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- PDB-6ui1: Crystal structure of BoNT/A-LCHn domain in complex with VHH ciA-D... -

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Basic information

Entry
Database: PDB / ID: 6ui1
TitleCrystal structure of BoNT/A-LCHn domain in complex with VHH ciA-D12, ciA-B5, and ciA-H7
Components
  • BoNT/A
  • ciA-B5
  • ciA-D12
  • ciA-H7
KeywordsTOXIN/ANTITOXIN / Botulinum neurotoxin (BoNT) / VHH / receptor-binding domain / TOXIN / ANTITOXIN / TOXIN-ANTITOXIN complex
Function / homology
Function and homology information


bontoxilysin / host cell presynaptic membrane / host cell cytoplasmic vesicle / host cell cytosol / protein transmembrane transporter activity / metalloendopeptidase activity / toxin activity / host cell plasma membrane / proteolysis / extracellular region ...bontoxilysin / host cell presynaptic membrane / host cell cytoplasmic vesicle / host cell cytosol / protein transmembrane transporter activity / metalloendopeptidase activity / toxin activity / host cell plasma membrane / proteolysis / extracellular region / zinc ion binding / membrane
Similarity search - Function
Clostridium botulinum neurotoxin B, "coiled-coil" domain / Clostridium botulinum neurotoxin b, "coiled-coil" domain / Zincin-like / Metalloproteases ("zincins"), catalytic domain like / Clostridium neurotoxin, translocation / Clostridium neurotoxin, Translocation domain / Clostridium neurotoxin, translocation domain / Clostridium neurotoxin, receptor-binding C-terminal / Clostridium neurotoxin, C-terminal receptor binding / Clostridial neurotoxin zinc protease ...Clostridium botulinum neurotoxin B, "coiled-coil" domain / Clostridium botulinum neurotoxin b, "coiled-coil" domain / Zincin-like / Metalloproteases ("zincins"), catalytic domain like / Clostridium neurotoxin, translocation / Clostridium neurotoxin, Translocation domain / Clostridium neurotoxin, translocation domain / Clostridium neurotoxin, receptor-binding C-terminal / Clostridium neurotoxin, C-terminal receptor binding / Clostridial neurotoxin zinc protease / Botulinum/Tetanus toxin, catalytic chain / Clostridium neurotoxin, receptor binding N-terminal / Clostridium neurotoxin, N-terminal receptor binding / Kunitz inhibitor STI-like superfamily / Neutral zinc metallopeptidases, zinc-binding region signature. / Concanavalin A-like lectin/glucanase domain superfamily / Alpha-Beta Complex / Up-down Bundle / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
Botulinum neurotoxin type A / Bontoxilysin-A
Similarity search - Component
Biological speciesClostridium botulinum (bacteria)
Vicugna pacos (alpaca)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.20000858936 Å
AuthorsLam, K. / Jin, R.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) United States
National Institutes of Health/National Cancer Institute (NIH/NCI) United States
CitationJournal: Cell Rep / Year: 2020
Title: Structural Insights into Rational Design of Single-Domain Antibody-Based Antitoxins against Botulinum Neurotoxins
Authors: Lam, K. / Tremblay, J.M. / Vazquez-Cintron, E. / Perry, K. / Ondeck, C. / Webb, R. / McNutt, P.M. / Shoemaker, C.B. / Jin, R.
History
DepositionSep 29, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 4, 2020Provider: repository / Type: Initial release
Revision 1.1Oct 11, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.2Oct 23, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: BoNT/A
B: ciA-H7
C: ciA-D12
D: ciA-B5


Theoretical massNumber of molelcules
Total (without water)141,7554
Polymers141,7554
Non-polymers00
Water9,440524
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area6080 Å2
ΔGint-15 kcal/mol
Surface area49380 Å2
MethodPISA
Unit cell
Length a, b, c (Å)141.04, 89.36, 143.69
Angle α, β, γ (deg.)90.0, 118.93, 90.0
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

