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- PDB-9haf: Dust mite allergen Der f 7 with computationally designed DerF7_b2... -

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Basic information

Entry
Database: PDB / ID: 9haf
TitleDust mite allergen Der f 7 with computationally designed DerF7_b2 binder
Components
  • DerF7_binder2
  • Mite allergen Der f 7
KeywordsDE NOVO PROTEIN / dust mite / allergen / der f 7 / computational / de novo / binder
Function / homologyMite allergen, group-7 / Mite allergen, group-7 superfamily / Group 7 allergen / extracellular region / Mite allergen Der f 7
Function and homology information
Biological speciesDermatophagoides farinae (American house dust mite)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.99 Å
AuthorsPacesa, M. / Nickel, L. / Correia, B.E.
Funding support Switzerland, 1items
OrganizationGrant numberCountry
Swiss National Science Foundation Switzerland
CitationJournal: bioRxiv / Year: 2024
Title: BindCraft: one-shot design of functional protein binders.
Authors: Martin Pacesa / Lennart Nickel / Christian Schellhaas / Joseph Schmidt / Ekaterina Pyatova / Lucas Kissling / Patrick Barendse / Jagrity Choudhury / Srajan Kapoor / Ana Alcaraz-Serna / ...Authors: Martin Pacesa / Lennart Nickel / Christian Schellhaas / Joseph Schmidt / Ekaterina Pyatova / Lucas Kissling / Patrick Barendse / Jagrity Choudhury / Srajan Kapoor / Ana Alcaraz-Serna / Yehlin Cho / Kourosh H Ghamary / Laura Vinué / Brahm J Yachnin / Andrew M Wollacott / Stephen Buckley / Adrie H Westphal / Simon Lindhoud / Sandrine Georgeon / Casper A Goverde / Georgios N Hatzopoulos / Pierre Gönczy / Yannick D Muller / Gerald Schwank / Daan C Swarts / Alex J Vecchio / Bernard L Schneider / Sergey Ovchinnikov / Bruno E Correia
Abstract: Protein-protein interactions (PPIs) are at the core of all key biological processes. However, the complexity of the structural features that determine PPIs makes their design challenging. We present ...Protein-protein interactions (PPIs) are at the core of all key biological processes. However, the complexity of the structural features that determine PPIs makes their design challenging. We present BindCraft, an open-source and automated pipeline for protein binder design with experimental success rates of 10-100%. BindCraft leverages the weights of AlphaFold2 to generate binders with nanomolar affinity without the need for high-throughput screening or experimental optimization, even in the absence of known binding sites. We successfully designed binders against a diverse set of challenging targets, including cell-surface receptors, common allergens, designed proteins, and multi-domain nucleases, such as CRISPR-Cas9. We showcase the functional and therapeutic potential of designed binders by reducing IgE binding to birch allergen in patient-derived samples, modulating Cas9 gene editing activity, and reducing the cytotoxicity of a foodborne bacterial enterotoxin. Lastly, we utilize cell surface receptor-specific binders to redirect AAV capsids for targeted gene delivery. This work represents a significant advancement towards a "one design-one binder" approach in computational design, with immense potential in therapeutics, diagnostics, and biotechnology.
History
DepositionNov 3, 2024Deposition site: PDBE / Processing site: PDBE
Revision 1.0Dec 18, 2024Provider: repository / Type: Initial release
Revision 1.1Dec 25, 2024Group: Database references / Category: citation / citation_author
Item: _citation.journal_id_CSD / _citation.pdbx_database_id_PubMed / _citation.title

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Mite allergen Der f 7
B: DerF7_binder2
C: Mite allergen Der f 7
D: DerF7_binder2
E: Mite allergen Der f 7
F: DerF7_binder2


Theoretical massNumber of molelcules
Total (without water)104,6066
Polymers104,6066
Non-polymers00
Water00
1
A: Mite allergen Der f 7
B: DerF7_binder2


Theoretical massNumber of molelcules
Total (without water)34,8692
Polymers34,8692
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Mite allergen Der f 7
D: DerF7_binder2


