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- PDB-3raf: Quinazolinedione-DNA cleavage complex of type IV topoisomerase fr... -

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Basic information

Entry
Database: PDB / ID: 3raf
TitleQuinazolinedione-DNA cleavage complex of type IV topoisomerase from S. pneumoniae
Components
  • (DNA topoisomerase 4 subunit ...) x 2
  • 5'-D(*CP*AP*TP*GP*AP*AP*T)-3'
  • 5'-D(*CP*GP*TP*GP*CP*AP*T)-3'
  • 5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*G)-3'
  • 5'-D(P*GP*AP*CP*TP*AP*TP*GP*CP*AP*CP*G)-3'
KeywordsISOMERASE/DNA/ANTIBIOTIC / PROTEIN-DNA CLEAVAGE COMPLEX / Topoisomerase IIa / Quinazolinedione PD 0305970 / ISOMERASE-DNA-ANTIBIOTIC complex
Function / homology
Function and homology information


DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) complex / DNA negative supercoiling activity / DNA topoisomerase (ATP-hydrolysing) / extrinsic component of plasma membrane / DNA topological change / chromosome segregation / chromosome / DNA binding / ATP binding / metal ion binding / cytoplasm
Similarity search - Function
DNA topoisomerase IV subunit A, Gram-positive / DNA topoisomerase 4 subunit B, Firmicutes/Mollicutes / Rossmann fold - #670 / DNA gyrase/topoisomerase IV, subunit A, C-terminal repeat / DNA gyrase/topoisomerase IV, subunit A, C-terminal / : / DNA gyrase C-terminal domain, beta-propeller / DNA topoisomerase, type IIA, subunit B / DNA gyrase B subunit, C-terminal / DNA gyrase B subunit, carboxyl terminus ...DNA topoisomerase IV subunit A, Gram-positive / DNA topoisomerase 4 subunit B, Firmicutes/Mollicutes / Rossmann fold - #670 / DNA gyrase/topoisomerase IV, subunit A, C-terminal repeat / DNA gyrase/topoisomerase IV, subunit A, C-terminal / : / DNA gyrase C-terminal domain, beta-propeller / DNA topoisomerase, type IIA, subunit B / DNA gyrase B subunit, C-terminal / DNA gyrase B subunit, carboxyl terminus / Topoisomerase (Topo) IIA-type catalytic domain profile. / DNA topoisomerase, type IIA, alpha-helical domain superfamily / DNA topoisomerase, type IIA, domain A / DNA topoisomerase, type IIA, domain A, alpha-beta / DNA gyrase/topoisomerase IV, subunit A / DNA Topoisomerase IV / DNA topoisomerase, type IIA, subunit B, domain 2 / DNA gyrase B / DNA topoisomerase, type IIA / DNA topoisomerase, type IIA, conserved site / DNA topoisomerase II signature. / TopoisomeraseII / DNA topoisomerase, type IIA, subunit B, C-terminal / Toprim domain / DNA topoisomerase, type IIA-like domain superfamily / Toprim domain profile. / TOPRIM domain / Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase / Histidine kinase-like ATPases / Histidine kinase/HSP90-like ATPase superfamily / Ribosomal protein S5 domain 2-type fold, subgroup / Ribosomal protein S5 domain 2-type fold / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
Chem-PDQ / DNA / DNA (> 10) / DNA topoisomerase 4 subunit A / DNA topoisomerase 4 subunit B
Similarity search - Component
Biological speciesStreptococcus pneumoniae (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.24 Å
AuthorsLaponogov, I. / Pan, X.-S. / Veselkov, D.A. / McAuley, K.E. / Fisher, L.M. / Sanderson, M.R.
CitationJournal: To be Published
Title: Inhibitor-stabilised cleavage complexes of topoisomerase IIa: structural analysis of drug-dependent inter- and intramolecular interactions
Authors: Laponogov, I. / Pan, X.-S. / Veselkov, D.A. / McAuley, K.E. / Fisher, L.M. / Sanderson, M.R.
History
DepositionMar 28, 2011Deposition site: RCSB / Processing site: PDBJ
Revision 1.0Mar 28, 2012Provider: repository / Type: Initial release
Revision 1.1Oct 30, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_entry_details.has_protein_modification / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: DNA topoisomerase 4 subunit A
B: DNA topoisomerase 4 subunit A
C: DNA topoisomerase 4 subunit B
D: DNA topoisomerase 4 subunit B
E: 5'-D(*CP*AP*TP*GP*AP*AP*T)-3'
F: 5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*G)-3'
G: 5'-D(*CP*GP*TP*GP*CP*AP*T)-3'
H: 5'-D(P*GP*AP*CP*TP*AP*TP*GP*CP*AP*CP*G)-3'
F: 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione
H: 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione
hetero molecules


