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- PDB-7uxt: Crystal structure of ligand-free SeThsA -

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Basic information

Entry
Database: PDB / ID: 7uxt
TitleCrystal structure of ligand-free SeThsA
ComponentsUSG protein
KeywordsHYDROLASE / cADPR isomer / bacterial TIR / Thoeris defense system / ThsA / ThsB / antiphage defense / NAD+
Function / homologyTRIETHYLENE GLYCOL / :
Function and homology information
Biological speciesStreptococcus equi (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.4 Å
AuthorsShi, Y. / Masic, V. / Mosaiab, T. / Nanson, J.D. / Kobe, B. / Ve, T.
Funding support Australia, 2items
OrganizationGrant numberCountry
Australian Research Council (ARC) Australia
National Health and Medical Research Council (NHMRC, Australia) Australia
CitationJournal: Science / Year: 2022
Title: Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Authors: Mohammad K Manik / Yun Shi / Sulin Li / Mark A Zaydman / Neha Damaraju / Samuel Eastman / Thomas G Smith / Weixi Gu / Veronika Masic / Tamim Mosaiab / James S Weagley / Steven J Hancock / ...Authors: Mohammad K Manik / Yun Shi / Sulin Li / Mark A Zaydman / Neha Damaraju / Samuel Eastman / Thomas G Smith / Weixi Gu / Veronika Masic / Tamim Mosaiab / James S Weagley / Steven J Hancock / Eduardo Vasquez / Lauren Hartley-Tassell / Nestoras Kargios / Natsumi Maruta / Bryan Y J Lim / Hayden Burdett / Michael J Landsberg / Mark A Schembri / Ivan Prokes / Lijiang Song / Murray Grant / Aaron DiAntonio / Jeffrey D Nanson / Ming Guo / Jeffrey Milbrandt / Thomas Ve / Bostjan Kobe /
Abstract: Cyclic adenosine diphosphate (ADP)-ribose (cADPR) isomers are signaling molecules produced by bacterial and plant Toll/interleukin-1 receptor (TIR) domains via nicotinamide adenine dinucleotide ...Cyclic adenosine diphosphate (ADP)-ribose (cADPR) isomers are signaling molecules produced by bacterial and plant Toll/interleukin-1 receptor (TIR) domains via nicotinamide adenine dinucleotide (oxidized form) (NAD) hydrolysis. We show that v-cADPR (2'cADPR) and v2-cADPR (3'cADPR) isomers are cyclized by O-glycosidic bond formation between the ribose moieties in ADPR. Structures of 2'cADPR-producing TIR domains reveal conformational changes that lead to an active assembly that resembles those of Toll-like receptor adaptor TIR domains. Mutagenesis reveals a conserved tryptophan that is essential for cyclization. We show that 3'cADPR is an activator of ThsA effector proteins from the bacterial antiphage defense system termed Thoeris and a suppressor of plant immunity when produced by the effector HopAM1. Collectively, our results reveal the molecular basis of cADPR isomer production and establish 3'cADPR in bacteria as an antiviral and plant immunity-suppressing signaling molecule.
History
DepositionMay 6, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 7, 2022Provider: repository / Type: Initial release
Revision 1.1Sep 14, 2022Group: Database references / Category: citation / citation_author
Item: _citation.page_first / _citation.page_last ..._citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID
Revision 1.2Oct 12, 2022Group: Database references / Category: citation / Item: _citation.journal_volume
Revision 1.3Apr 3, 2024Group: 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: USG protein
A: USG protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)114,4834
Polymers114,2412
Non-polymers2422
Water00
1
B: USG protein
A: USG protein
hetero molecules

