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- PDB-7n3t: TrkA ECD complex with designed miniprotein ligand -

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Basic information

Entry
Database: PDB / ID: 7n3t
TitleTrkA ECD complex with designed miniprotein ligand
Components
  • Designed TrkA-binding miniprotein
  • High affinity nerve growth factor receptor
KeywordsDE NOVO PROTEIN / complex
Function / homology
Function and homology information


neurotrophin p75 receptor binding / behavioral response to formalin induced pain / olfactory nerve development / TRKA activation by NGF / PLC-gamma1 signalling / Signalling to STAT3 / programmed cell death involved in cell development / response to hydrostatic pressure / neurotrophin receptor activity / mechanoreceptor differentiation ...neurotrophin p75 receptor binding / behavioral response to formalin induced pain / olfactory nerve development / TRKA activation by NGF / PLC-gamma1 signalling / Signalling to STAT3 / programmed cell death involved in cell development / response to hydrostatic pressure / neurotrophin receptor activity / mechanoreceptor differentiation / nerve growth factor receptor activity / neurotrophin binding / GPI-linked ephrin receptor activity / nerve growth factor signaling pathway / axonogenesis involved in innervation / nerve growth factor binding / Sertoli cell development / Retrograde neurotrophin signalling / sympathetic nervous system development / NGF-independant TRKA activation / Signalling to p38 via RIT and RIN / ARMS-mediated activation / positive regulation of programmed cell death / positive regulation of Ras protein signal transduction / positive regulation of synapse assembly / PI3K/AKT activation / peptidyl-tyrosine autophosphorylation / Frs2-mediated activation / neurotrophin TRK receptor signaling pathway / detection of temperature stimulus involved in sensory perception of pain / positive regulation of GTPase activity / response to electrical stimulus / Signalling to RAS / detection of mechanical stimulus involved in sensory perception of pain / neuron development / positive regulation of synaptic transmission, glutamatergic / response to axon injury / transmembrane receptor protein tyrosine kinase activity / axon guidance / cell surface receptor protein tyrosine kinase signaling pathway / peptidyl-tyrosine phosphorylation / B cell differentiation / response to nutrient levels / positive regulation of NF-kappaB transcription factor activity / positive regulation of neuron projection development / circadian rhythm / receptor protein-tyrosine kinase / cellular response to nerve growth factor stimulus / cellular response to nicotine / kinase binding / recycling endosome membrane / positive regulation of angiogenesis / neuron projection development / late endosome membrane / late endosome / protein autophosphorylation / protein tyrosine kinase activity / neuron apoptotic process / early endosome membrane / spermatogenesis / negative regulation of neuron apoptotic process / learning or memory / early endosome / positive regulation of ERK1 and ERK2 cascade / protein phosphorylation / positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / receptor complex / endosome membrane / response to xenobiotic stimulus / negative regulation of cell population proliferation / axon / neuronal cell body / dendrite / negative regulation of apoptotic process / cell surface / protein homodimerization activity / protein-containing complex / mitochondrion / ATP binding / identical protein binding / plasma membrane
Similarity search - Function
