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- PDB-6vpf: Estrogen Receptor Alpha Ligand Binding Domain in Complex with the... -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 6vpf
TitleEstrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene
ComponentsEstrogen receptor
KeywordsTRANSFERASE / Breast Cancer / Hormone / Selective Estrogen Receptor Modulator / Antiestrogen / Alpha Helical Bundle
Function / homology
Function and homology information


regulation of epithelial cell apoptotic process / antral ovarian follicle growth / G protein-coupled estrogen receptor activity / regulation of branching involved in prostate gland morphogenesis / RUNX1 regulates transcription of genes involved in WNT signaling / RUNX1 regulates estrogen receptor mediated transcription / regulation of toll-like receptor signaling pathway / nuclear estrogen receptor activity / prostate epithelial cord arborization involved in prostate glandular acinus morphogenesis / epithelial cell proliferation involved in mammary gland duct elongation ...regulation of epithelial cell apoptotic process / antral ovarian follicle growth / G protein-coupled estrogen receptor activity / regulation of branching involved in prostate gland morphogenesis / RUNX1 regulates transcription of genes involved in WNT signaling / RUNX1 regulates estrogen receptor mediated transcription / regulation of toll-like receptor signaling pathway / nuclear estrogen receptor activity / prostate epithelial cord arborization involved in prostate glandular acinus morphogenesis / epithelial cell proliferation involved in mammary gland duct elongation / prostate epithelial cord elongation / epithelial cell development / negative regulation of smooth muscle cell apoptotic process / uterus development / mammary gland branching involved in pregnancy / vagina development / TFIIB-class transcription factor binding / steroid hormone receptor signaling pathway / androgen metabolic process / cellular response to estrogen stimulus / mammary gland alveolus development / estrogen response element binding / Mitochondrial unfolded protein response (UPRmt) / nuclear receptor-mediated steroid hormone signaling pathway / Nuclear signaling by ERBB4 / RNA polymerase II preinitiation complex assembly / protein localization to chromatin / estrogen receptor signaling pathway / negative regulation of canonical NF-kappaB signal transduction / steroid binding / 14-3-3 protein binding / TFAP2 (AP-2) family regulates transcription of growth factors and their receptors / TBP-class protein binding / nitric-oxide synthase regulator activity / positive regulation of nitric-oxide synthase activity / negative regulation of miRNA transcription / ESR-mediated signaling / positive regulation of DNA-binding transcription factor activity / transcription coregulator binding / transcription corepressor binding / nuclear estrogen receptor binding / negative regulation of DNA-binding transcription factor activity / stem cell differentiation / SUMOylation of intracellular receptors / cellular response to estradiol stimulus / transcription coactivator binding / euchromatin / beta-catenin binding / Nuclear Receptor transcription pathway / response to estrogen / nuclear receptor activity / positive regulation of fibroblast proliferation / male gonad development / Constitutive Signaling by Aberrant PI3K in Cancer / Regulation of RUNX2 expression and activity / sequence-specific double-stranded DNA binding / positive regulation of nitric oxide biosynthetic process / Ovarian tumor domain proteases / response to estradiol / PIP3 activates AKT signaling / ATPase binding / positive regulation of cytosolic calcium ion concentration / DNA-binding transcription activator activity, RNA polymerase II-specific / PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling / regulation of inflammatory response / fibroblast proliferation / phospholipase C-activating G protein-coupled receptor signaling pathway / transcription regulator complex / Estrogen-dependent gene expression / DNA-binding transcription factor activity, RNA polymerase II-specific / Extra-nuclear estrogen signaling / calmodulin binding / chromatin remodeling / RNA polymerase II cis-regulatory region sequence-specific DNA binding / DNA-binding transcription factor activity / negative regulation of gene expression / chromatin binding / regulation of DNA-templated transcription / regulation of transcription by RNA polymerase II / protein kinase binding / chromatin / positive regulation of DNA-templated transcription / enzyme binding / negative regulation of transcription by RNA polymerase II / Golgi apparatus / signal transduction / positive regulation of transcription by RNA polymerase II / protein-containing complex / zinc ion binding / nucleoplasm / identical protein binding / nucleus / membrane / plasma membrane / cytosol / cytoplasm
Similarity search - Function
Estrogen receptor / Oestrogen-type nuclear receptor final C-terminal domain / : / Oestrogen receptor / Oestrogen-type nuclear receptor final C-terminal / Estrogen receptor/oestrogen-related receptor / : / Retinoid X Receptor / Retinoid X Receptor / Nuclear hormone receptor ...Estrogen receptor / Oestrogen-type nuclear receptor final C-terminal domain / : / Oestrogen receptor / Oestrogen-type nuclear receptor final C-terminal / Estrogen receptor/oestrogen-related receptor / : / Retinoid X Receptor / Retinoid X Receptor / Nuclear hormone receptor / Nuclear hormones receptors DNA-binding region signature. / Zinc finger, nuclear hormone receptor-type / Double treble clef zinc finger, C4 type / Nuclear hormone receptors DNA-binding domain profile. / c4 zinc finger in nuclear hormone receptors / Nuclear hormone receptor, ligand-binding domain / Nuclear hormone receptor-like domain superfamily / Ligand-binding domain of nuclear hormone receptor / Nuclear receptor (NR) ligand-binding (LBD) domain profile. / Ligand binding domain of hormone receptors / Zinc finger, NHR/GATA-type / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
Clomifene / Estrogen receptor
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.6 Å
AuthorsFanning, S.W. / Greene, G.L.
CitationJournal: Elife / Year: 2022
Title: Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Authors: Hosfield, D.J. / Weber, S. / Li, N.S. / Suavage, M. / Joiner, C.F. / Hancock, G.R. / Sullivan, E.A. / Ndukwe, E. / Han, R. / Cush, S. / Laine, M. / Mader, S.C. / Greene, G.L. / Fanning, S.W.
History
DepositionFeb 3, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 16, 2020Provider: repository / Type: Initial release
Revision 1.1Jun 15, 2022Group: Database references / Category: citation / citation_author / database_2
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.2Oct 11, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
B: Estrogen receptor
A: Estrogen receptor
C: Estrogen receptor
D: Estrogen receptor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)122,4138
Polymers120,7894
Non-polymers1,6244
Water8,017445
1
B: Estrogen receptor
D: Estrogen receptor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)61,2064
Polymers60,3942
Non-polymers8122
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3060 Å2
ΔGint-14 kcal/mol
Surface area20230 Å2
MethodPISA
2
A: Estrogen receptor
hetero molecules

