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- PDB-7xyk: Structure of WSSV thymidylate synthase in complex with dUMP and r... -

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Basic information

Entry
Database: PDB / ID: 7xyk
TitleStructure of WSSV thymidylate synthase in complex with dUMP and raltitrexed
ComponentsThymidylate synthase
KeywordsTRANSFERASE / White Spot Syndrome Virus / dTTP / raltitrexed
Function / homology
Function and homology information


thymidylate synthase / thymidylate synthase activity / dTMP biosynthetic process / dihydrofolate reductase activity / methylation / cytosol
Similarity search - Function
Thymidylate synthase/dCMP hydroxymethylase / Thymidylate synthase, active site / Thymidylate synthase active site. / Thymidylate synthase / Thymidylate synthase/dCMP hydroxymethylase domain / Thymidylate synthase/dCMP hydroxymethylase superfamily / Thymidylate synthase
Similarity search - Domain/homology
TOMUDEX / 2'-DEOXYURIDINE 5'-MONOPHOSPHATE / thymidylate synthase
Similarity search - Component
Biological speciesShrimp white spot syndrome virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.433 Å
AuthorsMa, Q. / Liu, C. / Zang, K.
Funding support China, 1items
OrganizationGrant numberCountry
National Natural Science Foundation of China (NSFC) China
CitationJournal: To Be Published
Title: Structure of WSSV thymidylate synthase in complex with dUMP and raltitrexed
Authors: Ma, Q. / Liu, C. / Zang, K.
History
DepositionJun 1, 2022Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Jun 7, 2023Provider: repository / Type: Initial release
Revision 1.1Nov 29, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Thymidylate synthase
B: Thymidylate synthase
C: Thymidylate synthase
D: Thymidylate synthase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)136,83714
Polymers133,5784
Non-polymers3,25910
Water15,727873
1
A: Thymidylate synthase
B: Thymidylate synthase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)68,4187
Polymers66,7892
Non-polymers1,6295
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7490 Å2
ΔGint-39 kcal/mol
Surface area21940 Å2
MethodPISA
2
C: Thymidylate synthase
D: Thymidylate synthase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)68,4187
Polymers66,7892
Non-polymers1,6295
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7580 Å2
ΔGint-44 kcal/mol
Surface area21650 Å2
MethodPISA
Unit cell
Length a, b, c (Å)51.164, 90.113, 123.996
Angle α, β, γ (deg.)90.000, 92.980, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and ((resid 1 and (name N or name...
21(chain B and ((resid 1 and (name N or name...
31(chain C and ((resid 1 and (name N or name...
41(chain D and ((resid 1 and (name N or name...