B: USG protein
A: USG protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)228,9668
Polymers228,4814
Non-polymers4854
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation3_555-x,y,-z+1/21
Buried area14850 Å2
ΔGint-47 kcal/mol
Surface area80640 Å2
MethodPISA
Unit cell
Length a, b, c (Å)98.808, 274.359, 89.540
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number20
Space group name H-MC2221
Space group name HallC2c2
Symmetry operation#1: x,y,z
#2: x,-y,-z
#3: -x,y,-z+1/2
#4: -x,-y,z+1/2
#5: x+1/2,y+1/2,z
#6: x+1/2,-y+1/2,-z
#7: -x+1/2,y+1/2,-z+1/2
#8: -x+1/2,-y+1/2,z+1/2
Noncrystallographic symmetry (NCS)NCS oper: (Code: givenMatrix: (0.579149119619, 0.00649009903794, -0.815195789893), (0.00147367386647, -0.999975010468, -0.00691424072709), (-0.815220292639, 0.00280304369831, -0.579144211243)Vector: ...NCS oper: (Code: given
Matrix: (0.579149119619, 0.00649009903794, -0.815195789893), (0.00147367386647, -0.999975010468, -0.00691424072709), (-0.815220292639, 0.00280304369831, -0.579144211243)
Vector: 17.8261537534, 99.1039994901, 34.9994940672)

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Components

#1: Protein USG protein / SeThsA


Mass: 57120.367 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Streptococcus equi (bacteria) / Gene: GBL60_08830 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A8I2F269
#2: Chemical ChemComp-PGE / TRIETHYLENE GLYCOL


Mass: 150.173 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C6H14O4
#3: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C3H8O3
Has ligand of interestN

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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: 2.66 Å3/Da / Density % sol: 53.69 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop
Details: 0.1 M MES, pH 6.0, 0.2 M potassium sodium tartrate tetrahydrate, 28-30% PEG smear low

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX1 / Wavelength: 0.9537 Å
DetectorType: DECTRIS EIGER2 X 9M / Detector: PIXEL / Date: Nov 5, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9537 Å / Relative weight: 1
ReflectionResolution: 3.4→92.96 Å / Num. obs: 17169 / % possible obs: 99.8 % / Redundancy: 6.1 % / Biso Wilson estimate: 126.21 Å2 / CC1/2: 0.995 / Rmerge(I) obs: 0.112 / Rpim(I) all: 0.049 / Rrim(I) all: 0.123 / Net I/σ(I): 6.7
Reflection shellResolution: 3.4→3.67 Å / Redundancy: 6.3 % / Rmerge(I) obs: 1.307 / Mean I/σ(I) obs: 1.4 / Num. unique obs: 3473 / CC1/2: 0.396 / Rpim(I) all: 0.555 / Rrim(I) all: 1.422 / % possible all: 99.9

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
MOSFLMdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: Alphafold model of SeThsA