C: Estrogen receptor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)61,2064
Polymers60,3942
Non-polymers8122
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation1_545x,y-1,z1
Buried area2950 Å2
ΔGint-15 kcal/mol
Surface area19800 Å2
MethodPISA
Unit cell
Length a, b, c (Å)58.33, 58.33, 275.88
Angle α, β, γ (deg.)90.0, 90.0, 120.0
Int Tables number145
Space group name H-MP32
Space group name HallP32
Symmetry operation#1: x,y,z
#2: -y,x-y,z+2/3
#3: -x+y,-x,z+1/3

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Components

#1: Protein
Estrogen receptor / ER / ER-alpha / Estradiol receptor / Nuclear receptor subfamily 3 group A member 1


Mass: 30197.201 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ESR1, ESR, NR3A1 / Production host: Escherichia coli (E. coli) / References: UniProt: P03372
#2: Chemical
ChemComp-53Q / Clomifene / 1-[(E)-2-chloro-1,2-diphenylethenyl]-4-methoxybenzene / clomiphene


Mass: 405.960 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C26H28ClNO / Feature type: SUBJECT OF INVESTIGATION
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 445 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.24 Å3/Da / Density % sol: 45.17 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / Details: PEG 3,350, Tris pH 7.5, MgCl2

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 19-BM / Wavelength: 0.987 Å
DetectorType: MAR CCD 165 mm / Detector: CCD / Date: Jun 19, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.987 Å / Relative weight: 1
ReflectionResolution: 1.6→50 Å / Num. obs: 98256 / % possible obs: 94.9 % / Redundancy: 3.1 % / Biso Wilson estimate: 14.5417884521 Å2 / Rpim(I) all: 0.04 / Net I/σ(I): 20
Reflection shellResolution: 1.6→1.63 Å / Num. unique obs: 4958 / CC1/2: 0.75

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Processing

Software
NameVersionClassification
PHENIX1.9_1692+SVNrefinement
HKL-2000data reduction
HKL-3000data scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6VIG