Theoretical massNumber of molelcules
Total (without water)185,50414
Polymers184,6848
Non-polymers8206
Water72140
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area19830 Å2
ΔGint-119 kcal/mol
Surface area56560 Å2
MethodPISA
Unit cell
Length a, b, c (Å)158.550, 158.550, 210.330
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number152
Space group name H-MP3121

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Components

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DNA topoisomerase 4 subunit ... , 2 types, 4 molecules ABCD

#1: Protein DNA topoisomerase 4 subunit A / Topoisomerase IV subunit A


Mass: 56455.434 Da / Num. of mol.: 2 / Fragment: UNP residues 1-488
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Streptococcus pneumoniae (bacteria) / Strain: 7785 / Gene: ParC / Plasmid: pET29A / Production host: Escherichia coli (E. coli)
References: UniProt: P72525, Isomerases; Other isomerases; Sole sub-subclass for isomerases that do not belong in the other subclasses
#2: Protein DNA topoisomerase 4 subunit B / Topoisomerase IV subunit B


Mass: 30415.703 Da / Num. of mol.: 2 / Fragment: UNP residues 404-647
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Streptococcus pneumoniae (bacteria) / Strain: 7785 / Gene: ParE / Plasmid: pET19B / Production host: Escherichia coli (E. coli)
References: UniProt: Q59961, Isomerases; Other isomerases; Sole sub-subclass for isomerases that do not belong in the other subclasses

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DNA chain , 4 types, 4 molecules EFGH

#3: DNA chain 5'-D(*CP*AP*TP*GP*AP*AP*T)-3'


Mass: 2121.436 Da / Num. of mol.: 1 / Source method: obtained synthetically
#4: DNA chain 5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*G)-3'


Mass: 3348.209 Da / Num. of mol.: 1 / Source method: obtained synthetically
#5: DNA chain 5'-D(*CP*GP*TP*GP*CP*AP*T)-3'


Mass: 2113.410 Da / Num. of mol.: 1 / Source method: obtained synthetically
#6: DNA chain 5'-D(P*GP*AP*CP*TP*AP*TP*GP*CP*AP*CP*G)-3'


Mass: 3358.211 Da / Num. of mol.: 1 / Source method: obtained synthetically

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Non-polymers , 3 types, 46 molecules FH

#7: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#8: Chemical
ChemComp-PDQ / 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione


Mass: 361.414 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C18H24FN5O2
#9: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 40 / Source method: isolated from a natural source / Formula: H2O

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Details

Has protein modificationY
Sequence detailsCONSERVED MUTATION

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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: 4.13 Å3/Da / Density % sol: 70.23 %
Crystal growTemperature: 304 K / Method: vapor diffusion, sitting drop / pH: 6.5
Details: 50 mM sodium cacodylate, 5-6% isopropanol, optimised mixture of salts, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 304K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.9762 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Aug 5, 2010
RadiationMonochromator: DOUBLE CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9762 Å / Relative weight: 1
ReflectionResolution: 2.71→114.977 Å / Num. all: 83475 / Num. obs: 83426 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 6 % / Biso Wilson estimate: 66.392 Å2 / Rmerge(I) obs: 0.239 / Rsym value: 0.239 / Net I/σ(I): 8.6
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. unique allDiffraction-ID% possible all
2.71-2.786.11.9360.461221100
2.78-2.866.11.5560.559422100
2.86-2.946.11.2880.657913100
2.94-3.036.10.940.856284100
3.03-3.136.10.6951.154565100
3.13-3.246.10.5381.453156100
3.24-3.366.10.3861.950967100
3.36-3.56.10.2862.649018100
3.5-3.6560.2183.347349100
3.65-3.8360.1783.9451810100
3.83-4.0460.1414.8433311100
4.04-4.2860.1175.6407012100
4.28-4.585.90.1026.2384513100
4.58-4.955.90.1175360714100
4.95-5.425.80.1294.6330115100
5.42-6.065.70.1514300716100
6.06-75.40.1155.326691799.2
7-8.575.50.068922631899.2
8.57-12.125.90.0599.9180219100
12.12-114.975.10.0578.610262097.2