Theoretical massNumber of molelcules
Total (without water)34,8692
Polymers34,8692
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
E: Mite allergen Der f 7
F: DerF7_binder2


Theoretical massNumber of molelcules
Total (without water)34,8692
Polymers34,8692
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)118.810, 95.880, 87.310
Angle α, β, γ (deg.)90.000, 100.497, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 7 through 26 or resid 28...
d_2ens_1(chain "C" and (resid 7 through 26 or resid 28...
d_3ens_1(chain "E" and (resid 7 through 26 or resid 28...
d_1ens_2(chain "B" and (resid 4 through 15 or resid 17...
d_2ens_2(chain "D" and (resid 4 through 15 or resid 17...
d_3ens_2(chain "F" and (resid 4 through 15 or resid 17...

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_1LYSLYSSERSERAA7 - 2615 - 34
d_12ens_1THRTHRMETMETAA28 - 5636 - 64
d_13ens_1ASNASNLYSLYSAA58 - 7666 - 84
d_14ens_1VALVALVALVALAA8290
d_15ens_1ALAALAMETMETAA84 - 9792 - 105
d_16ens_1TYRTYRGLUGLUAA99 - 128107 - 136
d_17ens_1THRTHRARGARGAA136 - 143144 - 151
d_18ens_1PHEPHEGLUGLUAA145 - 194153 - 202
d_21ens_1LYSLYSSERSERCC7 - 2615 - 34
d_22ens_1THRTHRMETMETCC28 - 5636 - 64
d_23ens_1ASNASNLYSLYSCC58 - 7666 - 84
d_24ens_1VALVALVALVALCC8290
d_25ens_1ALAALAMETMETCC84 - 9792 - 105
d_26ens_1TYRTYRGLUGLUCC99 - 128107 - 136
d_27ens_1THRTHRARGARGCC136 - 143144 - 151
d_28ens_1PHEPHEGLUGLUCC145 - 194153 - 202
d_31ens_1LYSLYSSERSEREE7 - 2615 - 34
d_32ens_1THRTHRMETMETEE28 - 5636 - 64
d_33ens_1ASNASNVALVALEE58 - 8266 - 90
d_34ens_1ALAALAMETMETEE84 - 9792 - 105
d_35ens_1TYRTYRGLUGLUEE99 - 128107 - 136
d_36ens_1THRTHRARGARGEE136 - 143144 - 151
d_37ens_1PHEPHEGLUGLUEE145 - 194153 - 202
d_11ens_2GLUGLULEULEUBB4 - 1512 - 23
d_12ens_2LYSLYSARGARGBB17 - 1925 - 27
d_13ens_2ARGARGVALVALBB21 - 3129 - 39
d_14ens_2GLUGLULYSLYSBB33 - 5141 - 59
d_15ens_2VALVALGLUGLUBB57 - 7765 - 85
d_21ens_2GLUGLULEULEUDD4 - 1512 - 23
d_22ens_2LYSLYSARGARGDD17 - 1925 - 27
d_23ens_2ARGARGVALVALDD21 - 3129 - 39
d_24ens_2GLUGLUGLUGLUDD33 - 7741 - 85
d_31ens_2GLUGLULEULEUFF4 - 1512 - 23
d_32ens_2LYSLYSARGARGFF17 - 1925 - 27
d_33ens_2ARGARGVALVALFF21 - 3129 - 39
d_34ens_2GLUGLULYSLYSFF33 - 5141 - 59
d_35ens_2VALVALGLUGLUFF57 - 7765 - 85

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(0.500458203182, 0.825940089235, 0.259546827881), (0.820154496997, -0.548306650566, 0.163420983967), (0.277287193941, 0.13108312607, -0.951803039571)2.01618348048, 18.586852407, 18.8531354344
2given(-0.461006534103, 0.835025559554, -0.300341955787), (-0.848090500176, -0.514199142572, -0.127834835982), (-0.26118093159, 0.195784464833, 0.945226409017)46.2799602476, 29.938699486, 38.016796272
3given(0.436867287329, 0.857421162306, 0.27198515344), (0.847091616472, -0.493869299933, 0.196287818997), (0.302626447233, 0.144644616263, -0.942069619732)3.92085430653, 17.8499941674, 18.1958570328
4given(-0.444320248724, 0.851799123564, -0.277520755386), (-0.852339865167, -0.497324011758, -0.161819595772), (-0.275855525268, 0.164642280185, 0.946993478729)45.7173187874, 29.7570386419, 38.532433534