6vig
PDB Unreleased entry


Resolution: 1.6→49.69 Å / SU ML: 0.196 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 27.5
RfactorNum. reflection% reflection
Rfree0.2344 4059 5.03 %
Rwork0.2008 --
obs0.2024 80723 58.5 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 24.02 Å2
Refinement stepCycle: LAST / Resolution: 1.6→49.69 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7468 0 116 445 8029
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.005257061511447856
X-RAY DIFFRACTIONf_angle_d0.95568711617510653
X-RAY DIFFRACTIONf_chiral_restr0.03404985325851250
X-RAY DIFFRACTIONf_plane_restr0.003791100470391324
X-RAY DIFFRACTIONf_dihedral_angle_d15.01675801062889
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.6023-1.62110.36541342455220.262045137466422X-RAY DIFFRACTION9.05752753978
1.6211-1.64090.235863537408570.243543924012749X-RAY DIFFRACTION17.3370617337
1.6409-1.66170.353478887303740.2527773974961120X-RAY DIFFRACTION25.0682343061
1.6617-1.68350.255974987982600.2391578653711440X-RAY DIFFRACTION31.7729294641
1.6835-1.70660.270318034107720.2399631694171576X-RAY DIFFRACTION34.6947368421
1.7066-1.7310.2956768317341170.2502243885241763X-RAY DIFFRACTION39.5207063275
1.731-1.75680.331474107451040.2412995621331941X-RAY DIFFRACTION43.1981411069
1.7568-1.78430.3268341766361010.2554255246872221X-RAY DIFFRACTION48.9563567362
1.7843-1.81350.2961078546351400.2582644003312588X-RAY DIFFRACTION56.3869367507
1.8135-1.84480.2571071463651480.2606112574092873X-RAY DIFFRACTION64.4961571307
1.8448-1.87840.3029981769651620.2457951045283094X-RAY DIFFRACTION67.3701634595
1.8784-1.91450.2365302529751890.2415016640173098X-RAY DIFFRACTION70.5364806867
1.9145-1.95360.2766184882321890.2460601437293253X-RAY DIFFRACTION70.7502569373
1.9536-1.9960.324530298441540.2347548565143159X-RAY DIFFRACTION70.7452487722
1.996-2.04250.2933290375811330.230735537763223X-RAY DIFFRACTION70.3269069573
2.0425-2.09360.2521453244021510.2273138138773094X-RAY DIFFRACTION68.2726698927
2.0936-2.15020.2396475626241510.2080276375673103X-RAY DIFFRACTION67.6507276507
2.1502-2.21340.2708772869551600.2090400342762970X-RAY DIFFRACTION66.8232280102
2.2134-2.28490.2388367633211930.2060993495082933X-RAY DIFFRACTION65.6171284635
2.2849-2.36650.2736477865881880.2023511171292913X-RAY DIFFRACTION64.996856005
2.3665-2.46130.249016080711440.2039643419942872X-RAY DIFFRACTION63.5348641247
2.4613-2.57330.2436937255921700.2021797273812816X-RAY DIFFRACTION62.731092437
2.5733-2.7090.2257779107051520.2034492287082805X-RAY DIFFRACTION62.1740958789
2.709-2.87870.3083087380471460.2031922734232843X-RAY DIFFRACTION62.7545664497
2.8787-3.10090.2369634324211260.1963101624552895X-RAY DIFFRACTION63.280268119
3.1009-3.41290.1841650930551540.190985929923112X-RAY DIFFRACTION68.6711522288
3.4129-3.90660.1861184117631530.1695884509793624X-RAY DIFFRACTION79.1160452451
3.9066-4.92120.1773586457312240.1596358108963866X-RAY DIFFRACTION86.6341876721
4.9212-490.2106002170942250.1819239340954298X-RAY DIFFRACTION94.8814768198
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)
16.28136363275-2.32450852769-0.9213002702145.5928191073-1.418504646491.67334901602-0.486974964246-0.7966536036030.5290015211261.229892257470.437025931932-0.425920409627-1.091753592340.523129997490.02448404873250.422428016004-0.25227619228-0.1049035484270.245980180684-0.08009566953950.3325233245217.896585965415.602448049331.5952258325
22.44153453782-1.47968191466-0.9485846304441.93238273226-1.18901054392.820090380670.0234046806299-0.247336025177-0.0438574772193-0.313251942965-0.119921193665-0.3678471963140.2473080616260.8053185608930.06922628811360.0222495383389-0.03335261080330.01696333223280.2652966612850.01094452168520.17672809998922.4053904126-6.7796949266523.5505597248