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
11METMETMETMET(chain A and ((resid 1 and (name N or name...AA14
12ALAALAVALVAL(chain A and ((resid 1 and (name N or name...AA0 - 2893 - 292
13ALAALAVALVAL(chain A and ((resid 1 and (name N or name...AA0 - 2893 - 292
14ALAALAVALVAL(chain A and ((resid 1 and (name N or name...AA0 - 2893 - 292
15ALAALAVALVAL(chain A and ((resid 1 and (name N or name...AA0 - 2893 - 292
16ALAALAVALVAL(chain A and ((resid 1 and (name N or name...AA0 - 2893 - 292
17ALAALAVALVAL(chain A and ((resid 1 and (name N or name...AA0 - 2893 - 292
18ALAALAVALVAL(chain A and ((resid 1 and (name N or name...AA0 - 2893 - 292
19ALAALAVALVAL(chain A and ((resid 1 and (name N or name...AA0 - 2893 - 292
110ALAALAVALVAL(chain A and ((resid 1 and (name N or name...AA0 - 2893 - 292
111ALAALAVALVAL(chain A and ((resid 1 and (name N or name...AA0 - 2893 - 292
112ALAALAVALVAL(chain A and ((resid 1 and (name N or name...AA0 - 2893 - 292
113ALAALAVALVAL(chain A and ((resid 1 and (name N or name...AA0 - 2893 - 292
114ALAALAVALVAL(chain A and ((resid 1 and (name N or name...AA0 - 2893 - 292
115ALAALAVALVAL(chain A and ((resid 1 and (name N or name...AA0 - 2893 - 292
21METMETMETMET(chain B and ((resid 1 and (name N or name...BB14
22ALAALAVALVAL(chain B and ((resid 1 and (name N or name...BB0 - 2893 - 292
23ALAALAVALVAL(chain B and ((resid 1 and (name N or name...BB0 - 2893 - 292
24ALAALAVALVAL(chain B and ((resid 1 and (name N or name...BB0 - 2893 - 292
25ALAALAVALVAL(chain B and ((resid 1 and (name N or name...BB0 - 2893 - 292
26ALAALAVALVAL(chain B and ((resid 1 and (name N or name...BB0 - 2893 - 292
27ALAALAVALVAL(chain B and ((resid 1 and (name N or name...BB0 - 2893 - 292
28ALAALAVALVAL(chain B and ((resid 1 and (name N or name...BB0 - 2893 - 292
29ALAALAVALVAL(chain B and ((resid 1 and (name N or name...BB0 - 2893 - 292
210ALAALAVALVAL(chain B and ((resid 1 and (name N or name...BB0 - 2893 - 292
211ALAALAVALVAL(chain B and ((resid 1 and (name N or name...BB0 - 2893 - 292
212ALAALAVALVAL(chain B and ((resid 1 and (name N or name...BB0 - 2893 - 292
213ALAALAVALVAL(chain B and ((resid 1 and (name N or name...BB0 - 2893 - 292
214ALAALAVALVAL(chain B and ((resid 1 and (name N or name...BB0 - 2893 - 292
215ALAALAVALVAL(chain B and ((resid 1 and (name N or name...BB0 - 2893 - 292
31METMETMETMET(chain C and ((resid 1 and (name N or name...CC14
32METMETALAALA(chain C and ((resid 1 and (name N or name...CC1 - 2884 - 291
33METMETALAALA(chain C and ((resid 1 and (name N or name...CC1 - 2884 - 291
34METMETALAALA(chain C and ((resid 1 and (name N or name...CC1 - 2884 - 291
35METMETALAALA(chain C and ((resid 1 and (name N or name...CC1 - 2884 - 291
36METMETALAALA(chain C and ((resid 1 and (name N or name...CC1 - 2884 - 291
37METMETALAALA(chain C and ((resid 1 and (name N or name...CC1 - 2884 - 291
38METMETALAALA(chain C and ((resid 1 and (name N or name...CC1 - 2884 - 291
39METMETALAALA(chain C and ((resid 1 and (name N or name...CC1 - 2884 - 291
310METMETALAALA(chain C and ((resid 1 and (name N or name...CC1 - 2884 - 291
311METMETALAALA(chain C and ((resid 1 and (name N or name...CC1 - 2884 - 291
312METMETALAALA(chain C and ((resid 1 and (name N or name...CC1 - 2884 - 291
313METMETALAALA(chain C and ((resid 1 and (name N or name...CC1 - 2884 - 291
314METMETALAALA(chain C and ((resid 1 and (name N or name...CC1 - 2884 - 291
315METMETALAALA(chain C and ((resid 1 and (name N or name...CC1 - 2884 - 291
41METMETMETMET(chain D and ((resid 1 and (name N or name...DD14
42METMETALAALA(chain D and ((resid 1 and (name N or name...DD1 - 2884 - 291
43METMETALAALA(chain D and ((resid 1 and (name N or name...DD1 - 2884 - 291
44METMETALAALA(chain D and ((resid 1 and (name N or name...DD1 - 2884 - 291
45METMETALAALA(chain D and ((resid 1 and (name N or name...DD1 - 2884 - 291
46METMETALAALA(chain D and ((resid 1 and (name N or name...DD1 - 2884 - 291
47METMETALAALA(chain D and ((resid 1 and (name N or name...DD1 - 2884 - 291
48METMETALAALA(chain D and ((resid 1 and (name N or name...DD1 - 2884 - 291
49METMETALAALA(chain D and ((resid 1 and (name N or name...DD1 - 2884 - 291
410METMETALAALA(chain D and ((resid 1 and (name N or name...DD1 - 2884 - 291
411METMETALAALA(chain D and ((resid 1 and (name N or name...DD1 - 2884 - 291
412METMETALAALA(chain D and ((resid 1 and (name N or name...DD1 - 2884 - 291
413METMETALAALA(chain D and ((resid 1 and (name N or name...DD1 - 2884 - 291
414METMETALAALA(chain D and ((resid 1 and (name N or name...DD1 - 2884 - 291
415METMETALAALA(chain D and ((resid 1 and (name N or name...DD1 - 2884 - 291

