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- PDB-8qzj: Crystal structure of PptT-ADP from Mycobacterium tuberculosis -

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Basic information

Entry
Database: PDB / ID: 8qzj
TitleCrystal structure of PptT-ADP from Mycobacterium tuberculosis
Components4'-phosphopantetheinyl transferase PptT
KeywordsTRANSFERASE
Function / homology
Function and homology information


siderophore metabolic process / enterobactin synthetase complex / holo-[acyl-carrier-protein] synthase / enterobactin biosynthetic process / siderophore biosynthetic process / holo-[acyl-carrier-protein] synthase activity / magnesium ion binding / plasma membrane
Similarity search - Function
Enterobactin synthetase-like, component D / 4'-phosphopantetheinyl transferase, N-terminal domain / 4'-phosphopantetheinyl transferase N-terminal domain / 4'-phosphopantetheinyl transferase domain / 4'-phosphopantetheinyl transferase domain superfamily / 4'-phosphopantetheinyl transferase superfamily
Similarity search - Domain/homology
ADENOSINE-3'-5'-DIPHOSPHATE / : / 4'-phosphopantetheinyl transferase PptT
Similarity search - Component
Biological speciesMycobacterium tuberculosis (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å
AuthorsGavalda, S. / Mourey, L. / Pedelacq, J.D.
Funding support France, 1items
OrganizationGrant numberCountry
Agence Nationale de la Recherche (ANR)09-BLAN-0298-01 France
CitationJournal: Acs Catalysis / Year: 2024
Title: Catalytic Cycle of Type II 4'-Phosphopantetheinyl Transferases
Authors: Gavalda, S. / Faille, A. / Fioccola, S. / Nguyen, M.C. / Carivenc, C. / Rottier, K. / Rufin, Y. / Saitta, S. / Czaplicki, G. / Guilhot, C. / Chalut, C. / Brut, M. / Mourey, L. / Pedelacq, J.D.
History
DepositionOct 27, 2023Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 19, 2024Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: 4'-phosphopantetheinyl transferase PptT
B: 4'-phosphopantetheinyl transferase PptT
C: 4'-phosphopantetheinyl transferase PptT
D: 4'-phosphopantetheinyl transferase PptT
hetero molecules


Theoretical massNumber of molelcules
Total (without water)109,78416
Polymers107,6354
Non-polymers2,14812
Water9,332518
1
A: 4'-phosphopantetheinyl transferase PptT
hetero molecules


Theoretical massNumber of molelcules
Total (without water)27,4464
Polymers26,9091
Non-polymers5373
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: 4'-phosphopantetheinyl transferase PptT
hetero molecules


Theoretical massNumber of molelcules
Total (without water)27,4464
Polymers26,9091
Non-polymers5373
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: 4'-phosphopantetheinyl transferase PptT
hetero molecules


Theoretical massNumber of molelcules
Total (without water)27,4464
Polymers26,9091
Non-polymers5373
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: 4'-phosphopantetheinyl transferase PptT
hetero molecules


Theoretical massNumber of molelcules
Total (without water)27,4464
Polymers26,9091
Non-polymers5373
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)65.860, 68.792, 210.063
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number18
Space group name H-MP22121
Space group name HallP22ab(z,x,y)
Symmetry operation#1: x,y,z
#2: x,-y,-z
#3: -x,y+1/2,-z+1/2
#4: -x,-y+1/2,z+1/2
Components on special symmetry positions
IDModelComponents
11C-412-

HOH

21D-491-

HOH

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Components

#1: Protein
4'-phosphopantetheinyl transferase PptT


Mass: 26908.865 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mycobacterium tuberculosis (bacteria) / Gene: pptT / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: O33336
#2: Chemical
ChemComp-A3P / ADENOSINE-3'-5'-DIPHOSPHATE


Type: RNA linking / Mass: 427.201 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C10H15N5O10P2 / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical
ChemComp-MN / MANGANESE (II) ION