Resolution: 3.4→74.98 Å / SU ML: 0.5268 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 34.2005
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2912 848 4.94 %
Rwork0.2351 16301 -
obs0.238 17149 99.75 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 145.61 Å2
Refinement stepCycle: LAST / Resolution: 3.4→74.98 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7559 0 16 0 7575
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00337708
X-RAY DIFFRACTIONf_angle_d0.640910366
X-RAY DIFFRACTIONf_chiral_restr0.04141133
X-RAY DIFFRACTIONf_plane_restr0.00421335
X-RAY DIFFRACTIONf_dihedral_angle_d13.00042927
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.4-3.610.37771280.35512679X-RAY DIFFRACTION99.89
3.61-3.890.37471300.31652688X-RAY DIFFRACTION99.82
3.89-4.280.35311540.27382677X-RAY DIFFRACTION99.75
4.28-4.90.2681380.23732705X-RAY DIFFRACTION99.93
4.9-6.180.31331550.25262700X-RAY DIFFRACTION99.62
6.18-74.980.24671430.18282852X-RAY DIFFRACTION99.5
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)
10.5282329945021.28405946435-0.7262575557425.862941173440.872118155832.572592076270.5495605873740.4163296975050.550648773087-1.70892538793-0.106115597938-0.00789963408522-0.480402419837-0.330213690724.47113078234E-61.59812369035-0.0534950218580.2043384313621.424998059370.1741471662881.3557367689811.32473.5110.823
20.494723997193-0.4781120234230.4451493814320.131730462921-0.1976959173570.0983646235927-0.83439096883-0.179307528665-0.286427970991.04615701508-0.478515402835-0.506439476249-0.2394183956761.91617214023-0.0006383016587271.7219151707-0.4303530996160.0861927589952.33825619020.474163703391.8330794393832.84765.47216.255
30.272580773557-0.3721292963340.1322061819480.329608830229-0.106629259007-0.003182510512360.339630658903-0.7423403179260.784341968755-1.1361677596-1.68903986541-2.394944077181.29919302776-0.5262033363190.000103920598931.272031232680.0474774103430.3176189601912.28718020565-0.1178566243932.0439925355438.84752.6217.518
42.00441263789-0.488351411072-1.428957263080.706729096360.1639815828630.880211689127-0.3489303899080.3130456710230.1826930089112.3742329275-0.13610025234-0.665516743567-0.0131618278650.7652785205210.006411566721951.21178222937-0.0992098546484-0.2561462425771.495174321630.07671059880641.3980115789230.17852.4124.567
51.395331910351.95534691363-0.4606564581221.42527997103-1.080869396260.005249663317290.0521848462225-0.3305367944540.08907472685962.567896891550.490841325979-0.778938187199-1.806017371460.345044855311-0.002056098122231.79357322643-0.0972537104735-0.03213338295061.467322578920.01219212498691.6291861324428.57772.99121.614
62.54011822503-0.7938517412181.420649893231.006821226871.613740463293.60604532432-0.1360450318050.6040093206250.0161369801268-0.227182602277-0.600370487745-0.840814182525-1.056618095920.00341506702386-2.642302763631.26523407913-0.0845473385459-0.1048244334821.292791741350.132397485721.096773166816.17475.08116.158
71.53099859338-0.58041588180.7548747164660.7504450482810.7523997900111.400431310080.760208112496-0.4340791116311.387710511612.61661749525-0.130243255824-0.0939201653483-2.309975513140.2547736348059.82169664335E-51.48715541815-0.186427731562-0.03155470804271.63747301274-0.03940481091551.4196378439814.59379.11523.033
81.42612769253-0.6278550800250.03352522828850.7635350902860.0633902077728-0.02913611999470.0543354316103-3.20464080006-2.471779551581.06420698763-0.3512832924370.660808246793-2.094140044231.806663283140.002984302376831.49889200443-0.1293028916180.1109721064992.007782249110.2140902136980.9929721769376.34264.31229.399
91.06075617451.47698908335-0.2491459289611.67445393998-0.3748119233571.20308837432-0.318145460345-1.351561691940.300392112661.417952059360.5806945293432.96284440153-1.4458698170.05624890812910.0004002817746221.69261155483-0.02483763543240.1778982317171.17981670660.03899483661481.655509043096.44174.71423.829