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Components

#1: Protein
Thymidylate synthase /


Mass: 33394.453 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Shrimp white spot syndrome virus (isolate Tongan)
Strain: isolate Shrimp/China/Tongan/1996 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q77J90, thymidylate synthase
#2: Chemical
ChemComp-UMP / 2'-DEOXYURIDINE 5'-MONOPHOSPHATE / DUMP / Deoxyuridine monophosphate


Mass: 308.182 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C9H13N2O8P / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical
ChemComp-D16 / TOMUDEX / ZD1694 / Raltitrexed / Raltitrexed


Mass: 458.488 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C21H22N4O6S / Feature type: SUBJECT OF INVESTIGATION / Comment: chemotherapy, inhibitor*YM
#4: Chemical ChemComp-SO4 / SULFATE ION / Sulfate


Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO4
#5: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 873 / 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: 2.14 Å3/Da / Density % sol: 42.44 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: The protein in complex with dUMP and raltitrexed was crystallized in drops containing 1 ul protein solution (10 mg/ml protein + 5 mM dUMP + 5 mM raltitrexed incubated at 4 degrees for 4 h) ...Details: The protein in complex with dUMP and raltitrexed was crystallized in drops containing 1 ul protein solution (10 mg/ml protein + 5 mM dUMP + 5 mM raltitrexed incubated at 4 degrees for 4 h) and 1 ul reservoir solution (100 mM Bis-Tris pH 6.5, 25% (w/v) PEG 3350, 200 mM (NH4)2SO4), and the cryo-buffer was 100 mM Bis-Tris pH 6.5, 35% (w/v) PEG 3350, 200 mM (NH4)2SO4.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL19U1 / Wavelength: 0.97853 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 1, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97853 Å / Relative weight: 1
ReflectionResolution: 1.433→72.862 Å / Num. obs: 203509 / % possible obs: 98.9 % / Redundancy: 6.8 % / CC1/2: 0.999 / Rpim(I) all: 0.02 / Rrim(I) all: 0.053 / Rsym value: 0.049 / Net I/σ(I): 17.5
Reflection shellResolution: 1.433→1.437 Å / Redundancy: 7 % / Mean I/σ(I) obs: 2 / Num. unique obs: 2000 / CC1/2: 0.803 / Rpim(I) all: 0.332 / Rrim(I) all: 0.891 / Rsym value: 0.826 / % possible all: 98.5

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Processing

Software
NameVersionClassification
PHENIX1.10.1_2155refinement
PDB_EXTRACT3.27data extraction
XDSJan 26, 2018, built on 20180409data reduction
Aimlessversion 0.5.29data scaling
PHASER2.7.17phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6K7R