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Components

#1: Protein Mite allergen Der f 7 / Allergen Der f VII


Mass: 22889.014 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Dermatophagoides farinae (American house dust mite)
Gene: DERF7 / Production host: Escherichia coli (E. coli) / References: UniProt: Q26456
#2: Protein DerF7_binder2


Mass: 11979.742 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) synthetic construct (others) / Production host: Escherichia coli (E. coli)
Has protein modificationN

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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: 2.34 Å3/Da / Density % sol: 47.37 %
Crystal growTemperature: 289.15 K / Method: vapor diffusion, sitting drop / pH: 6.5 / Details: 0.1 M MES pH 6.5, 20 % v/v PEG Smear High BCS

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: MASSIF-3 / Wavelength: 0.9677 Å
DetectorType: DECTRIS EIGER X 4M / Detector: PIXEL / Date: Sep 7, 2024
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9677 Å / Relative weight: 1
ReflectionResolution: 2.99→59.61 Å / Num. obs: 34725 / % possible obs: 94.03 % / Redundancy: 1.3 % / Biso Wilson estimate: 86.94 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.05497 / Net I/σ(I): 7.77
Reflection shellResolution: 2.99→3.18 Å / Redundancy: 1.3 % / Rmerge(I) obs: 0.6007 / Mean I/σ(I) obs: 1.09 / Num. unique obs: 6058 / CC1/2: 0.774 / % possible all: 96.67

