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- PDB-8day: Crystal Structure of DMATS1 prenyltransferase in complex with L-T... -

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Basic information

Entry
Database: PDB / ID: 8day
TitleCrystal Structure of DMATS1 prenyltransferase in complex with L-Tyr and DMSPP
ComponentsDimethylallyltryptophan synthase 1
KeywordsTRANSFERASE / prenyltransferase / fungal protein / DMATS
Function / homology
Function and homology information


Transferases; Transferring alkyl or aryl groups, other than methyl groups / transferase activity, transferring alkyl or aryl (other than methyl) groups / alkaloid metabolic process
Similarity search - Function
Aromatic prenyltransferase DMATS-type, fungi / Aromatic prenyltransferase, DMATS-type / Tryptophan dimethylallyltransferase / Aromatic prenyltransferase
Similarity search - Domain/homology
DIMETHYLALLYL S-THIOLODIPHOSPHATE / TYROSINE / Dimethylallyltryptophan synthase 1
Similarity search - Component
Biological speciesFusarium fujikuroi (fungus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.55 Å
AuthorsEaton, S.A. / Ronnebaum, T.A. / Roose, B.W. / Christianson, D.W.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM56838 United States
CitationJournal: Biochemistry / Year: 2022
Title: Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi .
Authors: Eaton, S.A. / Ronnebaum, T.A. / Roose, B.W. / Christianson, D.W.
History
DepositionJun 14, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 28, 2022Provider: repository / Type: Initial release
Revision 1.1Oct 5, 2022Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.title / _citation_author.identifier_ORCID
Revision 1.2Apr 3, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Dimethylallyltryptophan synthase 1
B: Dimethylallyltryptophan synthase 1
C: Dimethylallyltryptophan synthase 1
D: Dimethylallyltryptophan synthase 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)189,8096
Polymers189,3654
Non-polymers4432
Water93752
1
A: Dimethylallyltryptophan synthase 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)47,7853
Polymers47,3411
Non-polymers4432
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Dimethylallyltryptophan synthase 1


Theoretical massNumber of molelcules
Total (without water)47,3411
Polymers47,3411
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Dimethylallyltryptophan synthase 1


Theoretical massNumber of molelcules
Total (without water)47,3411
Polymers47,3411
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: Dimethylallyltryptophan synthase 1


Theoretical massNumber of molelcules
Total (without water)47,3411
Polymers47,3411
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)90.066, 107.717, 180.722
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
41

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11SERSERPROPRO(chain 'A' and (resid 11 through 31 or (resid 32...AA11 - 7111 - 71
12SERSERLEULEU(chain 'A' and (resid 11 through 31 or (resid 32...AA87 - 11487 - 114
13ASNASNSERSER(chain 'A' and (resid 11 through 31 or (resid 32...AA123 - 158123 - 158
14SERSERARGARG(chain 'A' and (resid 11 through 31 or (resid 32...AA171 - 292171 - 292
15SERSERGLNGLN(chain 'A' and (resid 11 through 31 or (resid 32...AA314 - 408314 - 408
21SERSERPROPRO(chain 'B' and (resid 11 through 24 or (resid 25...BB11 - 7111 - 71
22SERSERLEULEU(chain 'B' and (resid 11 through 24 or (resid 25...BB87 - 11487 - 114
23ASNASNSERSER(chain 'B' and (resid 11 through 24 or (resid 25...BB123 - 158123 - 158
24SERSERARGARG(chain 'B' and (resid 11 through 24 or (resid 25...BB171 - 292171 - 292
25SERSERGLNGLN(chain 'B' and (resid 11 through 24 or (resid 25...BB314 - 408314 - 408
31SERSERPROPRO(chain 'C' and (resid 11 through 71 or resid 87...CC11 - 7111 - 71
32SERSERLEULEU(chain 'C' and (resid 11 through 71 or resid 87...CC87 - 11487 - 114
33ASNASNSERSER(chain 'C' and (resid 11 through 71 or resid 87...CC123 - 158123 - 158
34SERSERARGARG(chain 'C' and (resid 11 through 71 or resid 87...CC171 - 292171 - 292
35SERSERGLNGLN(chain 'C' and (resid 11 through 71 or resid 87...CC314 - 408314 - 408
41SERSERPROPRO(chain 'D' and (resid 11 through 158 or (resid 171...DD11 - 7111 - 71
42SERSERLEULEU(chain 'D' and (resid 11 through 158 or (resid 171...DD87 - 11487 - 114
43ASNASNSERSER(chain 'D' and (resid 11 through 158 or (resid 171...DD123 - 158123 - 158
44SERSERARGARG(chain 'D' and (resid 11 through 158 or (resid 171...DD171 - 292171 - 292
45SERSERGLNGLN(chain 'D' and (resid 11 through 158 or (resid 171...DD314 - 408314 - 408