6k7r


Resolution: 1.433→51.1 Å / SU ML: 0.14 / Cross valid method: THROUGHOUT / σ(F): 1.36 / Phase error: 16.87 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.1696 10183 5.01 %
Rwork0.1476 193273 -
obs0.1487 203456 98.86 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 113.89 Å2 / Biso mean: 27.0344 Å2 / Biso min: 11.18 Å2
Refinement stepCycle: final / Resolution: 1.433→51.1 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9294 0 218 873 10385
Biso mean--27.27 32.74 -
Num. residues----1156
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0099820
X-RAY DIFFRACTIONf_angle_d1.12913292
X-RAY DIFFRACTIONf_chiral_restr0.0761401
X-RAY DIFFRACTIONf_plane_restr0.0071792
X-RAY DIFFRACTIONf_dihedral_angle_d20.1933796
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A6762X-RAY DIFFRACTION6.32TORSIONAL
12B6762X-RAY DIFFRACTION6.32TORSIONAL
13C6762X-RAY DIFFRACTION6.32TORSIONAL
14D6762X-RAY DIFFRACTION6.32TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
1.433-1.44880.25063190.2347644299
1.4488-1.46580.24543390.227639999
1.4658-1.48370.22673200.2156639899
1.4837-1.50250.24123190.2055651499
1.5025-1.52230.21193660.1956634899
1.5223-1.54310.19112890.1856646799
1.5431-1.56520.20623520.1804638699
1.5652-1.58850.19173240.1728645298
1.5885-1.61340.18853240.1673644199
1.6134-1.63980.20773460.1668644399
1.6398-1.66810.19753520.1617646199
1.6681-1.69840.17993580.1584643999
1.6984-1.73110.20013440.1619642799
1.7311-1.76640.17583350.1613647899
1.7664-1.80480.18053340.1572643299
1.8048-1.84680.18333380.1554647099
1.8468-1.8930.17593420.155640998
1.893-1.94420.19163020.15926457100
1.9442-2.00140.1933410.15346510100
2.0014-2.0660.17944000.1556641999
2.066-2.13980.16453670.1514643199
2.1398-2.22550.16933400.1418648199
2.2255-2.32680.1593190.1415646599
2.3268-2.44950.17023070.1366634097
2.4495-2.60290.16193340.14296528100
2.6029-2.80390.16383710.1467645799
2.8039-3.0860.17163780.1567642699
3.086-3.53250.18543260.1521628196
3.5325-4.45020.13283610.1205653999
4.4502-51.10.1473360.1256653398
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)
10.09710.0519-0.03470.18940.01490.0757-0.07570.11530.1936-0.09440.0743-0.0321-0.06730.43560.00390.1834-0.00720.01710.27220.02090.214418.811518.115233.6851
20.61430.29390.18630.0220.09830.5787-0.01130.1496-0.0356-0.05390.04-0.02520.08080.1009-00.17670.01760.02610.16960.01090.17386.717412.408933.7077
30.2470.1236-0.22440.2293-0.0140.1756-0.16550.0394-0.0922-0.08430.10320.040.139-0.0907-0.00010.2379-0.0124-0.00310.1476-0.01430.2006-4.7891-2.761233.7902
40.43010.10260.16520.38660.13310.4367-0.00790.0069-0.0216-0.0046-0.00850.02770.0212-0.1021-0.00030.13930.00430.00660.12460.00680.1763-8.36989.7645.6369
50.1533-0.04750.2263-0.03830.11370.3521-0.02580.14090.04330.0037-0.02030.00440.0302-0.0084-0.00020.15180.01140.00030.14510.02260.15910.804117.901436.7273
60.16390.11820.06760.16290.06540.3549-0.00340.11950.09-0.04810.0332-0.1086-0.0040.0928-00.16950.02510.02950.16860.0040.168612.539413.138133.8296
70.1070.08020.14490.19080.14590.1602-0.0390.0939-0.1042-0.0962-0.00130.0234-0.0743-0.0237-00.20020.00910.01650.24450.04270.2183-1.507522.057924.6506
80.10140.04580.19850.27390.15860.2326-0.04680.1559-0.0314-0.10190.0023-0.00230.09030.032-00.21120.0030.01820.26090.01970.1820.680812.427824.5018
90.1397-0.0559-0.09230.08030.00760.1246-0.080.14610.2047-0.2183-0.0142-0.0977-0.28490.37160.0020.2286-0.04130.02430.20740.03740.286616.417233.552551.1235
100.2130.15940.23060.46010.09570.72590.0011-0.040.1176-0.02810.00070.0325-0.0890.0411-0.00440.13030.00590.0050.1076-0.00930.200410.344925.898760.5282
110.30990.0502-0.18410.0564-0.05750.11330.0147-0.09660.0580.0394-0.00760.0710.0244-0.0061-00.15450.0118-0.00670.1328-0.00850.1816-3.560722.69873.1757
120.13110.11030.08270.24940.03010.1148-0.01460.00340.00730.0973-0.0244-0.01620.0997-0.1268-00.1614-0.00880.01340.1333-0.00440.1852-7.303313.443568.1914
130.1130.0819-0.12550.0748-0.01240.0683-0.06780.0442-0.05180.06050.02740.02050.1553-0.033-0.00190.21960.02410.0060.09960.00210.25.56141.449262.9995
