 225
1616chain 'G' and (resid 228 through 288 )GI228 - 288226 - 286
1717chain 'G' and (resid 289 through 432 )GI289 - 432287 - 427
1818chain 'G' and (resid 433 through 614 )GI433 - 614428 - 601
1919chain 'K' and (resid 1 through 268 )KM1 - 2681 - 268
2020chain 'K' and (resid 269 through 344 )KM269 - 344269 - 344
2121chain 'K' and (resid 345 through 613 )KM345 - 613345 - 613

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