High affinity nerve growth factor receptor NTRK1 / Tyrosine kinase receptor A, transmembrane domain / Tyrosine kinase receptor A trans-membrane domain / Growth factor receptor NTRK / Growth factor receptor NTRK, leucine rich repeat C-terminal / Leucine rich repeat C-terminal motif / Cysteine-rich flanking region, C-terminal / Leucine rich repeat C-terminal domain / Leucine-rich repeat, LRR (right-handed beta-alpha superhelix) / Ribonuclease Inhibitor ...High affinity nerve growth factor receptor NTRK1 / Tyrosine kinase receptor A, transmembrane domain / Tyrosine kinase receptor A trans-membrane domain / Growth factor receptor NTRK / Growth factor receptor NTRK, leucine rich repeat C-terminal / Leucine rich repeat C-terminal motif / Cysteine-rich flanking region, C-terminal / Leucine rich repeat C-terminal domain / Leucine-rich repeat, LRR (right-handed beta-alpha superhelix) / Ribonuclease Inhibitor / Tyrosine-protein kinase, receptor class II, conserved site / Receptor tyrosine kinase class II signature. / Alpha-Beta Horseshoe / Leucine rich repeat / : / Leucine-rich repeat / Leucine-rich repeat domain superfamily / Tyrosine-protein kinase, catalytic domain / Tyrosine kinase, catalytic domain / Tyrosine protein kinases specific active-site signature. / Tyrosine-protein kinase, active site / Serine-threonine/tyrosine-protein kinase, catalytic domain / Protein tyrosine and serine/threonine kinase / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Immunoglobulin-like fold / Protein kinase domain profile. / Protein kinase domain / Immunoglobulins / Protein kinase-like domain superfamily / Immunoglobulin-like / Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
High affinity nerve growth factor receptor
Similarity search - Component
Biological speciesHomo sapiens (human)
Synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.84 Å
AuthorsJude, K.M. / Cao, L. / Garcia, K.C.
CitationJournal: Nature / Year: 2022
Title: Design of protein-binding proteins from the target structure alone.
Authors: Cao, L. / Coventry, B. / Goreshnik, I. / Huang, B. / Sheffler, W. / Park, J.S. / Jude, K.M. / Markovic, I. / Kadam, R.U. / Verschueren, K.H.G. / Verstraete, K. / Walsh, S.T.R. / Bennett, N. ...Authors: Cao, L. / Coventry, B. / Goreshnik, I. / Huang, B. / Sheffler, W. / Park, J.S. / Jude, K.M. / Markovic, I. / Kadam, R.U. / Verschueren, K.H.G. / Verstraete, K. / Walsh, S.T.R. / Bennett, N. / Phal, A. / Yang, A. / Kozodoy, L. / DeWitt, M. / Picton, L. / Miller, L. / Strauch, E.M. / DeBouver, N.D. / Pires, A. / Bera, A.K. / Halabiya, S. / Hammerson, B. / Yang, W. / Bernard, S. / Stewart, L. / Wilson, I.A. / Ruohola-Baker, H. / Schlessinger, J. / Lee, S. / Savvides, S.N. / Garcia, K.C. / Baker, D.
History
DepositionJun 1, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 20, 2022Provider: repository / Type: Initial release
Revision 1.1Jun 1, 2022Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.title
Revision 1.2Oct 18, 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: High affinity nerve growth factor receptor
B: High affinity nerve growth factor receptor
C: Designed TrkA-binding miniprotein
D: Designed TrkA-binding miniprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)103,40439
Polymers97,7774
Non-polymers5,62735
Water4,684260
1
A: High affinity nerve growth factor receptor
C: Designed TrkA-binding miniprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,59319
Polymers48,8882
Non-polymers2,70417
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: High affinity nerve growth factor receptor
D: Designed TrkA-binding miniprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,81120
Polymers48,8882
Non-polymers2,92318
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)42.203, 205.695, 72.569
Angle α, β, γ (deg.)90.000, 106.422, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 35 through 49 or resid 51...
d_2ens_1(chain "B" and (resid 35 through 49 or resid 51...
d_1ens_2(chain "C" and (resid 1 through 22 or resid 24 through 59))
d_2ens_2(chain "D" and (resid 1 through 22 or resid 24 through 59))