101.05513616533-0.905047477728-0.03904166030961.089141481161.027258864160.7381874088140.4299731158280.3761468378120.5166861233711.535439885270.0576393202113-1.222263042330.3504771268770.1357943991470.0002833381799330.7877444529480.0737512737001-0.07862871303161.658431840840.02157338863731.4435151250518.87757.33124.701
111.39047022568-1.7102884229-1.200881455631.431267070041.237559702623.42687737958-0.0622519133067-0.4229290895310.451447802305-0.07370001556320.06286273383270.08386374408980.790142226786-0.458087352149-8.10771503203E-60.913027242471-0.1459053739070.1637326129291.252069324110.1235788699241.329308889478.12663.8615.477
120.545210084779-1.05216493306-0.05981717545972.72435838811-1.634636205842.14696475978-0.8137497563480.544338878085-0.4192399310961.20206986548-0.3675603746330.02983843408140.9708817885411.940802359142.67571574237E-50.941468149363-0.07929441869890.3223064279061.5279873885-0.03752772820551.4662350435216.73957.8549.108
130.4535078784580.793181785384-0.2206795391310.7541927752710.06111611921771.100259675010.6851564342850.581157048814-1.53868477335-3.2373415491-1.431050807250.579234005252-0.915737831857-1.33817273723-0.05797351195121.59574259184-0.225460844979-0.1637652708251.71597053115-0.02723205925741.193022344953.90563.6372.595
140.4577105132950.3742995604310.3660672572840.3023696584430.1367700809280.471779825239-0.232828722642-0.9244741471970.4855816542940.4758222321210.548886861963-1.813329116241.75796209402-0.06302924261890.00250478593261.66780091603-0.2535082054970.4174797701132.095052364750.156399144871.9481857615230.32163.825-4.857
153.14025836797-0.147822437642-1.416095337970.1928272287810.4706375104571.692355509180.09744058970010.6434484406860.262683538478-0.2076475012570.117504750208-1.29737528791-0.02685234776860.873411003785.71670707664E-51.56430725881-0.3300760290970.1616334335191.577650654130.1244489924041.2156486816419.86167.565-0.809
163.184730700191.383276092632.63936323572.23251765564-0.7940592344822.5389752782-1.100327147920.237539849330.299705543967-0.9775112704690.794384651132-0.592143288489-0.769848290621-0.804472485130.000167182948762.22609316078-0.0239365917441-0.2314257521741.453145692690.340800331382.073639523083.494106.4218.606
171.8877938147-0.6098124152882.36628026781.19079352411-0.74840537572.33001312833-0.294306420675-0.5802498529580.386019984862-0.3935348795920.7882184058560.766477031412-0.244334096646-0.1143408112250.0002042386048131.8467289024-9.24599675767E-5-0.09628855664991.43306848565-0.03961445630381.60683314268-2.869100.14113.327
182.673014543750.857800762942-0.4318898051625.00639701338-3.825083084262.12572483117-0.444007255423-0.3502170056730.131940389416-0.856363926966-0.0245787063133-0.56767193536-1.607001988690.4736233751210.0001816681488971.96298398656-0.317045566662-0.2950440219411.696421528280.1638572340851.7597677954514.792105.30316.163
19-0.01333388682390.861302711595-1.525848721331.22721745941-2.402356454654.073178374680.6116349241940.165407092067-0.3669305477410.507144674835-0.843125885871-0.312248313165-1.543018781140.5551660841050.0001267797472352.95581815139-0.483121931869-0.2762440239521.880118119980.4890012403792.403211150610.367108.716-3.067
200.34405853180.2726080010740.1394289942090.5177128809560.6933675478710.5171816585430.8112832409163.165863413692.28340889122-0.346311214744-2.403604188960.207892131161-1.65888553298-0.650289781468-0.006394857429932.71671363231-0.154822251924-0.4343024522821.675897384570.4203340711472.223329054371.048100.412-2.31
210.4385720458751.02509413505-0.9025146189471.24788285888-1.363078603661.657793780240.8049968616210.195782172302-0.03935361911111.25193559492-0.718358372641-1.47593611381-1.3659380289-1.027965737413.90661454486E-51.491273829870.333529661878-0.1835436701472.05885870128-0.111069494821.4622409450826.53924.20628.47
221.64796328022-0.0772621624951.069020734291.679053895850.7169100861580.927905124817-0.605294287943-0.04995404024-1.44781804144-0.4593390990270.0574497002131-1.535575314041.56839155651-0.845023123719-0.001897925391451.246384923550.2631747387690.2118911876321.2531437678-0.1431913593881.6068521710716.84826.34818.003