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Processing

Software
NameVersionClassification
PHENIXdev_5316refinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.99→59.61 Å / SU ML: 0.5096 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 35.0942
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2732 910 4.95 %
Rwork0.2203 17470 -
obs0.2229 18380 94.03 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 111.1 Å2
Refinement stepCycle: LAST / Resolution: 2.99→59.61 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6427 0 0 0 6427
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00436529
X-RAY DIFFRACTIONf_angle_d0.7858757
X-RAY DIFFRACTIONf_chiral_restr0.0526973
X-RAY DIFFRACTIONf_plane_restr0.00621124
X-RAY DIFFRACTIONf_dihedral_angle_d12.44332548
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS0.720475008428
ens_1d_3AAX-RAY DIFFRACTIONTorsion NCS0.729211933112
ens_2d_2BBX-RAY DIFFRACTIONTorsion NCS0.687327224918
ens_2d_3BBX-RAY DIFFRACTIONTorsion NCS0.739132829977
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.99-3.180.41761560.35432984X-RAY DIFFRACTION96.67
3.18-3.430.36881700.32452882X-RAY DIFFRACTION94.96
3.43-3.770.38441310.29182905X-RAY DIFFRACTION93.3
3.77-4.320.24711700.23342895X-RAY DIFFRACTION94.13
4.32-5.440.26591290.18342761X-RAY DIFFRACTION88.51
5.44-59.610.21061540.17113043X-RAY DIFFRACTION96.64
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)
19.97918577588-9.40779030169-4.491613319149.598171651236.078728044496.62970188364-1.18363325417-1.972908135191.843378550431.826308910351.85551997487-2.59730992761.12584422345-0.0963465199397-0.7493536128870.880978586597-0.2974389158870.06989403382461.5078763053-0.2182324380391.062387739546.118368547723.1596051130133.9858399006
23.163552609521.02599756918-2.107757392632.675300677840.9721167845498.02697009357-0.129876870891-0.0837186426328-0.299870627039-0.127543988117-0.01799213145120.1826017418631.20061853623-0.08356843218280.7469174378290.5168709490140.1611206412960.05911198262440.6517838829290.00171475098240.95156778672119.4139896418-4.097284810124.37599569535
36.96627528648-2.10249483355-1.389618546372.95036403616-0.6544432047711.689675369491.41470176312-0.9012588098781.32345311132-0.199023818886-0.6920906765120.429803637727-1.18540406241-0.52394121672-0.3014369468990.9831961035140.003591728181360.1165061692611.53847252970.09477120913811.287412472534.2674594725710.258911161128.3612815709
49.84489516120.342956935613-4.300630638313.54259565489-0.2890903881544.71384541896-1.11887344746-1.24518279038-0.09274328604510.3661583865930.8800966325181.028233947290.01426223522160.421280768543-0.4710629030951.11332117103-0.04941137250.0630390856541.26072145815-0.2974705595031.0438631537710.25487511566.9266051660924.5120945539
55.38500487202-0.234223566984-3.015988292591.68091758325-1.684595879569.731044627360.302229928532-0.8916952609110.2250192786810.2894385570190.402141073774-0.03907169418231.161090531161.85767727903-0.9222362979220.4539174433480.0494211634314-0.09050265682450.714708073673-0.04345081866390.87954129169926.2351220933-4.910114555072.1219324619
62.52605403829-1.968040519532.838645275497.82399404906-1.678602569453.273478034050.0931547331616-0.1192121151531.20614974532-0.6462324536260.2373228007871.35213854971-1.1727634363-1.48952664855-0.7798140906320.774427935097-0.01387606770520.1258979051441.22747384789-0.1074300328820.9407782978921.510823402713.7324060413923.8676440307
72.585941262580.389456441883-2.971028517032.264469856540.08669353629757.750821445590.2284426281-0.7661952397440.605232638095-0.0697087645733-0.1253357345650.184210121581-0.137182228754-0.00861265859946-0.2560306797980.579388893961-0.0665835164115-0.07531553579190.774965483103-0.0613820643630.90294540031617.17480703660.528722587859.10651212754
83.03225770674-1.255410061841.468647656182.227260929081.309994537845.89069237238-0.3349212585760.220944306974-0.00987984438407-0.02599463052410.427715808898-0.282400839228-0.02747701869391.656551033330.2030227689330.778788734222-0.1687282082560.1010728282360.9931177803950.01765556218171.0239365980943.23086519435.06510172177-6.69540746875
93.83289957176-0.144118772261-0.9895469613953.96172311951-0.8670134747583.99859298583-0.0850589051172-0.5977071881810.4061371899480.752468702016-0.05341100852850.251855846751-0.1555561306660.02790337054040.587290167011.14074986015-0.06032945267580.09678142556411.07989238181-0.08412870923881.1491186799237.515319751215.8735085455-3.73868716734