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Components

#1: Protein BoNT/A / BoNT/A1 neurotoxin / Bont/A1 / Botulinum neurotoxin type A / Neurotoxin A / Neurotoxin BoNT / ...BoNT/A1 neurotoxin / Bont/A1 / Botulinum neurotoxin type A / Neurotoxin A / Neurotoxin BoNT / Neurotoxin type A / Peptidase M27


Mass: 100030.023 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Clostridium botulinum (bacteria) / Gene: a, A, boNT, bont, bonta, ACP52_06670 / Production host: Escherichia coli (E. coli)
References: UniProt: Q7B8V4, UniProt: P0DPI1*PLUS, bontoxilysin
#2: Antibody ciA-H7


Mass: 13133.512 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Vicugna pacos (alpaca) / Production host: Escherichia coli (E. coli)
#3: Antibody ciA-D12


Mass: 14404.154 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Vicugna pacos (alpaca) / Production host: Escherichia coli (E. coli)
#4: Protein ciA-B5


Mass: 14186.932 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Vicugna pacos (alpaca) / Production host: Escherichia coli (E. coli)
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 524 / Source method: isolated from a natural source / Formula: H2O
Has protein modificationY

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Experimental details

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Experiment

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

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Sample preparation

CrystalDensity Matthews: 2.91 Å3/Da / Density % sol: 57.74 %
Crystal growTemperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6.4 / Details: 11 % PEG 20,000 and 0.1 M sodium cacodylate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL7-1 / Wavelength: 1.12709 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: May 1, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.12709 Å / Relative weight: 1
ReflectionResolution: 2.2→37.74 Å / Num. obs: 75271 / % possible obs: 95 % / Redundancy: 2.6 % / Biso Wilson estimate: 29.5981913921 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.049 / Rpim(I) all: 0.049 / Rrim(I) all: 0.069 / Net I/σ(I): 10.2
Reflection shellResolution: 2.2→2.25 Å / Rmerge(I) obs: 0.208 / Num. unique obs: 4576 / CC1/2: 0.965 / Rpim(I) all: 0.207

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Processing

Software
NameVersionClassification
PHENIX1.9_1692refinement
PHENIX1.9_1692refinement
Blu-Icedata collection
SCALAdata scaling
PHASERphasing
XDSdata reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3V0A