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1SERARGA1 - 15
d_12ens_1THRPROA17 - 167
d_13ens_1SERPROA170 - 348
d_14ens_1NAGNAGB
d_15ens_1NAGNAGC
d_16ens_1NAGNAGD
d_17ens_1NAGNAGE
d_18ens_1NAGNAGF
d_19ens_1NAGNAGG
d_110ens_1NAGNAGH
d_111ens_1EDOEDOI
d_112ens_1EDOEDOJ
d_113ens_1EDOEDOO
d_21ens_1SERARGP1 - 15
d_22ens_1THRPROP17 - 346
d_23ens_1NAGNAGQ
d_24ens_1NAGNAGR
d_25ens_1NAGNAGS
d_26ens_1NAGNAGT
d_27ens_1NAGNAGU
d_28ens_1NAGNAGV
d_29ens_1NAGNAGW
d_210ens_1EDOEDOX
d_211ens_1EDOEDOY
d_212ens_1EDOEDOD
d_11ens_2ARGGLUE1 - 22
d_12ens_2LEUARGE24 - 59
d_21ens_2ARGGLUF1 - 22
d_22ens_2LEUARGF24 - 59

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(0.999849710755, -0.015589301546, 0.0075848257337), (-0.0156044793273, -0.999876348969, 0.0019460208509), (0.00755355075632, -0.00206408564126, -0.999969341241)-21.6405110748, -30.5882151468, 41.8392619726
2given(0.999954719666, 0.00725010990729, -0.00616396986934), (0.00727764250683, -0.99996358904, 0.00445606476035), (-0.00613143847402, -0.00450072215738, -0.999971074063)-20.8900369336, -30.5606327798, 41.8304118224

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Components

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Protein , 2 types, 4 molecules ABCD

#1: Protein High affinity nerve growth factor receptor / Neurotrophic tyrosine kinase receptor type 1 / TRK1-transforming tyrosine kinase protein / ...Neurotrophic tyrosine kinase receptor type 1 / TRK1-transforming tyrosine kinase protein / Tropomyosin-related kinase A / Tyrosine kinase receptor / Tyrosine kinase receptor A / Trk-A / gp140trk / p140-TrkA


Mass: 39318.297 Da / Num. of mol.: 2 / Fragment: Extracellular domain, UNP residues 36-382
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: NTRK1, MTC, TRK, TRKA / Production host: Trichoplusia ni (cabbage looper)
References: UniProt: P04629, receptor protein-tyrosine kinase
#2: Protein Designed TrkA-binding miniprotein


Mass: 9570.080 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Synthetic construct (others) / Production host: Escherichia coli (E. coli)

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Sugars , 3 types, 16 molecules

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


Type: oligosaccharide / Mass: 586.542 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2/a4-b1_b4-c1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}LINUCSPDB-CARE
#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
#5: 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.: 14 / 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 , 3 types, 279 molecules

#6: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: C2H6O2
#7: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: SO4
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 260 / 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: 3.25 Å3/Da / Density % sol: 62.2 %
Crystal growTemperature: 295 K / Method: vapor diffusion, sitting drop / pH: 6.2
Details: 0.4 M ammonium sulfate, 0.1 M bis-tris pH 6.2, 16% PEG 3350.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 0.9999 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Feb 28, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9999 Å / Relative weight: 1
ReflectionResolution: 1.84→48.85 Å / Num. obs: 99914 / % possible obs: 98.3 % / Redundancy: 6.9 % / Biso Wilson estimate: 33.74 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.194 / Rpim(I) all: 0.079 / Rrim(I) all: 0.21 / Χ2: 0.98 / Net I/σ(I): 6.7
Reflection shellResolution: 1.84→1.88 Å / Redundancy: 5.8 % / Rmerge(I) obs: 5.786 / Mean I/σ(I) obs: 0.3 / Num. unique obs: 4360 / CC1/2: 0.094 / Rpim(I) all: 2.572 / Rrim(I) all: 6.354 / Χ2: 0.93 / % possible all: 87

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Processing

Software
NameVersionClassification
PHENIX1.19.1_4122+SVNrefinement
XDSMar 15, 2019data reduction
XDSMar 15, 2019data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2ifg