105.41798577966-5.24559067770.3435963161055.32027167960.4532297726273.1559877361.58873439589-0.05482953969230.696252749823-3.389807587410.511591667883-2.85786710693-2.75802643029-0.306158272902-1.978261838531.1670609758-0.03750052406890.2474565373921.18021728124-0.3047474334561.1482515181615.858781480328.384022691-11.1384462416
112.91357302782-0.80552533085-2.238954845483.06802055371-1.481362089693.35366540420.5274976488561.82168142244-0.1753053024870.03459798316480.2792755511630.160866284963-0.940485922597-1.36333826264-0.927471915640.9386250395030.2349738284160.1224856597311.78751688175-0.182121498310.9005620873585.8437109407340.28309938235.58782443929
121.68496574697-1.430629160081.458905647391.689272898520.3043493959498.344135333230.3582000209150.304989578059-0.3284779608391.286214910120.2219888385890.5436340864481.534771415110.820840620865-0.8083708173631.400814045120.08624715739080.03483811438680.707599666360.1354620979761.0361012903711.920682804632.097594928932.3951291852
134.91512059381.77959659473-4.22056382263.626565902030.4259803212486.81456606072-0.509078158994-0.0804334233125-0.6397616231050.583313864430.3504472424090.124053404794-0.217841710699-2.27493165592-0.0978900876210.96451699694-0.1837618402670.1902529718930.680091443149-0.127086859670.7881946772659.1808679192236.573783157731.6375304754
141.211554565710.6436295983571.369904007151.54851089370.6844312629085.002472956380.0203146320923-0.0598106225189-0.316458853736-0.22708928162-0.21317754270.0109979593804-0.6183331571160.5514651461730.3089262404360.633742512236-0.01172675267290.002127797768240.51626904607-0.01093531655580.78896676511515.128042163234.66653905639.40916071204
153.03707256205-1.1602043670.6103006132038.881810029340.6954833029866.018078437580.527061011219-0.0623755758135-1.23046998631.1114607202-0.4486379071920.2689888999721.87160554201-0.5310490364930.310569411680.677361566272-0.00508513620410.06618228153310.915384997348-0.05930743285240.92150592287711.685187339821.4354152057-2.66275642269
162.643978213031.254865261980.5074148728241.183670560491.153050590978.421223987830.289055142795-0.378378563406-0.1040059871420.487122086723-0.4307231538860.08997091800470.436016559751-0.4758784043120.1115697639420.741896450475-0.03174351193340.02346629641660.585943232975-0.04981965595870.82026216884713.473434051433.755204721915.0834848894
174.11739726456-4.51525335771-2.017220483445.111775932181.402681291052.707205943990.5405627216790.3914470944161.457898649340.1718121568790.397933609706-0.6017186680550.3470225078110.0716384698474-0.7200085579931.10500416985-0.2986422890010.02046090125761.0996217263-0.1805806864451.0641431792827.898159972752.429193456437.2936662286
183.0087922701-1.00106098285-0.6996571844621.746706401431.034404371413.708715928120.189019708292-0.231684153344-0.1452405663050.165412163499-0.275789542972-0.03228396096470.8072638177930.3485063507930.1531469109751.318717167050.0861291564389-0.003996125680660.800349876736-0.002204497012190.84688405655329.626874160240.053414527741.044961405
195.86231663780.8464399280420.6367891633033.86729187129-2.021060027476.07439587505-1.12402241420.050443528372-0.693682229528-0.8896565158070.3866524879060.1783308871431.01367199274-0.3620355250730.4760322615381.24464371271-0.2465220247780.1550061763951.279249398570.07517958509430.99193481135131.554429067842.395732261729.0872089537
204.607538243672.322224496323.638388217346.745376502230.2286575598577.327621576670.43252274592-0.0831771193725-0.07185266263110.0844916500342-0.4147274839310.205177512286-0.584508679076-0.613628091463-0.2404180072630.9385016147720.104697249428-0.09387127770081.05339214741-0.2011008485610.80046962606631.785130432519.168075156861.1214634876
215.217490858090.139055405716-1.805632927640.8285850094821.052251447982.861998438290.0505980391681-0.442971677703-0.598123367474-1.442282265470.4737730113750.48851474357-1.842167932141.99781670942-0.1815104790481.26821894206-0.172244880106-0.2455171097581.252824140950.1348733151391.0017519926541.942091336112.709201512125.5072325405