3v0a


Resolution: 2.20000858936→37.1635590417 Å / SU ML: 0.233539670702 / Cross valid method: FREE R-VALUE / σ(F): 1.33647799258 / Phase error: 22.8444478048
RfactorNum. reflection% reflection
Rfree0.228599973817 3774 5.01608229884 %
Rwork0.180585060409 --
obs0.182987256077 75238 94.7832550171 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 34.9171563415 Å2
Refinement stepCycle: LAST / Resolution: 2.20000858936→37.1635590417 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9564 0 0 524 10088
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.008489196766199769
X-RAY DIFFRACTIONf_angle_d1.0875066326613228
X-RAY DIFFRACTIONf_chiral_restr0.04592758542071459
X-RAY DIFFRACTIONf_plane_restr0.004712043378831707
X-RAY DIFFRACTIONf_dihedral_angle_d13.80501766313573
LS refinement shellResolution: 2.20000858936→2.2279 Å
RfactorNum. reflection% reflection
Rfree0.274725339152 145 -
Rwork0.217003227929 2721 -
obs--97.5825672455 %
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)
11.535023440630.05612071847680.382751877750.9944983867660.1734766402910.740870239770.00146797978230.189642089509-0.0747119078867-0.1270055630710.0948877737814-0.04515525127770.1676555952310.1309629757250.003405818320160.2867426643530.006171160899570.0380661167090.191359838175-0.009070637672510.14905435246-31.6178022619-42.547310925319.6305463822
20.906241422566-0.2263067104310.09647223830590.659998828393-0.6257659231120.884232534443-0.07310294531660.02159207086420.0573257014073-0.07580727259540.0828100255527-0.0532577530438-0.0384050341250.1027300674360.002952989296310.1967677533190.01384692619680.02874535227470.190098572087-0.01336162551130.18173771872-30.1291436365-33.529285338323.6758595563
30.3076128622030.04891694220110.3358037438930.322575296501-0.1978900953280.339327398234-0.1349738979710.07754053959460.180674828971-0.09196619248680.0917251997442-0.0709442027673-0.03258737975490.198605049642.15287066919E-70.234752414123-0.01895300638140.01500097131650.251267346824-0.001325594120260.286867275042-29.9721564257-14.85486236222.5020400388
40.897668312122-0.2147691997320.5034188271880.771584918754-0.315501683510.860568610081-0.0479726749725-0.0294224564340.07922928957140.02036623769170.06304440807060.04432322309270.0249965267965-0.07751139678027.38761284026E-60.181695821540.007323778338080.03592908067640.1795421436730.004440741275010.146642301824-38.6829354758-30.375950123129.1564534224
50.607272177943-0.333074995439-0.3160915373970.7776973739480.2804471484040.604932523633-0.03983982744220.2516031431820.0857716294566-0.0872650472504-0.0363106555456-0.0352174827328-0.1458889919220.0159416366113-0.001170363933610.305830905697-0.0427116724523-0.0002474822573020.2988860636670.04518773358510.324268043431-19.7913755033-7.203183533323.2544336278
60.4526129637520.006118031243040.7645780565290.212272986840.4420891616680.721275114804-0.1106875906090.1415501078220.0580574243517-0.2444231050250.1162609013950.05811170445680.00548891759458-0.132114347331-0.003654568357440.3897913368560.007919463720340.04916288904560.2748764357840.02844756722750.315680115589-36.3551053758-28.383427977821.6259743067
70.7331742466550.2630555727710.05423531890350.681603737946-0.5732713805630.812667698699-0.01464203278680.1333364513670.004006929777850.0756019946268-0.120963385885-0.166896370662-0.08635639045590.350717759327.47329929367E-80.226321643235-0.04324851665320.01796572620640.303498698960.0364871501640.3591311362053.29227690724-9.7638383257439.3888374528
80.6447151322620.189002272587-0.3230031612820.7320491625240.3951935371440.893177382512-0.06355512185710.02269818127890.5084241944030.0940222809372-0.165941341062-0.223202659569-0.340736585481-0.124928501694-0.002546581284830.248001713901-0.0171044341521-0.01655866700650.295901820384-0.01648695771880.343979182917-7.6686681846-6.4872756896850.0830073928