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Processing

Software
NameVersionClassification
GDEdata collection
PHASERphasing
PHENIX(phenix.refine: 1.6.1_357)refinement
xia2(mosflm)data reduction
xia2(scala)data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.24→114.977 Å / SU ML: 0.35 / Cross valid method: THROUGHOUT / σ(F): 1.44 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2064 1505 3.07 %RANDOM
Rwork0.1668 ---
all0.1681 49022 --
obs0.1681 49022 99.77 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 25.014 Å2 / ksol: 0.3 e/Å3
Displacement parameters
Baniso -1Baniso -2Baniso -3
1-0.1955 Å2-0 Å2-0 Å2
2--0.1955 Å20 Å2
3----18.9756 Å2
Refinement stepCycle: LAST / Resolution: 3.24→114.977 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10403 730 56 40 11229
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00911493
X-RAY DIFFRACTIONf_angle_d1.28315718
X-RAY DIFFRACTIONf_dihedral_angle_d18.0034210
X-RAY DIFFRACTIONf_chiral_restr0.0751804
X-RAY DIFFRACTIONf_plane_restr0.0051919
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 11

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
3.2401-3.34470.25271310.21374252100
3.3447-3.46430.26111400.18914281100
3.4643-3.6030.2361330.17824293100
3.603-3.7670.18591360.16254281100
3.767-3.96560.2211360.154281100
3.9656-4.21410.18371340.14194279100
4.2141-4.53940.16261390.1364336100
4.5394-4.99630.17621380.13864319100
4.9963-5.71920.22621380.15624353100
5.7192-7.20550.19731420.18164360100
7.2055-115.04910.19411380.1788448298
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)
10.26640.3780.16811.25740.78360.5573-0.17730.04070.01010.01750.13520.15550.05470.07240.00770.20490.0393-0.03740.0627-0.00170.0139-78.954539.9904-9.1144
20.0274-0.0145-0.10950.8030.12420.54930.05830.08710.0261-0.0439-0.14730.4402-0.0285-0.03870.09880.02670.0239-0.02010.1901-0.04140.1665-85.584162.27898.107
31.13450.3263-0.30180.2162-0.10540.08380.2-0.2997-0.0530.1358-0.2097-0.0215-0.14010.1306-0.01310.1955-0.2427-0.05590.32020.00380.1781-90.21477.6363-4.014
40.3106-0.3583-0.35310.4480.2970.8110.1052-0.36870.71650.05780.057-0.25690.2327-0.5334-0.17160.0385-0.201-0.06120.5899-0.03840.4053-107.488-0.36980.094
50.0784-0.115-0.06610.24640.10460.3047-0.01780.0044-0.0120.05530.0415-0.0451-0.1070.017-0.03790.16610.02630.00210.0422-0.04690.0668-73.852116.02174.0206
60.4587-0.4394-0.55060.83770.60111.3867-0.0569-0.1-0.0906-0.14630.17910.0358-0.49320.1783-0.10740.2048-0.0097-0.00860.1075-0.00910.0421-73.147652.1252-8.9592
70.33270.17580.23670.18940.03440.25710.0450.06730.04840.1712-0.0196-0.01180.21990.1836-0.02340.32850.15120.01660.2047-0.06410.1688-54.0983-12.5015-8.5927
80.2764-0.24530.14160.4803-0.21670.2465-0.1771-0.00560.1034-0.0790.0138-0.1593-0.09640.03930.14090.2515-0.0106-0.01740.02150.00020.0541-65.34124.6885-16.7381
90.08680.1365-0.07531.1628-0.2640.0977-0.03510.0871-0.106-0.3684-0.0416-0.17310.2159-0.1084-0.0050.23110.0205-0.03060.0267-0.051-0.0107-72.35229.7262-17.9654