Mass: 54.938 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Mn / Feature type: SUBJECT OF INVESTIGATION
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 518 / 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: 2.21 Å3/Da / Density % sol: 44.36 %
Crystal growTemperature: 285 K / Method: vapor diffusion, sitting drop / pH: 7.5 / Details: 0.1 M HEPES 20 %w/v PEG 4K 10 %v/v 2-Propanol

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 0.97954 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jul 18, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97954 Å / Relative weight: 1
ReflectionResolution: 2→47.97 Å / Num. obs: 64995 / % possible obs: 97 % / Redundancy: 3.8 % / Biso Wilson estimate: 33.45 Å2 / CC1/2: 0.995 / Net I/σ(I): 7
Reflection shellResolution: 2→2.071 Å / Num. unique obs: 6436 / CC1/2: 0.41

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
autoPROCdata processing
XDSdata reduction
Cootmodel building
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2→47.97 Å / SU ML: 0.3023 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 28.4076
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2677 3084 2.65 %
Rwork0.2189 113427 -
obs0.216 63507 93.51 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 45.3 Å2
Refinement stepCycle: LAST / Resolution: 2→47.97 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6859 0 116 518 7493
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00287159
X-RAY DIFFRACTIONf_angle_d0.69619808
X-RAY DIFFRACTIONf_chiral_restr0.0441112
X-RAY DIFFRACTIONf_plane_restr0.00441245
X-RAY DIFFRACTIONf_dihedral_angle_d15.77842562
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2-2.030.36581680.33855292X-RAY DIFFRACTION96.47
2.03-2.060.37851160.32225355X-RAY DIFFRACTION96.47
2.06-2.10.32231500.3095277X-RAY DIFFRACTION96.33
2.1-2.140.32111540.3025293X-RAY DIFFRACTION96.27
2.14-2.180.32111340.29925352X-RAY DIFFRACTION95.74
2.18-2.220.41571310.37314572X-RAY DIFFRACTION84.06
2.22-2.270.6498860.50133266X-RAY DIFFRACTION58.41
2.27-2.330.50151360.36954738X-RAY DIFFRACTION86.77
2.33-2.380.34841320.27785418X-RAY DIFFRACTION97.52
2.38-2.450.28341520.25525338X-RAY DIFFRACTION96.96
2.45-2.520.3021450.24675304X-RAY DIFFRACTION96.34
2.52-2.60.28241430.24475259X-RAY DIFFRACTION95.76
2.6-2.690.31011460.24345213X-RAY DIFFRACTION94.85
2.69-2.80.31061570.23175433X-RAY DIFFRACTION98.5
2.8-2.930.2921380.22015379X-RAY DIFFRACTION97.94
2.93-3.080.30121480.21015369X-RAY DIFFRACTION97.08
3.08-3.280.25651400.19895337X-RAY DIFFRACTION95.87
3.28-3.530.271500.18675092X-RAY DIFFRACTION93.19
3.53-3.880.21851500.18555283X-RAY DIFFRACTION95.94
3.89-4.450.1831250.14675339X-RAY DIFFRACTION96.88
4.45-5.60.18041410.13895223X-RAY DIFFRACTION94.11
5.6-47.970.18191420.17175295X-RAY DIFFRACTION96.03
Refinement TLS params.