90.562226272644-0.593872106874-0.4548743708930.8471702828450.2993442454250.3227137252250.155837698370.2540129995450.1412573267050.110491211418-0.100954720873-0.0419765714056-0.01247566267520.0140248235974-0.0001693029193750.3851173796270.00900662572004-0.02670972930710.2998040530890.00157929843490.386671808585-41.63036065021.7499242206833.5208567259
100.4388186209750.3164669504350.1050498758281.109483274170.1588640434420.5953185366930.0278213343721-0.0140058191754-0.1894223835010.00789427358639-0.08110870271790.0332087173536-0.01670216743240.0665431307326-7.37113373845E-80.222447550135-0.0202483049780.02389738878930.2590443961240.01639455568830.268734761997-7.41848550605-16.468062647345.7034912827
110.9446839929860.795446516159-0.4765015322351.678998888850.03197209774041.17151306573-0.309888684913-0.2628118749060.2520043454850.5875579353180.103160812159-0.16001448220.0760495622306-0.0406158687504-4.40100378032E-80.4042810559820.02919392514010.02031850004170.350734610111-0.04611900226370.407108002336-51.26457977295.1102601391338.3347839787
120.1487951865770.3741802829930.1405683817230.9712806950680.3484887427540.128734374889-0.151908493771-0.08140029987910.1076727367040.147036068175-0.1552230776550.807577441026-0.0377470662981-0.449590976059-0.1051930406220.4443305003450.0522502656056-0.1033490008910.4577872139520.116808377590.469521649716-59.7256054681-7.67365288826.52592569899
130.376787671991-0.300688090614-0.1730648249340.3242975997350.1365118864440.08737493879390.01865383847720.0702662737749-0.361136152471-0.220731894297-0.1450371611490.321103923858-0.0206895738725-0.216934396297-0.004583463818640.566418593894-0.0246486391031-0.02245128169420.3800476358640.06716528890890.335258352759-49.0112185252-15.0656200663-13.3159491217
140.092637290490.04847681195490.06655133914230.03658713880360.01680648767440.0537710735193-0.2514723527830.3017560222580.295155109094-0.1993959553980.2535674928130.156400531143-0.381420787851-0.0113092808797-1.60107417841E-50.469820974916-0.0163628189139-0.06012925000430.3319627238960.06276566664010.251782153517-52.0457323565-7.322781025510.642623500519
150.00503618130979-0.0103720781772-0.003520273533060.0146747896986-0.007880879304130.01353351289190.0227607427255-0.2575397082330.2207615461850.127489860904-0.3367277948780.294633202084-0.872418530694-0.2656719718458.17855767838E-60.5371851916860.112929320347-0.1062350564050.3414958499830.05758881668770.411337291641-51.046050543-5.6879432357615.1632473679
160.355542393646-0.273888202714-0.04206501301290.358237717614-0.2487778016120.325241427277-0.1212658641440.2122844733810.138463459722-0.261390556650.202434740610.1857257975470.0590418483805-0.112579419444-1.67407417117E-70.323857409156-0.0474548893351-0.04781822054860.2777759837480.06932220318460.20082407249-48.4231655595-19.20985541685.00414871897
170.2194112388750.15281848340.1406705783940.184409098118-0.053034883110.238426025099-0.1575175398010.01874826827470.0865409501325-0.1818418325090.304694992361-0.113823421073-0.2834760079860.0959362428782-4.50292697868E-70.445973023462-0.0257556888991-0.01763333609190.3123246403330.0616364728630.278720531564-44.4860787094-11.10167033331.91887404146
180.1008205964520.0727858570148-0.001987500578480.177586136536-0.1062534236170.13246200967-0.173363706030.0662563641413-0.00406257250824-0.2925507341930.1490505696820.06254564579030.12216657433-0.08554384974850.001463245799520.440337696145-0.0699340435769-0.04963188887370.2689063019050.07866193111670.238599015775-49.9238060497-19.0598880655-3.01358481874
190.1151155049320.04753803743570.1744673310450.1035639329980.09987383504620.258298190571-0.131688057794-0.1724972793690.151529877072-0.2280248359970.01225616418360.38777073789-0.101976724871-0.493880251867-0.01504260024350.3454561768170.0296685973424-0.0480999917140.3495084562430.08067096600760.319030686328-57.2655354-14.439298713410.7881502612
200.09063611121060.0386180584070.02561798076920.0628370915661-0.04655410597610.07029723937810.01721263010430.329982580931-0.0654381082022-0.735693195947-0.0376722626644-0.2365374914350.3033275481540.12670688337-0.008742275210040.584226317362-0.0592229852396-0.07015595833420.399161880777-0.002165380233950.303435194385-53.6341245399-18.5909283496-11.0104250121