231.286468748430.6553749565421.349618381640.3175655813630.1548749895560.91652775459-0.3355094831410.651970660869-1.81439875036-1.33756392648-0.0907127203787-0.4618519855041.193052777781.42340649016-4.49596490669E-51.625363669410.2464418617270.2617294843762.21317428112-0.2392615148251.9040929745924.00937.775-4.649
242.417894103620.470807622833-1.764704357443.59133710951-1.833067158733.399468342560.4856248910621.17106107397-0.443848874616-1.10914889641-0.0774816425084-0.2383214807781.81843711920.6941043055574.34290598924E-51.604280312820.03869208160740.1073751702441.60126143917-0.1093694802391.3180308173518.29644.665-4.027
252.56577834851-1.006510336662.653847924861.29465310293-1.435491410561.859240297351.176202042480.896408122011-1.01057233156-1.86271343402-0.5312790027020.7465620356521.023107957350.675001287461-9.41964864077E-51.689608512050.3576125314990.03186349073241.52653077896-0.1338400845891.3948591520816.37422.2669.83
260.872646025104-0.3271607674170.8100625505480.182194259157-0.4198839828270.8056044912350.0340778096759-0.0834703404408-0.467082759416-2.702997545810.2783385925380.212051306481.859357342230.39844829159-0.0008412839133251.763338267150.106369619413-0.08433267907611.47958859068-0.2178786378661.4735264453911.80320.8016.859
272.595062411460.9771927608920.1299373830410.4247491512350.151521682290.954679543770.5765244378920.675226510853-1.26864092088-0.457586294363-0.006701843704331.650059956580.621283502047-1.634186799060.0001223442217361.591152095230.194976908225-0.08857293433051.576705388540.0912353273381.245086315251.07628.79112.102
280.651109666789-0.3729260734990.5363778229921.342655318420.02662752680760.410732641244-1.22110254415-0.129397514325-0.708555930382-0.4787607617780.6834483562491.520880393031.77169784561-2.366870115650.001313469510341.69503076760.19552108310.0245184541781.51456434539-0.1418831792931.826604040682.62824.47916.307
293.00043589999-0.2228861400290.3592885410650.349586793323-0.8364127189641.79907044826-0.211085452003-0.05700717117520.403945506252-1.7527577569-0.1504975655211.655063156920.1201234548510.0983322885602-0.0003790585609751.595679763030.04355697484210.1260746343711.31174293513-0.05034002543771.363721590449.3641.4365.363
301.06807515955-0.6897647626420.1299438296780.9060392447580.5106819932110.352243025840.539997497951.077666762540.5780295094-0.6301986594240.879683038361.09957220244-1.93349924255-1.361541665090.001290812900041.352825257080.03864744782320.02090207015681.2336793516-0.05957241295881.747124783973.68740.5414.563
310.2449180807490.03308738802120.3072508862750.4547975580980.147200755005-0.012555541164-0.399037695921-0.694291266937-0.362449724249-0.123214696074-0.435955624296-0.883622396127-1.17446137655-0.485057817506-0.0008604039106331.380727993560.2748963687870.1569984778031.040705464830.0513852980671.1536272877413.28632.03523.693
324.74857747554-2.93573721894-0.5766486084454.89017160727-1.613642410090.9151365907590.456317387488-0.4734477476410.617221016975-0.0344525060225-0.105432481958-0.7667582954690.5573589415051.30054142251-6.63763841384E-51.219856900020.1049258143780.04686295879321.41564592622-0.1665227851081.2336675180620.12438.28420.866
330.511804805274-0.2127678177020.3000942916290.4321820378510.0529969647230.38119320422-1.11497445985-0.3177127410420.934747793785-2.08185162592-0.0483581339046-2.396833999810.8064897346261.60806048501-0.0002791523368771.438654879930.170812006652-0.03882513231962.29619660689-0.4997117006252.4651932509640.48135.21412.526
340.483264222942-0.7938099155460.6159488301981.14663860439-1.685361368241.140319586660.2338371547111.64668166258-2.06388936048-0.301600803458-0.0316479514344-0.789307146239-0.5879348573261.25803343499-0.001410577418271.103826156060.038041353474-0.08409683907111.68114294102-0.1795725905081.5789957482531.84640.93321.128
351.383214291040.8905936040760.6477743565450.2011364345730.4343563255450.18313504462-0.366755748388-0.608004861868-0.649564582846-0.8477919622610.396957500933-2.406651583960.469614167721.87128143861-0.0002168328596151.613364647880.398814903538-0.006486319376451.59429628083-0.1479697058231.6489061741930.323.97817.391