100.1057-0.11330.03210.2482-0.06080.468-0.0470.01020.0063-0.00430.0429-0.09770.17430.05130.01480.1218-0.02590.02180.0782-0.02410.0746-77.786841.966840.8548
110.18940.22270.03280.26520.08170.41650.07-0.0674-0.162-0.1030.099-0.2337-0.06390.0593-0.15110.0247-0.0490.03960.2048-0.05750.1423-74.651364.031421.738
121.3606-0.45731.01290.3109-0.04371.31380.21850.4552-0.1501-0.1371-0.19840.10320.0150.1637-0.04190.10610.0892-0.04890.188-0.07290.0709-63.63129.850637.7463
130.50740.3027-0.60170.4684-0.4720.75840.006-0.11520.2472-0.15610.17350.28720.21750.2899-0.18850.04520.0456-0.13050.29450.01240.1859-46.67982.9434.325
140.32610.11740.04460.35980.05770.7904-0.0063-0.0239-0.0101-0.13920.06490.0933-0.05930.0252-0.05220.1533-0.03310.02290.0287-0.00390.0784-80.857316.857329.439
150.0685-0.05840.08490.1195-0.10250.14210.0256-0.05770.0129-0.08610.0732-0.05970.1099-0.0782-0.02170.0858-0.11470.00160.0413-0.01330.0607-84.755953.121139.9112
160.2195-0.09550.02010.0555-0.02640.06320.1338-0.05030.0046-0.10560.01890.0830.036-0.1271-0.10870.2568-0.10550.07920.09070.03270.2126-99.5763-11.369244.0524
170.2275-0.0348-0.21720.23570.17460.483-0.0707-0.01330.01460.1489-0.01080.0939-0.0143-0.03870.05110.2772-0.01890.02670.102-0.02960.0047-90.022726.114549.2526
180.30370.1992-0.0440.44250.14460.2340.2049-0.2211-0.14650.3963-0.04650.00640.11860.1098-0.02460.2357-0.08460.07410.08930.0222-0.0525-82.035612.124551.7995
190.01240.0878-0.02181.07140.04210.1258-0.1872-0.06880.26490.11040.2237-0.2743-0.0455-0.1887-0.03530.29860.0462-0.12750.35340.01890.4997-105.020115.676512.9113
201.01570.28870.10020.0892-0.00190.13710.0004-0.07150.0865-0.06610.0020.05870.2045-0.1825-0.01290.4151-0.1938-0.11840.5512-0.15070.3729-99.4606-4.8568-11.2308
210.05090.0290.01080.0517-0.00970.0646-0.0981-0.1104-0.1039-0.04240.08130.15710.1233-0.2337-0.0332-0.0993-0.4991-0.0360.10580.00270.1397-101.3686-6.992611.1268
221.2511-0.32820.80662.43060.18032.0232-0.09950.0179-0.1627-0.23110.26440.1593-0.25780.3824-0.14240.3-0.1336-0.0630.34010.01330.2657-49.808517.902320.1001
230.0272-0.03710.01870.3031-0.05930.01890.0215-0.0549-0.0320.1940.134-00.0831-0.0422-0.13290.30390.2131-0.15270.31410.04670.2526-53.8038-1.698845.9463
240.0364-0.00990.03190.0651-0.01130.1708-0.06440.081-0.08410.06640.0525-0.12420.18140.2833-0.05770.00070.3124-0.13560.1272-0.01130.0738-52.1657-5.290624.0004
250.1136-0.01770.04430.01240.05190.44440.18220.0087-0.0929-0.06590.0504-0.06820.2032-0.0252-0.15110.4192-0.019-0.05990.2779-0.12620.1889-79.4336-4.61361.6114
260.27590.01920.19020.0357-0.10670.83750.2571-0.0254-0.13690.12720.01170.0830.05970.0522-0.19460.4696-0.0203-0.06590.26120.10480.1737-74.2195-3.314733.3599
271.45651.30480.16051.59530.03950.27550.1597-0.28050.26980.0399-0.12730.17910.00430.0079-0.03970.2799-0.03990.04040.3099-0.0370.3601-70.4119-4.419723.8412