210.1046478028770.2015429032660.1113303708390.4141365827440.1166772265770.180432540689-0.0352665086361-0.0814368096141-0.0002466456066810.2973475862-0.05959823876940.0386310092176-0.246226689785-0.3483912828860.00317543047630.3290174645950.0678073779433-0.01803713065770.5003422953580.04310988452440.385490798707-10.9054271654-54.787024648158.6827447247
220.0662793941103-0.056064602261-0.03233398909230.1596046782620.1518936511160.128467624245-0.4794355050480.00566175980762-0.5621876309690.1140494961030.2664343618740.2768950102680.045629854569-0.459122738161-0.0003323750353010.3437790610980.0124129563674-0.009124032478950.5436435425190.1172720480930.412398267798-23.414257181-59.418032677156.6714306857
230.122709955637-0.1272349617340.1005634155720.13877505291-0.0703913807620.285871619856-0.0280302308422-0.1230094924350.03016323809520.0432646470980.066222009515-0.0381371625351-0.01983766409150.137132744114-9.52466919125E-100.3040532892530.0488942814256-0.04003756644080.2738044244250.0433167869160.31094380757-14.9759114221-51.443438860347.8830209235
240.352903354992-0.4797425027590.09225527407350.481424202093-0.009815287488050.348843812694-0.0642245955414-0.0696367318273-0.470039200086-0.2010918044330.09035278792440.2788330462280.441884772701-0.0464835795566-5.60674294195E-50.3032576641150.0737354861559-0.05289429007620.3949404817270.05519935902820.380016861362-16.3053045651-63.375223186849.6827508315
250.105158487353-0.06144614111750.1672481310350.194988921996-0.0842254348610.140699968497-0.05250983805250.47332554830.01311315274120.101835301210.0240672669346-0.1761537994310.05059228655280.224925714282-1.13382708944E-60.2854011647050.058169527033-0.04889811181030.3502095197410.01004740993110.329883900397-9.4771352375-54.250545672150.7027652939
260.3957757936960.3208457543890.3457958766690.3094248843660.2393106644880.344465174284-0.0669998760123-0.416342551409-0.259534287321-0.9271540207860.04939306134090.265487217564-0.0104267318854-0.3412404525880.003434761152270.3691323007690.03984896582310.006366914526110.316716568482-0.003004211868360.301038230758-31.0370837773-51.895141169842.0047025356
270.07677363943010.18515308712-0.05914190450030.377828708309-0.2418721417290.2395032612240.0692130444438-0.2596411687680.3213944276750.229027948587-0.00881875369788-0.0158150368313-0.0467587409392-0.0905707015351-1.84936944988E-80.3133550825880.0856351744227-0.0007184137489660.3588261257390.01436186702690.3148793834-17.6126690834-49.018913519753.1883777972
280.04429368803260.0492319649332-0.01428981392840.0332141149845-0.0130472146161-0.0165327635528-0.0943522647606-0.0945928921915-0.09046746253770.09608141032070.0580475316443-0.2708215130490.1104095340850.0826321554363-7.64240575359E-60.486505125438-0.05069925207390.003944387122260.302999156690.0601720496470.381554001079-6.65159298788-37.247453893772.2462423408
290.04432949990980.0002351018269130.05853765895590.153457223489-0.07116513571820.0903939721364-0.146853587158-0.0161635648131-0.09520615554070.307798960932-0.0773696633624-0.129112642156-0.0264734216660.1802128135988.23766208063E-60.339601630121-0.0479408730972-0.01857929068630.4006303552860.007655896425870.246579196688-11.1283474252-31.772700895276.0095515736
30-0.000564038709074-0.00761563187357-0.005623262158350.01440491426710.01506578324720.0281641829479-0.466352477829-0.198560908214-0.3776460131990.124828884396-0.1752004584550.07265876381330.2633344821250.2318987903357.19887454602E-60.3993389504110.0413418673581-0.01455814908130.4102402714850.02763900699410.58413852345212.4553024414-32.731062309365.7492419135
310.147434185265-0.0806316181662-0.03861087714120.04010682960760.06797189211340.0135876919788-0.1555401617790.0802635408301-0.1125929328050.2005147987950.15131145849-0.1871803308930.184212468020.106272940925-7.90359529366E-80.239804022789-0.0746196651756-0.02072981795680.36817533974-0.02065583524050.375006635931-2.4395519579-28.195467337364.9425810384
