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- PDB-4f49: 2.25A resolution structure of Transmissible Gastroenteritis Virus... -

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Basic information

Entry
Database: PDB / ID: 4f49
Title2.25A resolution structure of Transmissible Gastroenteritis Virus Protease containing a covalently bound Dipeptidyl Inhibitor
Components3C-like proteinase
KeywordsHYDROLASE/Hydrolase INHIBITOR / PROTEASE / ANTIVIRAL INHIBITORS / DIPEPTIDYL INHIBITOR / HYDROLASE-Hydrolase INHIBITOR complex
Function / homology
Function and homology information


host cell membrane / viral genome replication / transferase activity / omega peptidase activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of IRF3 activity / symbiont-mediated perturbation of host ubiquitin-like protein modification / ubiquitinyl hydrolase 1 / cysteine-type deubiquitinase activity / Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases / host cell perinuclear region of cytoplasm ...host cell membrane / viral genome replication / transferase activity / omega peptidase activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of IRF3 activity / symbiont-mediated perturbation of host ubiquitin-like protein modification / ubiquitinyl hydrolase 1 / cysteine-type deubiquitinase activity / Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases / host cell perinuclear region of cytoplasm / viral protein processing / induction by virus of host autophagy / cysteine-type endopeptidase activity / proteolysis / RNA binding / zinc ion binding / membrane
Similarity search - Function
Alphacoronavirus nsp1 / Replicase polyprotein N-term from Coronavirus nsp1 / Alphacoronavirus nsp1 domain superfamily / Non-structural protein 5, alphacoronavirus / Non-structural protein 6, alphacoronavirus / Nonstructural protein 2, HCoV-229E-like / main proteinase (3clpro) structure, domain 3 / main proteinase (3clpro) structure, domain 3 / Coronavirus 3Ecto domain profile. / Papain-like protease, N-terminal domain superfamily, coronavirus ...Alphacoronavirus nsp1 / Replicase polyprotein N-term from Coronavirus nsp1 / Alphacoronavirus nsp1 domain superfamily / Non-structural protein 5, alphacoronavirus / Non-structural protein 6, alphacoronavirus / Nonstructural protein 2, HCoV-229E-like / main proteinase (3clpro) structure, domain 3 / main proteinase (3clpro) structure, domain 3 / Coronavirus 3Ecto domain profile. / Papain-like protease, N-terminal domain superfamily, coronavirus / : / Coronavirus (CoV) Nsp2 middle domain profile. / Coronavirus (CoV) Nsp2 N-terminal domain profile. / Coronavirus (CoV) Nsp2 C-terminal domain profile. / NSP1, globular domain, alpha/betacoronavirus / : / Coronavirus (CoV) Nsp3 Y domain profile. / Coronavirus (CoV) Nsp1 globular domain profile. / Coronavirus replicase NSP2, N-terminal / Nonstructural protein 2, N-terminal domain, coronavirus / Coronavirus replicase NSP2, C-terminal / Non-structural protein 2, C-terminal domain, coronavirus / Coronavirus Nsp3a Ubl domain profile. / Coronavirus Nsp3d Ubl domain profile. / Coronavirus RNA-dependent RNA polymerase (RdRp) Nsp7 cofactor domain profile. / Coronavirus RNA-dependent RNA polymerase (RdRp) Nsp8 cofactor domain profile. / Coronavirus Nsp9 single-stranded RNA (ssRNA)-binding domain profile. / Coronavirus (CoV) ExoN/MTase coactivator domain profile. / NSP3, first ubiquitin-like (Ubl) domain, coronavirus / NSP3, second ubiquitin-like (Ubl) domain, coronavirus / Coronavirus Nsp4 C-terminal (Nsp4C) domain profile. / Trypsin-like serine proteases / Papain-like protease, thumb domain superfamily, coronavirus / Coronavirus replicase NSP7 / Peptidase family C16 domain profile. / Non-structural protein