2ifg


Resolution: 1.84→41.36 Å / SU ML: 0.3162 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 30.4688
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2425 2429 2.49 %
Rwork0.2143 95219 -
obs0.215 97648 96.21 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 42.37 Å2
Refinement stepCycle: LAST / Resolution: 1.84→41.36 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6264 0 349 260 6873
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01146731
X-RAY DIFFRACTIONf_angle_d1.14279130
X-RAY DIFFRACTIONf_chiral_restr0.06761078
X-RAY DIFFRACTIONf_plane_restr0.00911168
X-RAY DIFFRACTIONf_dihedral_angle_d13.41412485
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS8.85551698869
ens_2d_2CX-RAY DIFFRACTIONTorsion NCS0.505446253256
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.84-1.880.4286850.38873633X-RAY DIFFRACTION62.43
1.88-1.920.37341470.35035489X-RAY DIFFRACTION93.98
1.92-1.970.37011450.32125665X-RAY DIFFRACTION97.94
1.97-2.020.32451450.31215790X-RAY DIFFRACTION98.69
2.02-2.070.34051440.30745668X-RAY DIFFRACTION98.74
2.07-2.130.33431470.2895732X-RAY DIFFRACTION98.15
2.13-2.20.33071490.27445701X-RAY DIFFRACTION98.02
2.2-2.280.30391470.26045767X-RAY DIFFRACTION99.65
2.28-2.370.30441390.24695775X-RAY DIFFRACTION99.24
2.37-2.480.3031530.24535769X-RAY DIFFRACTION98.73
2.48-2.610.32391460.24795637X-RAY DIFFRACTION97.41
2.61-2.770.30171490.23655763X-RAY DIFFRACTION99.09
2.77-2.990.2491530.22735779X-RAY DIFFRACTION99.41
2.99-3.290.23611450.22075746X-RAY DIFFRACTION98.46
3.29-3.760.23361420.19025744X-RAY DIFFRACTION98.25
3.76-4.740.16091440.15555784X-RAY DIFFRACTION99.03
4.74-41.360.17921490.16885777X-RAY DIFFRACTION98.34
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)
12.387945524311.86563583336-0.8056473008033.49029153461-1.601210996123.374603331960.04602081152060.06096093270260.0862749350614-0.0649444057670.1158620714990.1593954687710.235227257744-0.245683757131-0.1625144463760.316989469322-0.0166369240521-0.01907483404530.3382245787340.07324025317070.303717813334-8.84301041181-41.0681028321-38.954610498
22.435454742511.04363311963-1.88517455174.70775029406-3.416250530245.104461221830.01354144074620.0783444113050.0671957218582-0.09090257890.1752617078050.3181361896770.180176319103-0.156408805366-0.1881245628820.265864050669-0.023629699562-0.02543120674680.2970848295170.02217372181280.238832215101-14.372955935-53.68192594-23.8373850071
35.477600908621.12144745634.246018682912.600180238932.129274810855.595305132370.05319265848-0.00141993704941-0.0886433048471-0.237255311765-0.0275716455735-0.115250040290.0342272184821-0.171375850474-0.005487326615990.295082243452-0.00695123323850.03260131898450.2345235055590.04939830355040.2173749594969.42415533434-58.2283370473-5.08847085675
41.30264581866-0.9776535461780.09067524276652.312923517960.06673802593831.037049529940.0382291565305-0.0755740637378-0.0374001179874-0.0852460085179-0.04760305231180.08461084118930.0760432460611-0.07380008000240.01427854306050.181542724872-0.01232292478350.004411253851090.2430140229040.009728061692970.24025747533714.1371158619-26.244926182815.5222874915
51.95481200666-1.6049861611.750130730584.87136286896-3.260294595543.80988964240.0110419779047-0.0283105298725-0.143438979960.153590935548-0.01246716860030.149416035608-0.0114141130713-0.0346594620937-0.01066919852570.202753930319-0.01176250802390.02096798328930.227132723081-0.03880993107720.247184693283-33.063744743318.38714617271.2056907315
66.65400822675-2.66776286964-3.321870511442.616081600312.1396100743.00585629839-0.121459975702-0.002089635587290.0156328646409-0.02976459763510.137227595896-0.2237728341360.0618352567295-0.00739942021024-0.0209331092320.3056951170070.01581809471880.01138838090720.298188491584-0.02669544250340.258794373362-12.257449175427.969981638647.3503320992
71.249053417970.504211081934-0.2160714656562.278103113740.06593900810231.216338296930.12572937904-0.1333115418610.08094624807630.0682118602751-0.06311059561910.0561803308749-0.0291912297311-0.0585189926369-0.05806812576480.185196801356-0.005917729929730.02137604875370.271933744252-0.01666495608740.26610568863-6.91505098883-4.2481896755326.384018932