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Components

#1: Protein
Dimethylallyltryptophan synthase 1 / DMATS 1 / DMATS1 biosynthesis cluster protein DMATS1


Mass: 47341.348 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Fusarium fujikuroi (fungus) / Gene: DMATS1 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: S0EH60, Transferases; Transferring alkyl or aryl groups, other than methyl groups
#2: Chemical ChemComp-TYR / TYROSINE


Type: L-peptide linking / Mass: 181.189 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: C9H11NO3 / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical ChemComp-DST / DIMETHYLALLYL S-THIOLODIPHOSPHATE / DMASPP / DMAPP / DMADP / Dimethylallyl pyrophosphate / dimethylallyl diphosphate / isoprenyl pyrophosphate


Mass: 262.158 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C5H12O6P2S / Feature type: SUBJECT OF INVESTIGATION
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 52 / 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: 2.27 Å3/Da / Density % sol: 46 %
Crystal growTemperature: 294 K / Method: vapor diffusion, hanging drop / pH: 8.9
Details: 7.5 mg/mL protein, 0.1 M Tris-HCl (pH 8.9), 0.6 M NaCl, 23% (v/v) PEG 3,350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.979 Å
DetectorType: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Dec 18, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979 Å / Relative weight: 1
ReflectionResolution: 2.55→107.7 Å / Num. obs: 57998 / % possible obs: 99.8 % / Redundancy: 6.6 % / Biso Wilson estimate: 66.58 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.086 / Rpim(I) all: 0.036 / Net I/σ(I): 13.2
Reflection shellResolution: 2.55→2.62 Å / Rmerge(I) obs: 1.339 / Mean I/σ(I) obs: 1.4 / Num. unique obs: 4450 / CC1/2: 0.565 / Rpim(I) all: 0.597 / % possible all: 100

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Processing

Software
NameVersionClassification
iMOSFLMdata reduction
Aimlessdata scaling
PHASERphasing
PHENIX1.14_3260refinement
Cootmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: Alphafold