NSP7, coronavirus / Peptidase C30, coronavirus / Peptidase C16, coronavirus / Non-structural protein NSP9, coronavirus / Non-structural protein NSP8, coronavirus / RNA synthesis protein NSP10, coronavirus / Non-structural protein NSP4, C-terminal, coronavirus / RNA synthesis protein NSP10 superfamily, coronavirus / Non-structural protein NSP9 superfamily, coronavirus / Non-structural protein NSP7 superfamily, coronavirus / Non-structural protein NSP8 superfamily, coronavirus / Non-structural protein NSP4, C-terminal superfamily, coronavirus / Peptidase C30, domain 3, coronavirus / Non-structural protein 6, coronavirus / Coronavirus replicase NSP3, C-terminal / Non-structural protein NSP4, N-terminal, coronavirus / Coronavirus endopeptidase C30 / Coronavirus papain-like peptidase / Coronavirus replicase NSP8 / Coronavirus RNA synthesis protein NSP10 / Coronavirus replicase NSP4, C-terminal / Coronavirus replicase NSP6 / Coronavirus replicase NSP4, N-terminal / Coronavirus replicase NSP3, C-terminal / Coronavirus main protease (M-pro) domain profile. / Coronavirus replicase NSP9 / Non-structural protein 3, X-domain-like / Thrombin, subunit H / Macro domain / Appr-1"-p processing enzyme / Macro domain / Macro domain profile. / Macro domain-like / Peptidase S1, PA clan, chymotrypsin-like fold / Peptidase S1, PA clan / Beta Barrel / Orthogonal Bundle / Mainly Beta / Mainly Alpha
Similarity search - Domain/homology
Chem-K36 / Replicase polyprotein 1a
Similarity search - Component
Biological speciesPorcine transmissible gastroenteritis coronavirus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.25 Å
AuthorsLovell, S. / Battaile, K.P. / Kim, Y. / Tiew, K.-C. / Mandadapu, S.R. / Alliston, K.R. / Groutas, W.C. / Chang, K.-O.
CitationJournal: J.Virol. / Year: 2012
Title: Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
Authors: Kim, Y. / Lovell, S. / Tiew, K.C. / Mandadapu, S.R. / Alliston, K.R. / Battaile, K.P. / Groutas, W.C. / Chang, K.O.
History
DepositionMay 10, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 5, 2012Provider: repository / Type: Initial release
Revision 1.1Nov 14, 2012Group: Database references
Revision 1.2Nov 15, 2017Group: Advisory / Refinement description / Category: pdbx_unobs_or_zero_occ_atoms / software / Item: _software.name
Revision 1.3May 20, 2020Group: Database references / Derived calculations / Structure summary
Category: chem_comp / struct_conn / struct_ref_seq_dif
Item: _chem_comp.pdbx_synonyms / _struct_conn.pdbx_leaving_atom_flag / _struct_ref_seq_dif.details
Revision 1.4Sep 13, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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: 3C-like proteinase
B: 3C-like proteinase
C: 3C-like proteinase
D: 3C-like proteinase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)138,7559
Polymers136,6184
Non-polymers2,1365
Water5,350297
1
A: 3C-like proteinase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)34,6402
Polymers34,1551
Non-polymers4861
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: 3C-like proteinase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)34,6402
Polymers34,1551
Non-polymers4861
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
3
C: 3C-like proteinase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)34,6402
Polymers34,1551
Non-polymers4861
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
4
D: 3C-like proteinase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)34,8343
Polymers34,1551
Non-polymers6802
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)60.662, 170.140, 66.130
Angle α, β, γ (deg.)90.000, 113.320, 90.000
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein
3C-like proteinase / 3CL-PRO / 3CLp / M-PRO / nsp5 / p34