33.57063969941-1.46468435606-0.3158236452711.801889818080.4254898345684.11139007123-0.04936699082720.375853904152-0.236580465537-0.15673021209-0.1480731341780.0480976972180.2417308320470.1260779577880.1180536585480.0397779043497-0.01603559891730.01596986989420.122016396706-0.01481124453640.13785577155614.3490674818-5.3684352512318.9701914536
44.02822049979-1.5320476041-0.2020521195472.07282827010.9329313920394.655291188340.1795100225190.31227164541-0.150666076695-0.544116927462-0.3318761702950.275407802680.0204119775255-0.3371292022730.1089902043320.09724334079250.01241086561750.02077351785060.223383190953-0.03035994607840.1027817835178.17098793513-2.2229508011710.9893229897
52.92440142611-1.24025212478-0.4741091492861.63109696544-0.2394232081675.904695148680.2589781725080.1890003818310.2548538122340.0491320210795-0.132267715245-0.149384938597-0.6648632747390.331759261195-0.05694061857690.0426175408923-0.03221015971660.002584472291550.09593864412030.001802663310580.16485403445711.87449856498.0323984069823.251408881
66.578244956232.60854501224-1.90001391856.05465789075-1.854215779956.656732655430.274596129714-0.116037810363-0.03697207261860.854748489053-0.6182340699790.6160208876720.208388012092-1.050070155810.2776686720310.347686344488-0.1390696586590.02350723496020.321815357787-0.09603477324940.3332174295771.26922119242-1.3613232076839.4172218532
71.53818711527-0.535392418042-0.9602777252835.21932269813-4.801056143538.3064155273-0.146986886912-0.1919402683860.2843143426570.2342534624820.218698263662-0.18548981035-0.54282202358-0.0543771248589-0.07816629140630.143908637845-0.0293323531097-0.02157481054840.110680187219-0.05799999171480.161195245656.6686652802313.282880916732.7882543725
82.2211616922-2.007023853170.3376296970859.72111621689-0.2685560009031.67987028893-0.05726482922840.0180688183213-0.1902852214730.003098072997760.09286970512380.0860656151292-0.04540881514420.00812829264049-0.05505067690430.00627966274536-0.01951796468230.02240054511640.1342550762450.01084998876660.08938244962423.709067923220.83635836541320.3924240755
93.620849357231.220352812612.185759693241.234237519480.6044445524832.762206674370.0801496754734-0.197524668855-0.2722388453440.10396805560.203467248764-0.5050096061440.442313076680.18329002511-0.1505750176990.4602016708460.176599886462-0.02833346104740.384664586812-0.04213053892640.20035241373418.8541309003-10.298300172637.5879735557
106.10995151261-0.0802215107428-0.09853908419110.9255352250940.3087289249483.021895258110.07534259330730.2694375516510.482664868295-0.134173275889-0.03189046781970.0620027117447-0.550698922814-0.33371735906-0.071280225240.3228121337870.0384156666431-0.0789901614879-0.00113530573745-0.05686463659250.26662365010518.44767754323.720220797671.0007754252
112.91659578143-0.957893911097-1.008969441711.310236802450.5552929734794.163066202330.008697999856920.1192160797040.1133466124780.0189300921118-0.07044197666260.0457481032575-0.358543291832-0.2851556254910.0596091304690.1052357277930.03801198210170.0009940255116310.0487489097221-0.001002418511320.13241891453218.0543551846-3.9611876565667.6861824609
123.41111452107-2.302984408640.1478898629343.048501866270.2787876627933.66563362227-0.322684626222-0.646509679697-0.3572529271520.2248726912540.1961963274820.426473211883-0.119455187692-0.3009133753780.07293193524690.2222857633250.06629075725590.05100776568940.1997903911510.006903278761870.13072687062419.1019825057-10.422757403383.4060490082
132.6261212582-0.5368496192-1.098941979811.03190452098-0.5898133783732.657120937970.04535936441340.2848086549020.0574995796039-0.0461794724583-0.03733819461130.00832561601992-0.0721841889859-0.1409177274350.01688551813460.1190613434330.009148326102050.01552997680320.0487008109257-0.001373185501840.10252027613228.367668907-8.6052194878265.2179115012
143.704804259753.166561331630.5000160836484.901200546070.8954747976653.460445282850.04988496875630.00711623296727-0.1448556834240.303933904492-0.0791775720715-0.2787481360090.6076084391140.483799866936-0.003964427129420.06842629832250.121162361790.06435521086090.1929760785920.04975781118080.30862250700312.9976380414.584241661768.6792506859