320.102918626859-0.0707023887050.05345657595350.0331724066987-0.03561234470660.15389309025-0.0402867424168-0.0795360029562-0.0180203053388-0.130500102144-0.06040848501460.167697848903-0.05938974573660.1028870776513.5728323492E-70.300312677373-0.114964784642-0.009181161324910.3936267215890.01587517155860.289963412635-9.59704785285-25.340829798262.685379858
330.1530310368330.0223976639222-0.1541790570180.2186044071740.101802918080.174446086321-0.2050958994530.1060530571370.2468245518070.3056223475860.01388046835110.138204589158-0.4764946664840.1716521603492.08072133599E-60.264620781577-0.0116788615619-0.002164264977770.3709779220970.0426677154590.354714505565-10.9443258194-22.309261384470.7265055166
340.2287932348830.204633960618-0.2241226394850.576968479009-0.06199937105860.2217844534220.0377513940044-0.1074753226080.08006101809720.359153246425-0.198343542786-0.07983525846670.07074699160890.001329169444341.38361927191E-70.374268298464-0.0916679293323-0.01252125373680.3620659281620.008806175909630.307833757952-9.51120203431-29.813804364571.1582082286
350.0832445342511-0.103104476657-0.0432642134260.09306670504180.06038538538240.0621412553439-0.152023094028-0.0521294762114-0.4793995256350.4353437494840.1310978581760.04943591581720.06690712813580.139527006218-1.96883903972E-70.23531910063-0.0469589812912-0.003829716252320.3281357351560.05625270418590.416571024741-0.0481925216974-32.465566199260.3209666047
360.0420480444437-0.05562665215430.05363585768060.0983662667099-0.07330546666390.05493494530440.0311551861503-0.438965929192-0.2308065786510.06561678485530.07550680828210.628179411610.435351758023-0.12553132115-8.86754210088E-70.373686887822-0.06710718431740.05495907691510.462927330780.0919397289480.463710349428-22.0952531702-38.568321532773.8360444406
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 138 )
2X-RAY DIFFRACTION2chain 'A' and (resid 139 through 232 )
3X-RAY DIFFRACTION3chain 'A' and (resid 233 through 275 )
4X-RAY DIFFRACTION4chain 'A' and (resid 276 through 416 )
5X-RAY DIFFRACTION5chain 'A' and (resid 417 through 485 )
6X-RAY DIFFRACTION6chain 'A' and (resid 486 through 546 )
7X-RAY DIFFRACTION7chain 'A' and (resid 547 through 599 )
8X-RAY DIFFRACTION8chain 'A' and (resid 600 through 648 )
9X-RAY DIFFRACTION9chain 'A' and (resid 649 through 720 )
10X-RAY DIFFRACTION10chain 'A' and (resid 721 through 799 )
11X-RAY DIFFRACTION11chain 'A' and (resid 800 through 866 )
12X-RAY DIFFRACTION12chain 'B' and (resid 1 through 7 )
13X-RAY DIFFRACTION13chain 'B' and (resid 8 through 17 )
14X-RAY DIFFRACTION14chain 'B' and (resid 18 through 25 )
15X-RAY DIFFRACTION15chain 'B' and (resid 26 through 33 )
16X-RAY DIFFRACTION16chain 'B' and (resid 34 through 59 )
17X-RAY DIFFRACTION17chain 'B' and (resid 60 through 82 )
18X-RAY DIFFRACTION18chain 'B' and (resid 83 through 97 )
19X-RAY DIFFRACTION19chain 'B' and (resid 98 through 107 )
20X-RAY DIFFRACTION20chain 'B' and (resid 108 through 114 )
21X-RAY DIFFRACTION21chain 'C' and (resid 1 through 17 )
22X-RAY DIFFRACTION22chain 'C' and (resid 18 through 32 )
23X-RAY DIFFRACTION23chain 'C' and (resid 33 through 51 )
24X-RAY DIFFRACTION24chain 'C' and (resid 52 through 82 )
25X-RAY DIFFRACTION25chain 'C' and (resid 83 through 98 )
26X-RAY DIFFRACTION26chain 'C' and (resid 99 through 108 )
27X-RAY DIFFRACTION27chain 'C' and (resid 109 through 123 )
28X-RAY DIFFRACTION28chain 'D' and (resid 3 through 12 )
29X-RAY DIFFRACTION29chain 'D' and (resid 13 through 24 )
30X-RAY DIFFRACTION30chain 'D' and (resid 25 through 34 )
31X-RAY DIFFRACTION31chain 'D' and (resid 35 through 45 )
32X-RAY DIFFRACTION32chain 'D' and (resid 46 through 63 )
33X-RAY DIFFRACTION33chain 'D' and (resid 64 through 76 )
34X-RAY DIFFRACTION34chain 'D' and (resid 77 through 101 )
35X-RAY DIFFRACTION35chain 'D' and (resid 102 through 110 )
36X-RAY DIFFRACTION36chain 'D' and (resid 111 through 120 )

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