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

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
13.90056497679-1.30130673296-3.07534345183.90226396911-0.3217861395496.22044381575-0.7921111581962.06443079413-0.557738129439-0.02155489551780.413629744117-0.2439358271620.2621988370480.6367437669650.3598807107910.409253229004-0.08590230386440.03044419283660.746764675737-0.07968820875580.277641905255-14.0739106908-7.6594045527625.793272128
26.04532925540.9501911652830.6299400786843.918174881940.4772100211654.83215024984-0.2197452462710.900365108558-0.279223543885-0.2962292444370.0858807297980.3777546110990.5532723828020.1457665047980.1222867953970.426338793322-0.0352109654958-0.06396032755530.320943719451-0.03429958544550.22595386564-21.3344360014-15.811338249533.0795090057
34.790153067080.3009150771761.620469111354.60858820719-0.4948338666247.285259794630.129805320646-0.7012017266870.09046846971160.2780597638190.09952235011770.2042263377270.930153791313-1.03021145451-0.05213906456360.43583269986-0.1437253294790.02076153881050.355719164407-0.01907472761630.294095923246-25.8935903146-16.065507275549.2208508096
43.65577410806-0.720412802823-1.510709784042.06027205375-0.0358716569293.220642240050.05908501543520.251162738816-0.2368107687950.238473274242-0.149668853466-0.08795239373410.7715577457320.5683901169580.07049438486650.3995211305270.0414087740074-0.007265501490670.313646890033-0.03041722677360.217949706804-14.2271228599-17.022480151540.9690958326
52.50475123713-0.454104752247-0.3726316514323.459884232440.8146388791344.20814894369-0.1027803179020.0146855081620.4754534707490.164302534280.0822966409729-0.196161498352-0.4368274252260.2329931039630.05565470522590.275940426997-0.0742771718111-0.05907297312810.351902252658-0.01211723354170.267335585955-16.77350978821.1666847591137.9909181828
68.50316215636-3.618549555870.9225412244392.75338869621-1.830057661672.70160531876-1.03796733582-1.863157197440.08155994282680.516482959707-0.104767050407-0.194319941018-0.7636288033580.4308663544111.117201181890.716892349436-0.134547049519-0.1828177965550.8943767230420.1995737963680.886494658153-17.358209763614.631067102928.1858871535
78.5861110913-1.316712893253.107006151653.69460501754-0.5669019591265.69858377760.1090611607530.6776309624880.7029605128750.084544207913-0.3462482297370.0709586118305-0.255012393415-0.452989099580.3501580373680.457146234285-0.060134483652-0.0204098033540.3744535415440.05444457052250.356757450277-19.97546697528.5132256865535.1843932168
81.79735440569-0.4733565477490.1879768487532.29615007778-0.7630028547762.43793391279-0.129227360838-0.01948314604120.1903225622120.175962656629-0.05941857995640.00932177079973-0.4254445580920.07375661512870.187042776970.406372895239-0.162563113261-0.04725711758060.4559495236610.04137541548050.319717672485-8.754845441643.1557584520841.4406954149
94.00106801162-0.6986120470041.568662936311.78325597722-0.3722734218413.662216908-0.2446555800911.02178811430.0605600456242-0.1014317500390.00585154416802-0.390950350659-0.3909039084631.340907351010.2654019108780.369539411391-0.158772781409-0.04652561978610.5351136164650.08195951101920.360665345834-9.407669627111.8566801101733.3654002419
102.544723599691.11259965817-3.923831655584.09990191098-0.9386257476426.242999544290.0179400288847-1.05474524383-0.6918353486640.274390252267-0.227651406067-0.27086953957-0.5668840229550.2896123712350.2626655578970.2540869309440.0101363847054-0.03980490407780.3380274019220.02799232036420.228956003904-18.8735894654-6.4149107798279.9967269524