150.457444300309-0.08683298598710.3041869701083.868628232540.6283434923014.58616627972-0.01727194860680.0646646190412-0.0412776110327-0.220984511977-0.08161199610390.07279386042340.3811672811050.05741884841610.09525513480510.0897628593660.02508308118720.01821168102790.0890719908797-0.0153699646050.1207872899553.8107647623518.815232614366.3806404873
160.9242102924820.6763823879081.082787930532.685102293130.7818322118053.397671676850.0976683054089-0.1297970902-0.02234997489230.258079990156-0.0820521096216-0.01872688931480.188860349326-0.05869799387060.009877984340410.08326376975380.0450147383306-0.000485099783150.06845787444-0.00502751011320.1096291734056.7785401374128.496595662874.161434625
178.705072533513.405230781731.045852202329.124912063851.398460005574.99201947389-0.2309368266410.9469246276180.674735638561-1.24430722620.3454933330440.706041696377-1.25462758869-0.302223386194-0.06444853421740.3762322178350.306151934246-0.09707081712130.2472057156480.0727737495750.311328302183-17.774139242216.072363945915.8837871448
182.935825012831.47281059081-0.7490093972121.834149709120.054755971823.48697731491-0.06499995510910.1577482163790.01483766102880.03975907109280.03897616319640.2616665823440.398572870372-0.8772817195450.01086466135850.03371470089210.002670085800280.01023208333240.24484233154-0.02756125136510.164836718169-22.280477909-5.7600919753922.7250514297
192.926583233532.254968443770.07230827737261.12489529141-0.3444707638693.628263299320.0463583509652-0.412394697795-0.1413431566760.807278394755-0.113107898977-0.1488498508060.290213648336-0.07271527129590.0381599835584-0.1205432269720.02477062163650.05699913249710.1472839176460.01019344592670.145712526027-12.6207346585-4.4582320816530.491433929
201.382981164741.825641903760.6286783426482.08839793638-0.6258778841653.23185807091-0.0896876289410.1573271625840.227617914718-0.1385603084510.1508564676430.104151836999-0.1120501633910.056710786761-0.01650415294680.06292897798190.0439552022914-0.006149790330410.09108330365250.04524710577490.166866620786-7.390451282449.4030630972416.5048377405
212.075635621120.491104514421-0.2233525494131.63675979302-1.74129443722.15581876082-0.05722008763260.0924761537712-0.2747623788-0.4182913045460.169785209335-0.1273097504140.347262067449-0.178341928509-0.08813117406140.0364254273444-0.000193943571501-0.007431151965670.1564226128410.004644587878080.109659185262-7.64304759941-3.3014090266221.858212293
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'B' and (resid 306 through 322 )
2X-RAY DIFFRACTION2chain 'B' and (resid 323 through 371 )
3X-RAY DIFFRACTION3chain 'B' and (resid 372 through 420 )
4X-RAY DIFFRACTION4chain 'B' and (resid 421 through 438 )
5X-RAY DIFFRACTION5chain 'B' and (resid 439 through 455 )
6X-RAY DIFFRACTION6chain 'B' and (resid 456 through 465 )
7X-RAY DIFFRACTION7chain 'B' and (resid 466 through 496 )
8X-RAY DIFFRACTION8chain 'B' and (resid 497 through 528 )
9X-RAY DIFFRACTION9chain 'B' and (resid 529 through 549 )
10X-RAY DIFFRACTION10chain 'A' and (resid 307 through 341 )
11X-RAY DIFFRACTION11chain 'A' and (resid 342 through 407 )
12X-RAY DIFFRACTION12chain 'A' and (resid 408 through 438 )
13X-RAY DIFFRACTION13chain 'A' and (resid 439 through 545 )
14X-RAY DIFFRACTION14chain 'C' and (resid 306 through 341 )
15X-RAY DIFFRACTION15chain 'C' and (resid 342 through 438 )
16X-RAY DIFFRACTION16chain 'C' and (resid 439 through 546 )
17X-RAY DIFFRACTION17chain 'D' and (resid 307 through 321 )
18X-RAY DIFFRACTION18chain 'D' and (resid 322 through 371 )
19X-RAY DIFFRACTION19chain 'D' and (resid 372 through 437 )
20X-RAY DIFFRACTION20chain 'D' and (resid 438 through 496 )
21X-RAY DIFFRACTION21chain 'D' and (resid 497 through 545 )

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