Mass: 34154.547 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Porcine transmissible gastroenteritis coronavirus
Strain: Purdue / Gene: 1a / Plasmid: pET28(+) / Production host: Escherichia coli (E. coli) / Strain (production host): BL21
References: UniProt: P0C6V2, Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases
#2: Chemical
ChemComp-K36 / (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid / GC376 / GC376


Type: peptide-like / Mass: 485.551 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C21H31N3O8S / Comment: medication, antivirus*YM
#3: Chemical ChemComp-PG4 / TETRAETHYLENE GLYCOL / Polyethylene glycol


Mass: 194.226 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C8H18O5 / Comment: precipitant*YM
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 297 / Source method: isolated from a natural source / Formula: H2O
Nonpolymer detailsWHEN THE K36 LIGAND IS MIXED WITH THE TGEV PROTEASE, IT FORMS A COVALENT COMPLEX WITH A LINKAGE ...WHEN THE K36 LIGAND IS MIXED WITH THE TGEV PROTEASE, IT FORMS A COVALENT COMPLEX WITH A LINKAGE BETWEEN C21 OF THE LIGAND AND THE SULFUR ATOM (SG) OF CYS144. THE BISULFITE FUNCTIONAL GROUP OF K36 IS REMOVED DURING THIS REACTION

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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: 2.29 Å3/Da / Density % sol: 46.38 %
Crystal growTemperature: 298 K / Method: vapor diffusion
Details: 20% PEG 3350, 100 mM MES, 200 mM sodium acetate, vapor diffusion, temperature 298K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 17-ID / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Oct 16, 2011
RadiationProtocol: SINGLE WAVELENGTH / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.25→170.14 Å / Num. all: 57334 / Num. obs: 57334 / % possible obs: 98.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 3.56 % / Rmerge(I) obs: 0.126 / Net I/σ(I): 7.0574
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. measured allNum. unique all% possible all
2.25-2.373.480.61.9828686823297.71
2.37-2.523.690.422.7429082788197.93
2.52-2.693.640.33.726900738498.21
2.69-2.93.550.234.6824680695698.56
2.9-3.183.40.176.3321666637498.89
3.18-3.563.480.119.4120105577498.96
3.56-4.113.710.0813.3819019513399.21
4.11-5.033.580.0615.515578434799.27
5.03-7.123.350.0613.311268336199.7
7.12-170.143.720.0516.67032189299.77

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Phasing

PhasingMethod: molecular replacement
Phasing MR
Highest resolutionLowest resolution
Rotation2.5 Å34.87 Å
Translation2.5 Å34.87 Å

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Processing

Software
NameVersionClassificationNB
SCALACCP4_3.3.20data scaling
PHASER2.4.0phasing
PHENIXdev_961refinement
PDB_EXTRACT3.11data extraction
JDirectordata collection
XDSdata reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 2AMP

2amp


Resolution: 2.25→55.708 Å / Occupancy max: 1 / Occupancy min: 1 / SU ML: 0.34 / Cross valid method: THROUGHOUT / σ(F): 1.39 / Phase error: 23.12 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2405 2907 5.08 %RANDOM
Rwork0.1813 ---
obs0.1844 57275 98.48 %-
Solvent computationShrinkage radii: 0.73 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 39.987 Å2 / ksol: 0.4 e/Å3
Displacement parametersBiso max: 94.6 Å2 / Biso mean: 31.8543 Å2 / Biso min: 11.94 Å2
Baniso -1Baniso -2Baniso -3
1--4.7032 Å20 Å21.6393 Å2
2---1.3206 Å20 Å2
3---6.0238 Å2
Refinement stepCycle: LAST / Resolution: 2.25→55.708 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9087 0 129 297 9513
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.019407
X-RAY DIFFRACTIONf_angle_d1.30512735
X-RAY DIFFRACTIONf_chiral_restr0.0861422
X-RAY DIFFRACTIONf_plane_restr0.0051635
X-RAY DIFFRACTIONf_dihedral_angle_d17.2853356
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 21