112.121705352321.19313086101-0.5432910983761.754175210230.4676265074112.353762290660.102244266713-0.228276831939-0.5006276523680.0494106193113-0.155641925308-0.206940912820.1499295124420.05402847406870.1034635012440.296486813170.0179463659311-0.05822737110390.2719830809360.05832444245940.268393633678-14.4256303061-12.201117878176.0593427111
123.274010228970.0461408764209-0.09739494099192.369653507750.1531866603382.37662218026-0.04258183198390.107070122781-0.383474431095-0.1227234018910.0642559741558-0.2197186561360.4971226477310.174643670004-0.01142307476440.349199083970.0900615523350.04420704405120.2282739639090.008848372398130.293872863032-11.5403810239-16.587067334462.2588944992
132.259647360111.90406057230.8832064968563.909153363020.3723421161183.57728091221-0.214836458917-0.124869469889-0.0713149148948-0.3364738291880.03090674426650.1073111141940.2814625328230.05874646873570.1162303638160.2170688246730.03227090073520.05248793033530.1524543637870.04312786266820.226321490756-16.1413864519-10.760264250168.7710074237
148.372608237032.415091121161.673065488154.814990480341.034919772683.900416151020.006177485587140.4073207908720.2706062444390.3376922945990.1743013304060.5008277229360.225587911451-0.0818627522138-0.1264437519180.2125877490060.007030318603220.01303624464710.195381689948-0.004609545106660.214061039512-20.9252485626-5.2488488843369.6587498336
154.04796965447-0.9582142809540.7718137688534.10592716992-0.5780117930783.640639390910.2042839908120.139654015410.676157698199-0.300957825769-0.19605114013-0.105922410018-0.8057156022110.4079368906110.06136499047850.504125817942-0.08106042096480.02404056137050.3685073761820.01898858252660.454707165181-15.025949851315.035941794667.4456959508
166.353439775010.2859128807050.9994242608614.390148872750.4082709674897.527339396580.343263267986-0.2906915126580.4760914898610.0751470075308-0.281310205647-0.585584525608-0.5454861567180.867314712126-0.122073503960.364144239319-0.0719990542384-0.001945049222670.285932574461-0.01975706324450.351859132292-12.316718427310.451808263171.927629775
173.085519464120.4535391554960.7102569518224.219007038191.243891205254.224432388060.03067840812890.07920391613320.208452935561-0.237184302567-0.07418387909870.0577051406995-0.492617550278-0.0161320373823-0.006168685959370.2269207545440.0565556196786-0.01384004007310.2029022520320.002753711871510.229226091879-23.68383935784.7740955253767.19185885
182.376467364191.16032387599-0.3035019705321.390173294810.6176891373784.21540402771-0.0818030896109-0.303758316977-0.218322488881-0.03928291238670.02073305179290.14068085731-0.248121231731-0.4897215667390.05691097376680.2325418342320.0490827647217-0.03250172758760.199959814399-0.002093995458340.303749786366-23.40098680010.099153466763571.3847040415
192.03280538205-1.74435756542-0.9528630802117.187618856170.7675048173181.787697909430.4042662751761.238332242120.325012784707-1.46155545403-0.312887632594-0.9129202526550.308891092524-0.583828437229-0.1018789383080.3958747782930.02583091576490.01336331195570.3954570595090.04899628356570.296458478466-12.6977776493-33.911707291678.039089133
208.89001041238-3.60881274263-5.052410663633.38958903589-0.8532006178497.26280525837-0.6946475697351.73720938596-1.57053028684-1.07485331057-0.8132224708351.362119957540.116286649798-0.980498088321.506243978741.47417042431-0.3372381978760.1759943163320.863273611396-0.1946972827170.770013446922-5.5194027023-24.559287283176.510048866
212.23859985914-0.2783384604990.4219561901953.13323997612-1.426344384385.165976994570.03568370503530.00779375035017-0.106216699218-0.0747006800287-0.168356811971-0.3339897256260.2256688919660.7114408444180.1381267677220.2202427142660.08649911557580.001760759378140.289810273201-0.01476299797620.250591461649-2.33144229056-42.436192266693.4627186962