222.121917514310.6589364504530.5337087815152.896584289143.384732700823.63236609448-0.3063062302310.2428003659190.0108670504433-0.0802762826914-0.1605260026040.3860285603920.0559937860706-0.7656019774830.1232458002470.964890352524-0.07061735749540.02707179482570.7691976466110.1302887376570.78182273873532.259333650512.861706431440.4598631618
231.83415805915-1.67627927766-2.421646716992.736583619890.881907174924.359771151020.447354021575-1.022726454960.05691451872921.40729712411-0.660448009644-0.3299141759781.120894033830.8340301199290.2273097973891.51453124640.0423938217265-0.1419456120871.270029913090.1011208782880.82389962103942.067389780214.639681405462.189895211
243.471488932411.91037263803-0.572430357723.05668857578-0.7476705184135.29646645456-0.2180186062840.3152287130530.3302605217010.306966916493-0.1418985786190.2588348430040.996085065949-0.55374142250.2605821604330.7561210071930.0261060645338-0.006296539405350.6289965452180.02492794141340.75647551026932.28245902611.750450188938.7956144448
251.841256272281.540847849932.318973540196.514748726112.234002174143.001157554990.327520465391-0.506609512542-0.0593025476799-0.498281467321-0.1670878779061.17030265769-0.514010355620.633401790326-0.3666656460581.64709711489-0.296963779924-0.2397252144161.748389653010.1812811870430.96748476421141.273383530824.732351737657.3258102954
264.863465623271.054755046443.88962121834.589420625894.569577196686.37542128499-0.007989170375060.191392851416-2.151311722410.236880085567-0.26780028534-1.104523446182.680182683581.577107260521.541200285471.0916111037-0.2841263602220.240192478251.050743158720.01210762671790.93050642873138.05699672997.633482096542.3834912264
271.43100412643-0.9223996104-0.3911781946576.41120366566-1.181363545994.97543654755-0.5056884263810.147396816770.300919607811.552454037020.2827130884330.1993359590260.9620839139061.599221123230.5275685492710.95709364109-0.1491468366120.007219513285940.742366126518-0.00235234406520.85731351009935.649077046315.485430373842.3322121312
284.356289451530.508697925088-0.08711223069373.57177402872-0.07948679531450.8276427845340.235221062159-0.0982528584304-0.3572812045060.00986060741596-0.0648722682140.2491939802370.9238142243830.270040830440.04045054127611.551910028010.05116132668640.1804241042761.24301128702-0.09936495116391.0616800821938.4392766945-8.5198462234220.7117871903
290.644102213899-0.280497850377-0.08193617840492.80959682567-2.449220967932.36726843403-0.03020689444580.6613621898390.3861940018750.309706957002-0.226923010811-0.3180615006740.3980849949650.1948019822290.4372976923581.82980595080.0355992504351-0.03208020568051.49056518875-0.1158730717221.2255053445443.957019648-9.4014690110132.2653739102
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 5 through 24 )AA5 - 241 - 20
22chain 'A' and (resid 25 through 66 )AA25 - 6621 - 62
33chain 'A' and (resid 67 through 80 )AA67 - 8063 - 76
44chain 'A' and (resid 81 through 94 )AA81 - 9477 - 90
55chain 'A' and (resid 95 through 119 )AA95 - 11991 - 115
66chain 'A' and (resid 120 through 142 )AA120 - 142116 - 138
77chain 'A' and (resid 143 through 195 )AA143 - 195139 - 191
88chain 'B' and (resid 2 through 27 )BB2 - 271 - 26
99chain 'B' and (resid 28 through 80 )BB28 - 8027 - 79
1010chain 'C' and (resid 6 through 24 )CC6 - 241 - 19
1111chain 'C' and (resid 25 through 36 )CC25 - 3620 - 31
1212chain 'C' and (resid 37 through 47 )CC37 - 4732 - 42
1313chain 'C' and (resid 48 through 57 )CC48 - 5743 - 52
1414chain 'C' and (resid 58 through 119 )CC58 - 11953 - 114
1515chain 'C' and (resid 120 through 142 )CC120 - 142115 - 137
1616chain 'C' and (resid 143 through 195 )CC143 - 195138 - 190
1717chain 'D' and (resid 1 through 23 )DD1 - 231 - 23
1818chain 'D' and (resid 24 through 63 )DD24 - 6324 - 58
1919chain 'D' and (resid 64 through 77 )DD64 - 7759 - 72
2020chain 'E' and (resid 5 through 36 )EE5 - 361 - 32
2121chain 'E' and (resid 37 through 47 )EE37 - 4733 - 43
2222chain 'E' and (resid 48 through 70 )EE48 - 7044 - 66
2323chain 'E' and (resid 71 through 93 )EE71 - 9367 - 84
2424chain 'E' and (resid 94 through 128 )EE94 - 12885 - 119
2525chain 'E' and (resid 135 through 142 )EE135 - 142120 - 127
2626chain 'E' and (resid 143 through 152 )EE143 - 152128 - 137
2727chain 'E' and (resid 153 through 195 )EE153 - 195138 - 180
2828chain 'F' and (resid 4 through 51 )FF4 - 511 - 48
2929chain 'F' and (resid 52 through 79 )FF52 - 7949 - 76

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