140.24580.03270.19390.08890.07930.51730.00820.02210.03570.01650.00720.00680.04970.036900.140.01970.00470.1016-0.00220.1617.465314.281457.4319
150.1556-0.14390.30740.0886-0.10360.4227-0.02890.03870.1317-0.0756-0.0244-0.1173-0.08490.088-0.05860.15950.0052-0.00830.10230.00580.236311.652830.320756.7678
160.5784-0.10740.26520.24950.29930.60110.1753-0.14340.15240.22250.10860.28620.06250.2440.18660.13980.0114-0.01420.15770.02470.252722.257518.786867.4216
170.3941-0.15110.16450.04230.10210.32980.0327-0.2420.131-0.0058-0.0157-0.03410.0058-0.0780.00020.1762-0.0264-0.00650.2237-0.02080.226314.89724.614570.4132
180.16260.0657-0.0670.1722-0.08120.0468-0.11660.13490.18610.01230.1646-0.1127-0.0070.3360.01140.22220.029-0.01660.3593-0.02170.190739.239314.730494.6606
190.43210.09520.11660.11180.25820.7191-0.00630.07520.0265-0.01030.0301-0.0130.15680.083-00.1960.0097-0.00090.24790.00140.155726.244211.903995.4248
200.58530.00460.12470.33730.06961.5516-0.01550.0075-0.01410.0738-0.02850.0170.2973-0.2623-0.00070.2132-0.0570.01350.239-0.01350.149111.8779.0732105.1322
210.2495-0.05950.41190.1636-0.05731.1728-0.02040.12440.0726-0.00750.00590.00350.11310.00170.00280.1648-0.00260.00150.23820.00980.154323.379316.244492.6869
220.01270.02490.01290.04740.03810.011-0.04590.21730.0165-0.35980.18290.0579-0.25450.65580.00030.2353-0.04280.01290.4051-0.04150.259741.158530.9609111.7915
230.39440.2174-0.11730.35390.42341.5315-0.0118-0.05310.10220.06230.03640.02160.06770.04660.00190.16510.0162-0.00830.2133-0.00250.159525.544222.5816127.3742
240.22920.13970.06540.2012-0.06980.0938-0.0169-0.12260.08580.24070.08330.00110.6663-0.02130.15720.45950.03990.00450.22170.02680.151724.37182.2394125.1084
250.58040.04850.02710.0410.31951.2161-0.0151-0.06840.05140.08450.0460.01080.25250.15220.00970.22610.0467-0.00930.2407-0.00540.144729.119414.1496118.9156
260.18850.17840.06080.13510.12730.46340.0470.0240.0907-0.0253-0.02010.0382-0.05290.29850.00490.1894-0.0172-0.00240.2657-0.02560.194736.368828.7975117.6477
270.78030.09760.16760.28420.510.64480.0278-0.14550.17760.24290.1278-0.08010.16980.29880.07060.2810.0813-0.04880.4007-0.02840.20741.700119.749130.3282
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 0 through 17 )A0 - 17
2X-RAY DIFFRACTION2chain 'A' and (resid 18 through 67 )A18 - 67
3X-RAY DIFFRACTION3chain 'A' and (resid 68 through 96 )A68 - 96
4X-RAY DIFFRACTION4chain 'A' and (resid 97 through 179 )A97 - 179
5X-RAY DIFFRACTION5chain 'A' and (resid 180 through 216 )A180 - 216
6X-RAY DIFFRACTION6chain 'A' and (resid 217 through 245 )A217 - 245
7X-RAY DIFFRACTION7chain 'A' and (resid 246 through 262 )A246 - 262
8X-RAY DIFFRACTION8chain 'A' and (resid 263 through 289 )A263 - 289
9X-RAY DIFFRACTION9chain 'B' and (resid 0 through 17 )B0 - 17
10X-RAY DIFFRACTION10chain 'B' and (resid 18 through 67 )B18 - 67
11X-RAY DIFFRACTION11chain 'B' and (resid 68 through 96 )B68 - 96
12X-RAY DIFFRACTION12chain 'B' and (resid 97 through 126 )B97 - 126
13X-RAY DIFFRACTION13chain 'B' and (resid 127 through 145 )B127 - 145
14X-RAY DIFFRACTION14chain 'B' and (resid 146 through 216 )B146 - 216
15X-RAY DIFFRACTION15chain 'B' and (resid 217 through 245 )B217 - 245
16X-RAY DIFFRACTION16chain 'B' and (resid 246 through 262 )B246 - 262
17X-RAY DIFFRACTION17chain 'B' and (resid 263 through 289 )B263 - 289
18X-RAY DIFFRACTION18chain 'C' and (resid 1 through 17 )C1 - 17
19X-RAY DIFFRACTION19chain 'C' and (resid 18 through 67 )C18 - 67
20X-RAY DIFFRACTION20chain 'C' and (resid 68 through 179 )C68 - 179
21X-RAY DIFFRACTION21chain 'C' and (resid 180 through 288 )C180 - 288
22X-RAY DIFFRACTION22chain 'D' and (resid 1 through 17 )D1 - 17
23X-RAY DIFFRACTION23chain 'D' and (resid 18 through 126 )D18 - 126
24X-RAY DIFFRACTION24chain 'D' and (resid 127 through 145 )D127 - 145
25X-RAY DIFFRACTION25chain 'D' and (resid 146 through 216 )D146 - 216
26X-RAY DIFFRACTION26chain 'D' and (resid 217 through 245 )D217 - 245
27X-RAY DIFFRACTION27chain 'D' and (resid 246 through 288 )D246 - 288

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