280.0532-0.47080.18564.6124-1.43860.7759-0.1180.4888-0.16420.0685-0.2211-0.6539-0.00090.11760.33250.2915-0.11470.00420.44570.02080.4806-82.9168-4.926411.2514
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 343:382 )A343 - 382
2X-RAY DIFFRACTION2( CHAIN A AND RESID 383:429 )A383 - 429
3X-RAY DIFFRACTION3( CHAIN A AND RESID 18:30 )A18 - 30
4X-RAY DIFFRACTION4( CHAIN A AND RESID 3:17 )A3 - 17
5X-RAY DIFFRACTION5( CHAIN A AND RESID 31:154 )A31 - 154
6X-RAY DIFFRACTION6( CHAIN A AND RESID 430:455 )A430 - 455
7X-RAY DIFFRACTION7( CHAIN A AND RESID 239:322 )A239 - 322
8X-RAY DIFFRACTION8( CHAIN A AND RESID 456:482 )A456 - 482
9X-RAY DIFFRACTION9( CHAIN A AND ( RESID 155:238 OR RESID 323:342 OR RESID 483:484 OR RESID 700:700 OR RESID 802:872 ) ) OR ( CHAIN E AND RESID 843:873 ) OR ( CHAIN D AND RESID 800:800 )A155 - 238
10X-RAY DIFFRACTION9( CHAIN A AND ( RESID 155:238 OR RESID 323:342 OR RESID 483:484 OR RESID 700:700 OR RESID 802:872 ) ) OR ( CHAIN E AND RESID 843:873 ) OR ( CHAIN D AND RESID 800:800 )A323 - 342
11X-RAY DIFFRACTION9( CHAIN A AND ( RESID 155:238 OR RESID 323:342 OR RESID 483:484 OR RESID 700:700 OR RESID 802:872 ) ) OR ( CHAIN E AND RESID 843:873 ) OR ( CHAIN D AND RESID 800:800 )A483 - 484
12X-RAY DIFFRACTION9( CHAIN A AND ( RESID 155:238 OR RESID 323:342 OR RESID 483:484 OR RESID 700:700 OR RESID 802:872 ) ) OR ( CHAIN E AND RESID 843:873 ) OR ( CHAIN D AND RESID 800:800 )A700
13X-RAY DIFFRACTION9( CHAIN A AND ( RESID 155:238 OR RESID 323:342 OR RESID 483:484 OR RESID 700:700 OR RESID 802:872 ) ) OR ( CHAIN E AND RESID 843:873 ) OR ( CHAIN D AND RESID 800:800 )A802 - 872
14X-RAY DIFFRACTION9( CHAIN A AND ( RESID 155:238 OR RESID 323:342 OR RESID 483:484 OR RESID 700:700 OR RESID 802:872 ) ) OR ( CHAIN E AND RESID 843:873 ) OR ( CHAIN D AND RESID 800:800 )E843 - 873
15X-RAY DIFFRACTION9( CHAIN A AND ( RESID 155:238 OR RESID 323:342 OR RESID 483:484 OR RESID 700:700 OR RESID 802:872 ) ) OR ( CHAIN E AND RESID 843:873 ) OR ( CHAIN D AND RESID 800:800 )D800
16X-RAY DIFFRACTION10( CHAIN B AND RESID 343:382 )B343 - 382
17X-RAY DIFFRACTION11( CHAIN B AND RESID 383:429 )B383 - 429
18X-RAY DIFFRACTION12( CHAIN B AND RESID 18:30 )B18 - 30
19X-RAY DIFFRACTION13( CHAIN B AND RESID 3:17 )B3 - 17
20X-RAY DIFFRACTION14( CHAIN B AND RESID 31:154 )B31 - 154
21X-RAY DIFFRACTION15( CHAIN B AND RESID 430:455 )B430 - 455
22X-RAY DIFFRACTION16( CHAIN B AND RESID 239:322 )B239 - 322
23X-RAY DIFFRACTION17( CHAIN B AND RESID 456:482 )B456 - 482
24X-RAY DIFFRACTION18( CHAIN B AND ( RESID 155:238 OR RESID 323:342 OR RESID 483:484 OR RESID 700:700 OR RESID 800:872 ) ) OR ( CHAIN G AND RESID 818:834 )B155 - 238
25X-RAY DIFFRACTION18( CHAIN B AND ( RESID 155:238 OR RESID 323:342 OR RESID 483:484 OR RESID 700:700 OR RESID 800:872 ) ) OR ( CHAIN G AND RESID 818:834 )B323 - 342
26X-RAY DIFFRACTION18( CHAIN B AND ( RESID 155:238 OR RESID 323:342 OR RESID 483:484 OR RESID 700:700 OR RESID 800:872 ) ) OR ( CHAIN G AND RESID 818:834 )B483 - 484