223.217066441831.23526227972-0.8962477332212.94073054964-1.500608636533.42160705355-0.0773748899629-0.1372021176750.0676956814856-0.0283303064702-0.0533627045306-0.443637628307-0.1261491964270.84287970197-0.004722435785120.218678560012-0.0520868058045-0.001486844727190.313171887168-0.009688686880070.313286690762-1.56103313015-29.825231340994.8672889818
234.06351417294-0.3395066311940.1294243106912.376377225850.6639323909595.156509024120.05447765684450.06387218553530.24496770814-0.248543018282-0.0107071432961-0.0247154075865-0.2490300793950.440255591553-0.02539954716490.301990545106-0.0103538585726-0.003281865600680.2149103998740.03026705720810.211213528702-10.9079592148-33.377850116688.5584783789
246.717573508842.619092845462.292003132669.08724056239-1.291274207627.583551119430.10590341331-1.50459407802-1.05172829820.890829822319-0.21278799140.9333668340770.937581045541-0.310096133360.1528392968880.452302301178-0.08812708743860.01511384739890.6118741444350.1395978478030.38732481891-30.7952195141-41.100732652994.9209868496
254.207719162980.7507702723121.842101866262.59130671272-0.1804530175283.38789080558-0.114976141074-0.4670562958460.176359826372-0.1182053880030.08694507702790.155669706952-0.251935019513-0.6244941025710.01113245358090.284715319189-0.01334800461230.004426678321020.3534463594830.001323343193880.2585833411-32.6611453791-34.788196825486.9469457217
264.019363228481.208316757652.011167461741.535407602160.6834717296784.73636083687-0.0108960992476-0.208389660990.1969839018670.0772644388903-0.1086819931770.0898591501012-0.0569017376271-0.3513640574250.1089471410650.2903235213930.0573781694133-0.06067284954680.192387811117-0.02527552283820.226530247763-22.6648163031-26.747271738591.1135643211
274.648420331522.08338974421.383453699564.871620559190.1446331452474.54904671419-0.1697801997740.1382750097890.337451516834-0.4784217597240.042506905328-0.0785000146544-0.4289086098470.1427346158750.0999433215550.2142065319070.0317986655806-0.03916564290510.2325454795890.02754830789050.181992573323-17.968813931-27.695314752186.1013827217
289.094433960394.54417404601-0.4178969759713.88628886553-1.379693827456.93482896025-0.2941783137640.701721091449-0.431129302853-1.940326004910.0896461168021-0.1349283191360.3957464088850.210869121260.1651909611520.4086817440740.103722417794-0.03612019190460.451815715979-0.0709067348670.288628683161-46.2386261826-0.38763702662777.3305660404
295.856644943880.9773112588562.314308009035.179081826680.7079945807712.157984792430.044431889810.429797123211-0.0158708018295-0.653830546389-0.05366785748720.08017542975050.04478752819740.386082866096-0.01810022310720.2648793912140.1115300146110.06093494572660.430431703099-0.1027108214590.272613909271-36.9559744065-6.8365510584484.337118354
305.634504223261.85809303042-3.059309436846.83705547686-1.527476168745.721866658170.139263099369-0.561968404936-0.3503913000730.530054591756-0.3202168159720.08695677441250.191405798670.6640272568140.2664607287880.3386293664480.0503788971904-0.01528777526830.3002499843290.02444063811370.222366322013-36.5927909134-11.6427210855101.403665214
312.33754252613-0.20817616309-0.3910066033131.92491051218-1.320763246922.94395882253-0.0793216801553-0.209031756407-0.00888745667091-0.0490224577982-0.0305582195698-0.182403200475-0.02835339164720.4296846770760.08286240959570.2095962542230.0494687757967-0.02072259075750.248164122238-0.03405191796010.202832301347-36.3618748986-2.2243091304390.7650135955
323.03730021274-2.469831201781.085362714474.146356287861.319076687323.965439716820.243870229727-0.238023858251.00530111843-0.19599287923-0.147425835426-0.115183341283-0.257563772540.365659117263-0.0857591084120.2417429730390.0341754858305-0.02245311467780.199262577545-0.01546211450160.254095730809-43.50289740714.5178456765686.5368371292