Resolution: 2.55→92.53 Å / SU ML: 0.3698 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 27.1384 / Stereochemistry target values: CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2506 2000 3.44 %
Rwork0.215 106186 -
obs0.2162 57904 99.32 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 80.27 Å2
Refinement stepCycle: LAST / Resolution: 2.55→92.53 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11531 0 27 52 11610
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.004211906
X-RAY DIFFRACTIONf_angle_d0.780216281
X-RAY DIFFRACTIONf_chiral_restr0.05031767
X-RAY DIFFRACTIONf_plane_restr0.00542092
X-RAY DIFFRACTIONf_dihedral_angle_d20.23794163
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.55-2.580.38031400.34273930X-RAY DIFFRACTION99.78
2.58-2.620.34551430.33953951X-RAY DIFFRACTION99.93
2.62-2.650.37141390.33063967X-RAY DIFFRACTION99.2
2.65-2.690.35061390.33823931X-RAY DIFFRACTION98.71
2.69-2.730.35611350.33683908X-RAY DIFFRACTION99.65
2.73-2.770.34851400.3223913X-RAY DIFFRACTION99.44
2.77-2.820.30951430.29743969X-RAY DIFFRACTION99.81
2.82-2.870.31861390.28593952X-RAY DIFFRACTION99.98
2.87-2.920.34631430.28074016X-RAY DIFFRACTION99.95
2.92-2.980.35141400.27843917X-RAY DIFFRACTION99.98
2.98-3.040.25161380.26783944X-RAY DIFFRACTION99.98
3.04-3.10.28231400.25963983X-RAY DIFFRACTION99.81
3.1-3.170.25811360.2463952X-RAY DIFFRACTION99.83
3.17-3.250.27551450.24713926X-RAY DIFFRACTION99.66
3.25-3.340.25841410.23483993X-RAY DIFFRACTION99.66
3.34-3.440.27581370.22933878X-RAY DIFFRACTION99.26
3.44-3.550.28061420.21843953X-RAY DIFFRACTION99.27
3.55-3.680.23171390.21913885X-RAY DIFFRACTION98.55
3.68-3.820.26921450.20893945X-RAY DIFFRACTION99.46
3.82-40.26361340.23884X-RAY DIFFRACTION98.02
4-4.210.21621380.1863895X-RAY DIFFRACTION98.41
4.21-4.470.18931400.15993935X-RAY DIFFRACTION98.91
4.47-4.820.19871360.16153908X-RAY DIFFRACTION99.17
4.82-5.30.23581410.17393951X-RAY DIFFRACTION99.15
5.3-6.070.26961400.20843915X-RAY DIFFRACTION99.27
6.07-7.650.2611430.22183911X-RAY DIFFRACTION99
7.65-92.530.1951460.18843874X-RAY DIFFRACTION97.83
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)
13.186157136411.56150475891-0.2894279706086.392822981671.132263123511.775833340740.05972215250560.06340680958870.0932500463959-0.2882681775370.0782900468158-0.27462408972-0.1171909274690.083652758385-0.1710956946650.2817849349210.009068237784080.004922899623970.430599387321-0.01742129671450.305783024665-23.111482075-54.5693697393-73.8554489192
23.64243261990.662074155762-1.03345132654.0066823639-0.2717848364562.81211065153-0.22755857508-0.0426169451519-0.6459698682960.2375616102740.119845491575-0.4539903639110.4774586234670.1099586929010.1274287893540.4024736139440.0585877784580.02266866912330.464138033729-0.02110686241430.569537542528-11.272905897-74.4393081194-71.6167053237
33.077794232390.152480631908-0.5389974681193.21122874536-0.3489228812962.4254722109-0.2519939940160.0761400281839-0.5393064851250.03938969657620.0265341626474-0.05192588523560.456916187188-0.3532098627940.2101547825970.416686730815-0.1134036452010.100477296030.57556846788-0.1076857206310.456409794827-33.5418754649-75.4820529374-71.3306013455
41.27399245120.374655964198-1.198739374146.185071948762.877862906853.640005696440.160701970957-0.31418503698-0.2994628328840.5925452099480.0236383263023-0.2918009590610.632210988958-0.153714436174-0.199769104490.365427335453-0.0277220166911-0.005511294254030.4214108038180.09724001995180.501597916245-26.1150820994-24.5390540581-12.4404202916
55.73377733919-2.497168565942.151726594678.48221475542-0.9018413074576.38215838823-0.03106775252450.0338793487630.01597215261880.309694130124-0.0206612425964-0.5225799473670.2010838066820.07237678342850.001392363396650.254632692862-0.07754658306880.04869732491340.3628787102350.109771482610.430204604087-22.897129747-16.8191410845-15.972792781
61.696714634241.78708419983-0.9884301472364.148814063580.3606009024581.80877955311-0.0445871560502-0.3968495325790.2669284389040.312800502672-0.0545631317973-0.333625592897-0.5554276863510.07245773491850.05194422720010.4187549763950.1044995767960.08146766256480.51811632962-0.01354678104060.532554641575-17.4174895769-8.88155839844-12.2537952862