36-0.1142184791850.1400135900980.009546396024970.0762295852975-0.3990792699881.100144116090.1554222078871.73169419131.3803849655-0.4820362263950.0958151911443-2.015477044952.53022180252-0.446144500929-0.007096891710471.996538431780.25701007213-0.1585500302721.437321120890.09763184004772.3656046758619.5137.23323.468
370.631696151342-0.386795201725-0.2364634095150.1526427261320.441249902416-0.210662626492-1.35907752752-0.518434748327-0.7655412412631.284297777440.732624083904-1.130951960210.9681810052091.272152769370.006748138280933.214595289870.511432964674-0.07046159155091.574514933430.3813546776171.8292354989510.194-13.13931.119
383.035652373051.2046771093-1.086154946690.2559545049610.05805297073672.332964566460.375626524389-0.956311386769-1.284205850910.782748240830.453999542833-0.0297917764050.837106264663-0.8448617573870.0006734742948843.023588510030.332803475419-0.3711060585781.505982231610.1992215406251.862064815675.361-1.01127.726
391.90277181235-2.305478440670.4584188642922.42168937068-1.59022059977-0.0544078011883-0.3807721174070.292302916287-0.438405200803-0.3032965496720.233899366505-0.6688880480480.4586169458530.3998711580140.0002438212795762.332639341650.2982310424160.01498090456791.65317856574-0.1615790011361.7243683834314.502-6.27213.996
401.584583759291.075041574232.244428894280.5716063252271.200232893191.620225296780.493776732182-0.236105538451-0.953238022705-1.02242125117-0.457928172860.06102679698271.02051531847-0.1875206318713.06844460149E-52.322841654770.541846013298-0.006510196736791.87168798860.2821281369212.5967319211825.077-7.1930.954
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 2:34 )A2 - 34
2X-RAY DIFFRACTION2( CHAIN A AND RESID 35:48 )A35 - 48
3X-RAY DIFFRACTION3( CHAIN A AND RESID 49:62 )A49 - 62
4X-RAY DIFFRACTION4( CHAIN A AND RESID 63:81 )A63 - 81
5X-RAY DIFFRACTION5( CHAIN A AND RESID 82:98 )A82 - 98
6X-RAY DIFFRACTION6( CHAIN A AND RESID 99:117 )A99 - 117
7X-RAY DIFFRACTION7( CHAIN A AND RESID 118:133 )A118 - 133
8X-RAY DIFFRACTION8( CHAIN A AND RESID 134:140 )A134 - 140
9X-RAY DIFFRACTION9( CHAIN A AND RESID 141:151 )A141 - 151
10X-RAY DIFFRACTION10( CHAIN A AND RESID 152:175 )A152 - 175
11X-RAY DIFFRACTION11( CHAIN A AND RESID 176:197 )A176 - 197
12X-RAY DIFFRACTION12( CHAIN A AND RESID 198:216 )A198 - 216
13X-RAY DIFFRACTION13( CHAIN A AND RESID 217:226 )A217 - 226
14X-RAY DIFFRACTION14( CHAIN A AND RESID 227:240 )A227 - 240
15X-RAY DIFFRACTION15( CHAIN A AND RESID 241:275 )A241 - 275
16X-RAY DIFFRACTION16( CHAIN A AND RESID 276:306 )A276 - 306
17X-RAY DIFFRACTION17( CHAIN A AND RESID 307:352 )A307 - 352
18X-RAY DIFFRACTION18( CHAIN A AND RESID 353:415 )A353 - 415
19X-RAY DIFFRACTION19( CHAIN A AND RESID 416:454 )A416 - 454
20X-RAY DIFFRACTION20( CHAIN A AND RESID 455:470 )A455 - 470
21X-RAY DIFFRACTION21( CHAIN B AND RESID 4:22 )B4 - 22
22X-RAY DIFFRACTION22( CHAIN B AND RESID 23:35 )B23 - 35
23X-RAY DIFFRACTION23( CHAIN B AND RESID 36:55 )B36 - 55
24X-RAY DIFFRACTION24( CHAIN B AND RESID 56:87 )B56 - 87
25X-RAY DIFFRACTION25( CHAIN B AND RESID 88:113 )B88 - 113
26X-RAY DIFFRACTION26( CHAIN B AND RESID 114:126 )B114 - 126
27X-RAY DIFFRACTION27( CHAIN B AND RESID 127:140 )B127 - 140
28X-RAY DIFFRACTION28( CHAIN B AND RESID 141:151 )B141 - 151
29X-RAY DIFFRACTION29( CHAIN B AND RESID 152:174 )B152 - 174
30X-RAY DIFFRACTION30( CHAIN B AND RESID 175:183 )B175 - 183
31X-RAY DIFFRACTION31( CHAIN B AND RESID 184:195 )B184 - 195
32X-RAY DIFFRACTION32( CHAIN B AND RESID 196:227 )B196 - 227
33X-RAY DIFFRACTION33( CHAIN B AND RESID 228:239 )B228 - 239
34X-RAY DIFFRACTION34( CHAIN B AND RESID 240:256 )B240 - 256
35X-RAY DIFFRACTION35( CHAIN B AND RESID 257:274 )B257 - 274
36X-RAY DIFFRACTION36( CHAIN B AND RESID 275:286 )B275 - 286
37X-RAY DIFFRACTION37( CHAIN B AND RESID 287:312 )B287 - 312
38X-RAY DIFFRACTION38( CHAIN B AND RESID 313:355 )B313 - 355
39X-RAY DIFFRACTION39( CHAIN B AND RESID 356:415 )B356 - 415
40X-RAY DIFFRACTION40( CHAIN B AND RESID 416:470 )B416 - 470

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