331.86458663438-1.245548763840.2855658980182.99617748301-0.08629727924423.199406372270.21860971525-0.689227860256-1.096125181190.154142414296-0.09116566180350.167305784020.482682053495-0.594738274499-0.06584119977060.284481220513-0.05549354121990.04133549996650.5830417002620.08092737965850.601897114539-65.32420452260.56586592969695.5271234447
345.321691053020.09515023968642.670117413711.47515547556-0.3088269532362.27079927015-0.0512736186792-0.265166985588-0.4726171711170.03932519172320.229020076136-0.0314734477391-0.207308919543-0.335687444419-0.1483008610110.2659286991990.07309257899720.003157809565910.377571805709-0.02100862292310.311764755092-57.10380349035.1399711811591.6692528142
356.596074313932.536036871814.284652358735.48084652548-0.1914852174573.522626081190.256397503290.672224866845-0.333230377328-1.27217596574-0.06588041675980.190283389790.907690083560.972082749562-0.1687749822230.3867773434430.116987921189-0.0694477375410.447842482952-0.06066800272690.368824811084-58.5168807442.4385210259176.5247999084
364.79639783437-0.6642881257771.525148806024.29397327169-0.2304362814383.53177342180.1783254714370.2550176852390.367192917018-0.409139299739-0.264788991567-0.0438624023992-0.370020418241-0.07726580715830.1131780159620.1911015109730.0338400334503-0.003300649411550.263276236490.01957453879390.232936228328-51.43705576378.8466574862687.4335211259
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 4 through 15)
2X-RAY DIFFRACTION2chain 'A' and (resid 16 through 33 )
3X-RAY DIFFRACTION3chain 'A' and (resid 34 through 53 )
4X-RAY DIFFRACTION4chain 'A' and (resid 54 through 91 )
5X-RAY DIFFRACTION5chain 'A' and (resid 92 through 137 )
6X-RAY DIFFRACTION6chain 'A' and (resid 138 through 144 )
7X-RAY DIFFRACTION7chain 'A' and (resid 145 through 156 )
8X-RAY DIFFRACTION8chain 'A' and (resid 157 through 183 )
9X-RAY DIFFRACTION9chain 'A' and (resid 184 through 227 )
10X-RAY DIFFRACTION10chain 'B' and (resid 4 through 15 )
11X-RAY DIFFRACTION11chain 'B' and (resid 16 through 27 )
12X-RAY DIFFRACTION12chain 'B' and (resid 28 through 84 )
13X-RAY DIFFRACTION13chain 'B' and (resid 85 through 104 )
14X-RAY DIFFRACTION14chain 'B' and (resid 105 through 118 )
15X-RAY DIFFRACTION15chain 'B' and (resid 119 through 142 )
16X-RAY DIFFRACTION16chain 'B' and (resid 143 through 155 )
17X-RAY DIFFRACTION17chain 'B' and (resid 156 through 198 )
18X-RAY DIFFRACTION18chain 'B' and (resid 199 through 227 )
19X-RAY DIFFRACTION19chain 'C' and (resid 4 through 13 )
20X-RAY DIFFRACTION20chain 'C' and (resid 14 through 18 )
21X-RAY DIFFRACTION21chain 'C' and (resid 19 through 64 )
22X-RAY DIFFRACTION22chain 'C' and (resid 65 through 89 )
23X-RAY DIFFRACTION23chain 'C' and (resid 90 through 118 )
24X-RAY DIFFRACTION24chain 'C' and (resid 119 through 129 )
25X-RAY DIFFRACTION25chain 'C' and (resid 130 through 153 )
26X-RAY DIFFRACTION26chain 'C' and (resid 154 through 200 )
27X-RAY DIFFRACTION27chain 'C' and (resid 201 through 227 )
28X-RAY DIFFRACTION28chain 'D' and (resid 4 through 14 )
29X-RAY DIFFRACTION29chain 'D' and (resid 15 through 35 )
30X-RAY DIFFRACTION30chain 'D' and (resid 36 through 51 )
31X-RAY DIFFRACTION31chain 'D' and (resid 52 through 101 )
32X-RAY DIFFRACTION32chain 'D' and (resid 102 through 118 )
33X-RAY DIFFRACTION33chain 'D' and (resid 119 through 136 )
34X-RAY DIFFRACTION34chain 'D' and (resid 137 through 180 )
35X-RAY DIFFRACTION35chain 'D' and (resid 181 through 191 )
36X-RAY DIFFRACTION36chain 'D' and (resid 192 through 227 )

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