72.52987647587-0.857694118435-2.244900543975.6938247555-0.6454016975052.25540284438-0.134225240348-0.08559335478720.0999905031759-0.358115246274-0.0301758328315-0.549211047733-0.2406913520040.2766178257180.1503276475420.420830637023-0.01772595944340.03364369559210.6263251243540.05823261325290.619894065828-5.30888670097-8.65869666132-17.1109965155
82.699955805060.8255544510822.63444356259.464365412373.627574720158.55410216596-0.146675554842-0.02168109838190.4964971413990.1353264858040.160622895289-0.17777915115-0.5519829198-0.000503230286758-0.09088991939150.35339431966-0.01533945326320.1024455729350.5430057116170.04586002462830.590445140342-11.6875616045-2.01148293493-13.4585190054
95.23162899987-1.153104062670.64628921248.53688185165-2.449471093525.5476371673-0.2025663162340.2237583737981.16997241401-0.1546316766-0.275974724837-1.22273233656-1.184590596590.3768916563270.3994378817770.680234962205-0.0672285121635-0.08228191343870.5068062664060.09483276142640.938536158826-10.835964048712.7534179118-18.5127378271
107.15215007891-2.682804719930.322589221866.50715875450.9712158419792.13763019267-0.195733029142-0.1724489635850.882530823371-0.4546275392830.03292373407130.13336537054-0.784199216335-0.2219203588240.1653897200920.6675363709440.0328279817928-0.04198795084920.4867685142490.1767117527390.72251103954-21.261283715710.7175367221-21.3076511386
116.501813818611.077451843241.776865010616.02394690016-0.6737188965523.02346671906-0.02797796943210.2760253739290.8155352423-0.438945485672-0.09383326001931.11329188808-0.669247522878-0.08610313873350.1825179161160.7687091644440.0572684184426-0.09572208659770.466288333460.0908779238570.895881916833-27.46339776049.8260004111-23.324285131
125.633318062025.24080671048-0.5500358297236.93062295975-0.6804889945170.479929906188-0.387078671674-0.08087343620.8722267706140.1072170687020.3362881775370.809650731033-0.240077820239-0.2488151784630.05368564156340.5040535272670.190192440201-0.003807049528220.6003670953940.08482376201140.673281145351-36.30048556722.80969404642-17.3032488422
138.764564398972.66887323098-1.78262247718.135323202561.08319341692.72404708419-0.0787614180051-0.3940208288510.1688262100640.3010557726110.2903251650930.249677232682-0.106729752745-0.540524378898-0.2039003752470.3000408990370.164564330529-0.01799087612130.5342054457460.03811180794590.501946189128-34.6135516371-4.57736848324-16.6298070709
142.629303519631.86371012235-1.104256080319.67638658733.528275159762.6642977969-0.315156244102-0.0677984935579-0.235056401011-0.2489965283380.350379327484-1.45769218020.2025297862420.496612603749-7.44410113738E-60.344418163631-0.007153170749320.0671279748310.531079763646-0.03428411799740.601214374204-13.3915987585-35.514788953-26.7753052513
152.193122906672.425848900560.9052516545788.94371904065-0.2104372109266.854414208670.2258494768190.123602543308-0.162547445908-0.0634557563330.0499689438427-0.1145585313960.9184967464130.138648476808-0.2277968476480.4926424652440.0316900168378-0.007655972841040.491165574967-0.1207519672220.431739873843-17.7089989175-40.9711023073-23.7689000852
162.63474181631-0.196095456137-1.181348283695.73392969482-0.9052942341895.05993386165-0.134423694783-0.537462573643-0.2501896674390.4343168273720.0920759724238-0.2672278651610.7486642471490.1119219403120.06560058567190.6226413762170.0242998255036-0.03919320724860.501674112746-0.03658467275260.457361700351-22.8346934079-52.0348004571-18.0969640485
178.75906749069-5.467365360472.205891977334.00849508217-2.188130811192.83618687045-0.460399414186-0.353055441127-0.853947387480.7902674668580.4866819425710.4782434998660.626366758121-0.138561830306-0.09602389499910.827224580630.0377369866051-0.04094142218240.588718360298-0.08494033119390.488662439073-22.8181737937-59.1347282074-17.7976445098
185.98646995121.06478803653-0.3977644874494.748296532471.621160131057.02692646944-0.0513921172782-0.150248812832-0.796894723191-0.0967625368196-0.04702578428260.1245849589381.91213623815-0.4048698309150.1196195397751.38330275597-0.117494213599-0.1687722871510.5864055627860.08906499349580.636503902048-31.0118340506-71.6800589421-21.3023262721
191.648071473880.3405970070750.1145291716312.05726601740.2413014041344.52145308611-0.06703935530630.509967925448-0.620489309537-0.2949959361730.0697613477709-0.1935630524071.73134334543-0.0764963688761-0.01315479920121.04966321762-0.0506482958537-0.07174436876290.66969473756-0.1117093176660.665634674019-31.4442777713-65.868701785-36.2913676411