27X-RAY DIFFRACTION18( CHAIN B AND ( RESID 155:238 OR RESID 323:342 OR RESID 483:484 OR RESID 700:700 OR RESID 800:872 ) ) OR ( CHAIN G AND RESID 818:834 )B700
28X-RAY DIFFRACTION18( CHAIN B AND ( RESID 155:238 OR RESID 323:342 OR RESID 483:484 OR RESID 700:700 OR RESID 800:872 ) ) OR ( CHAIN G AND RESID 818:834 )B800 - 872
29X-RAY DIFFRACTION18( CHAIN B AND ( RESID 155:238 OR RESID 323:342 OR RESID 483:484 OR RESID 700:700 OR RESID 800:872 ) ) OR ( CHAIN G AND RESID 818:834 )G818 - 834
30X-RAY DIFFRACTION19( CHAIN C AND RESID 539:581 )C539 - 581
31X-RAY DIFFRACTION20( CHAIN C AND RESID 610:634 )C610 - 634
32X-RAY DIFFRACTION21( CHAIN H AND RESID 744:744 ) OR ( CHAIN C AND ( RESID 415:538 OR RESID 582:609 OR RESID 635:640 OR RESID 742:742 OR RESID 830:830 ) )H744
33X-RAY DIFFRACTION21( CHAIN H AND RESID 744:744 ) OR ( CHAIN C AND ( RESID 415:538 OR RESID 582:609 OR RESID 635:640 OR RESID 742:742 OR RESID 830:830 ) )C415 - 538
34X-RAY DIFFRACTION21( CHAIN H AND RESID 744:744 ) OR ( CHAIN C AND ( RESID 415:538 OR RESID 582:609 OR RESID 635:640 OR RESID 742:742 OR RESID 830:830 ) )C582 - 609
35X-RAY DIFFRACTION21( CHAIN H AND RESID 744:744 ) OR ( CHAIN C AND ( RESID 415:538 OR RESID 582:609 OR RESID 635:640 OR RESID 742:742 OR RESID 830:830 ) )C635 - 640
36X-RAY DIFFRACTION21( CHAIN H AND RESID 744:744 ) OR ( CHAIN C AND ( RESID 415:538 OR RESID 582:609 OR RESID 635:640 OR RESID 742:742 OR RESID 830:830 ) )C742
37X-RAY DIFFRACTION21( CHAIN H AND RESID 744:744 ) OR ( CHAIN C AND ( RESID 415:538 OR RESID 582:609 OR RESID 635:640 OR RESID 742:742 OR RESID 830:830 ) )C830
38X-RAY DIFFRACTION22( CHAIN D AND RESID 539:581 )D539 - 581
39X-RAY DIFFRACTION23( CHAIN D AND RESID 610:634 )D610 - 634
40X-RAY DIFFRACTION24( CHAIN D AND ( RESID 415:538 OR RESID 582:609 OR RESID 635:640 OR RESID 742:742 OR RESID 831:832 ) )D415 - 538
41X-RAY DIFFRACTION24( CHAIN D AND ( RESID 415:538 OR RESID 582:609 OR RESID 635:640 OR RESID 742:742 OR RESID 831:832 ) )D582 - 609
42X-RAY DIFFRACTION24( CHAIN D AND ( RESID 415:538 OR RESID 582:609 OR RESID 635:640 OR RESID 742:742 OR RESID 831:832 ) )D635 - 640
43X-RAY DIFFRACTION24( CHAIN D AND ( RESID 415:538 OR RESID 582:609 OR RESID 635:640 OR RESID 742:742 OR RESID 831:832 ) )D742
44X-RAY DIFFRACTION24( CHAIN D AND ( RESID 415:538 OR RESID 582:609 OR RESID 635:640 OR RESID 742:742 OR RESID 831:832 ) )D831 - 832
45X-RAY DIFFRACTION25( CHAIN E AND RESID 9:15 ) OR ( CHAIN F AND RESID 1:11 )E9 - 15
46X-RAY DIFFRACTION25( CHAIN E AND RESID 9:15 ) OR ( CHAIN F AND RESID 1:11 )F1 - 11
47X-RAY DIFFRACTION26( CHAIN H AND RESID 1:11 ) OR ( CHAIN G AND RESID 9:15 )H1 - 11
48X-RAY DIFFRACTION26( CHAIN H AND RESID 1:11 ) OR ( CHAIN G AND RESID 9:15 )G9 - 15
49X-RAY DIFFRACTION27( CHAIN H AND RESID 0:0 )H0
50X-RAY DIFFRACTION28( CHAIN F AND RESID 0:0 )F0

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