83.9647700115-4.67658306335-2.608842723766.92326791691.169336331214.210321840140.1391965408210.554235972638-0.421091385917-0.441228016927-0.128636884330.3931697143180.36286099997-0.63093849079-0.04452079822820.330930158932-0.0416774476513-0.06401274724420.364242650942-0.002078644163960.2177417719372.49970476175-20.9585671764.76060667472
95.08318181819-4.281547243070.3669612846144.18749308194-1.204571209732.187647746030.4344373784931.39567116823-0.575230032974-2.01323240074-0.5782500319180.1809819018710.4023822565260.2447066888390.1050426618180.7898468190170.068107492680.05757898254810.598037795469-0.1025574754710.4075518006788.02384466192-22.8064463799-4.1350268265
105.328015235552.127445002271.398096886543.613604873114.717988905696.6307367321-0.206995528940.4414316236640.356940018405-1.07154993749-0.1828848268120.710266011133-0.0988302148616-0.3139337881020.2767315695290.498970859110.0481676897422-0.02958062567030.3825351847470.07518243615530.379972343158-1.6582981823-9.182354263951.88863376493
113.36672257243-3.83969350417-3.909707707234.699728267484.523179638044.551361404610.2685340414550.1411233763891.19258542517-1.361967633820.0926368690876-0.809867580881-0.9411323784180.156184425669-0.3357641421690.4546591538750.02372564128680.06213656728810.3304160661820.04370509908130.3817623782138.85337748349-10.71471067422.97738073594
122.77823631789-2.45661758601-4.812296019783.376190268995.573769519439.811195389440.2014352824530.8720720324980.388727014025-0.4605639578770.805837572065-1.07203950412-0.1946583587291.44813619514-0.9834161915410.581097630313-0.01506913708550.1608115456940.6835794396540.02185575026380.59130113306817.4198943555-16.844957138-1.74222998756
136.571759396814.909225876111.339167316098.13186029410.09611783003546.195274915790.253281685525-0.2915956167760.4761773732230.650773231691-0.02786986425390.5151732487170.0435928492293-0.560376742384-0.125158829080.2974783389370.01774115183190.06460666624240.318190541752-0.008262124318390.241304351359-18.598035853-9.5427892890137.1290783399
141.302494211272.26574122843-1.145219059494.23119824896-2.214947117741.229513288120.341042202868-1.195762675560.345512970020.974994413548-0.295221126951-0.14184088292-0.710536733116-0.505004825968-0.1090125612640.639856141-0.0610087175735-0.05664142161440.599428915178-0.09105710447570.375563561918-12.8904703533-7.7849110783346.2207146356
154.376367869722.295224157451.261186464756.223530488383.14408951864.09318469950.0891249025223-0.396076469357-0.3958276747190.6305674689-0.08989634920780.1720911590210.158092790167-0.308681154566-0.0143815600320.383324337142-0.004704545942890.00981822275920.3577155309340.1106861193340.261934122992-19.1582127398-20.894514302439.6317318528
165.347819394631.895899137117.150972324198.50420408372.835873283869.578762759450.2484377120630.2643868290.01612968810030.698589845116-0.470441459944-0.525159128755-0.07413022902130.7784473540820.1306270746850.469037747421-0.0971603868931-0.1086679542240.922154701446-0.06166303304550.606433227386-4.33360160341-13.614325454743.1639865483
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11(chain A and resid 35:88)AA35 - 881 - 54
22(chain A and resid 89:192)AA89 - 19255 - 158
33(chain A and resid 193:283)AA193 - 283159 - 249
44(chain A and resid 284:382)AA284 - 382250 - 348
55(chain B and resid 35:190)BP35 - 1901 - 156
66(chain B and resid 191:283)BP191 - 283157 - 247
77(chain B and resid 284:382)BP284 - 382248 - 346
88(chain C and resid 1:17)CC1 - 171 - 17
99(chain C and resid 18:27)CC18 - 2718 - 27
1010(chain C and resid 28:44)CC28 - 4428 - 44
1111(chain C and resid 45:52)CC45 - 5245 - 52
1212(chain C and resid 53:60)CC53 - 6053 - 60
1313(chain D and resid 1:17)DD1 - 171 - 17
1414(chain D and resid 18:27)DD18 - 2718 - 27
1515(chain D and resid 28:52)DD28 - 5228 - 52
1616(chain D and resid 53:59)DD53 - 5953 - 59

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