203.705435979332.650197905210.3999316102975.56084361738-1.144584024593.93041684896-0.1753129348880.474283699394-0.448366265454-0.7706757608230.261937422726-0.5486333897480.8394098693570.0432775711242-0.07952170651670.9504952543440.07111864009240.01814924127740.639816712297-0.1556657980020.525447726272-26.0557105068-61.1556842012-39.2920316954
215.628051378391.674156969111.730029784928.385719640661.316091151626.075956962280.02147242035820.867597462263-0.255244093247-0.5789261413960.277527984086-0.7795163151040.0107713805250.631360406842-0.2914261232160.6838390860870.03769601349110.07910440701820.607614849813-0.1021002443740.398396508726-20.5916509753-51.2085820975-40.1785105734
223.24451187797-0.5681970597280.3047456083587.935917775862.414863719266.896709246760.1610790008670.1357275695070.121346244193-0.1535089679610.3099636833-0.599753964695-0.7554020404430.757187799387-0.4396428307990.52480154349-0.0925695158420.02031164382290.524796181815-0.1004196263470.514716459058-15.5700347756-32.4756444535-60.1983250765
237.892031744950.412472068470.3641147257166.00675276555-1.44347663115.13199694877-0.1587198959061.158907547411.1271985714-1.155330782980.314189934304-0.779738507169-1.035328596791.68605373926-0.04583098158661.33460000796-0.2694851944250.4284973944740.989732198561-0.04866429553380.821166697046-11.3926916722-22.5174431158-74.6902304873
245.11186146817-1.426700612340.08630270059335.3782306222-3.611022532593.33719233930.264999788361.011391466780.533359727491-1.04406650704-0.4478207039610.301384436531-1.55895555449-0.492662677561-0.04610544823611.975083106450.01312372367060.158376485850.7104796927270.05607538739120.591352701867-19.4977134608-15.7052642171-74.8730124971
251.15723554159-1.20576239171-0.6126919194211.77511858928-0.8789666424592.156847812310.431305823612-0.03018144516190.555248665017-0.538755667743-0.23221684419-0.094973638241-2.16161110426-0.00523526044257-0.1883170630042.08810436822-0.04327701848080.2174150850850.761106972659-0.01920202274630.856987811714-24.0161864313-4.76228074418-60.3957296358
269.07481434959-1.393838907975.027059049835.96948419261.679692729667.30461569227-0.877467629771-0.3620605791510.772478281004-1.52879248090.193844469842-0.182808654164-2.42435100287-0.3977491825960.5713641563041.864622482880.1911434704610.1513359538530.642819447924-0.05622626674280.670981643106-25.3865389218-4.81580531939-54.8443012495
274.78480181491-1.7080972169-0.4034385908578.436738985773.251411218396.95627070363-0.0400462155042-0.5922272211550.4490237600650.5428339504540.393560297808-0.514581833896-0.7714968207190.487582882419-0.3607892636051.00681705277-0.07944937045030.05254169871620.599527481275-0.111854184750.505565394194-19.7764807529-18.8727396833-45.6715615426
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 10 through 108 )
2X-RAY DIFFRACTION2chain 'A' and (resid 109 through 262 )
3X-RAY DIFFRACTION3chain 'A' and (resid 263 through 414 )
4X-RAY DIFFRACTION4chain 'B' and (resid 10 through 44 )
5X-RAY DIFFRACTION5chain 'B' and (resid 45 through 95 )
6X-RAY DIFFRACTION6chain 'B' and (resid 96 through 124 )
7X-RAY DIFFRACTION7chain 'B' and (resid 125 through 154 )
8X-RAY DIFFRACTION8chain 'B' and (resid 155 through 199 )
9X-RAY DIFFRACTION9chain 'B' and (resid 200 through 243 )
10X-RAY DIFFRACTION10chain 'B' and (resid 244 through 279 )
11X-RAY DIFFRACTION11chain 'B' and (resid 280 through 329 )
12X-RAY DIFFRACTION12chain 'B' and (resid 330 through 357 )
13X-RAY DIFFRACTION13chain 'B' and (resid 358 through 411 )
14X-RAY DIFFRACTION14chain 'C' and (resid 9 through 44 )
15X-RAY DIFFRACTION15chain 'C' and (resid 45 through 88 )
16X-RAY DIFFRACTION16chain 'C' and (resid 89 through 153 )
17X-RAY DIFFRACTION17chain 'C' and (resid 154 through 199 )
18X-RAY DIFFRACTION18chain 'C' and (resid 200 through 243 )
19X-RAY DIFFRACTION19chain 'C' and (resid 244 through 294 )
20X-RAY DIFFRACTION20chain 'C' and (resid 295 through 357 )
21X-RAY DIFFRACTION21chain 'C' and (resid 358 through 412 )
22X-RAY DIFFRACTION22chain 'D' and (resid 11 through 108 )
23X-RAY DIFFRACTION23chain 'D' and (resid 109 through 137 )
24X-RAY DIFFRACTION24chain 'D' and (resid 138 through 179 )
25X-RAY DIFFRACTION25chain 'D' and (resid 180 through 294 )
26X-RAY DIFFRACTION26chain 'D' and (resid 295 through 329 )
27X-RAY DIFFRACTION27chain 'D' and (resid 330 through 408 )

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