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.25-2.28690.30911280.262522265097
2.2869-2.32630.3091620.22412544270698
2.3263-2.36860.26241120.21482567267998
2.3686-2.41420.27271360.19692605274198
2.4142-2.46350.28681140.19912564267898
2.4635-2.5170.26621500.2022561271198
2.517-2.57560.26841620.1922562272498
2.5756-2.640.28941320.19972587271998
2.64-2.71140.31661070.19382592269998
2.7114-2.79110.27891280.19382615274398
2.7911-2.88120.25731460.1912575272198
2.8812-2.98420.27661260.1892564269099
2.9842-3.10370.24711660.19012583274999
3.1037-3.24490.25191540.19032570272499
3.2449-3.4160.25661410.18852625276699
3.416-3.630.23161350.18632597273299
3.63-3.91020.24541540.17332606276099
3.9102-4.30350.18791560.14462593274999
4.3035-4.92590.17211280.12982620274899
4.9259-6.20490.20031300.168526482778100
6.2049-55.7080.2171400.19112668280899
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)
12.4746-0.55620.44910.9069-0.5092.3133-0.1877-0.52690.10070.27220.1032-0.0531-0.01450.14840.04320.26610.0673-0.0310.279-0.0490.202922.25272.323619.2022
21.86540.22391.15490.8134-0.79711.81960.1968-0.83230.33410.6036-0.1112-0.0902-0.52410.0783-0.01270.4190.0072-0.11640.4584-0.10430.274124.694411.028224.0552
33.34080.53730.30050.9489-0.03113.2473-0.0229-0.07190.2120.05480.08760.1470.1303-0.2621-0.04830.16720.0101-0.04080.2109-0.04570.146311.67626.14639.0266
42.6237-0.46641.92670.7908-0.45291.9718-0.0512-0.43260.09490.1460.11580.1056-0.0861-0.2362-0.07050.21170.03230.01150.2609-0.02810.15837.27994.744311.1657
52.4844-0.6167-0.57542.3118-0.22233.96670.0503-0.2512-0.01410.0989-0.0980.0242-0.3787-0.45010.02430.16290.0092-0.08340.20320.01330.1784-13.02178.4413-2.6791
65.04034.1344-1.2396.3936-3.12675.1916-0.15610.27370.5258-0.25590.1483-0.21-0.1879-0.31150.0230.21150.01420.01760.17360.02930.3351-9.577412.9787-7.6543
74.39632.7745-0.52995.16121.13972.4019-0.1124-0.25730.0688-0.42380.014-0.1128-0.0470.24880.07640.19010.0312-0.02130.15780.04580.33540.48996.5843-7.0182
80.79410.41960.01481.7214-0.10761.96040.07450.14350.40440.03720.0005-0.0741-0.3092-0.0087-0.02530.15420.0198-0.00960.20780.08220.34424.84716.9717-13.3181
91.20990.5810.79483.2391.13072.20910.06650.17830.754-0.26940.16670.0809-1.13920.02330.15450.37670.01950.07890.18470.12930.559831.062427.8478-18.832
102.27961.50821.71634.293.94764.189-0.38940.46480.3675-0.72590.5318-0.8887-0.53340.3043-0.26170.28470.01480.14660.27520.10290.432935.19419.637-21.2905
113.51190.90771.26651.72372.1793.03290.0585-0.0091-0.09250.30730.2887-0.3760.1520.4211-0.27750.1712-0.0129-0.01490.1530.05660.240434.42159.7273-9.4735
122.90420.14030.03024.72492.88334.2013-0.02870.20310.2805-0.00560.2354-0.19470.2132-0.2199-0.11680.1349-0.0480.01280.20950.07240.165618.48738.2247-11.7684
131.37760.9389-0.21323.338-0.30440.0507-0.03380.31740.0693-0.19850.0151-0.1516-0.03470.0046-0.00850.21310.0056-0.02960.29430.03660.173319.89544.1831-17.0609
143.44650.7137-0.51143.2234-0.07421.0955-0.27380.4571-0.2337-0.26360.1441-0.19650.0279-0.14780.11720.2688-0.032-0.00840.1975-0.00310.14879.8972-19.0014-16.393
153.1863-1.38770.28414.79790.05753.6244-0.09790.0863-0.04770.09870.05050.3191-0.087-0.04180.04970.1661-0.01960.02290.20040.04050.17388.5494-17.7012-9.5288
167.6531.60112.26712.52341.18783.9239-0.54140.02380.15840.20840.4093-0.1963-0.54020.39960.11210.25560.0223-0.01580.1724-0.03680.198414.9758-8.1688-5.6954
173.11551.1125-2.27561.3823-2.01722.7585-0.14840.1423-0.2344-0.18850.0917-0.10290.0330.03470.0420.2006-0.00550.00910.1748-0.0570.167551.3169-33.3226-8.4799
182.0879-0.08-0.01381.1579-0.34652.1034-0.10830.4009-0.2869-0.14020.0276-0.03860.0336-0.02040.08610.1935-0.02440.04850.2478-0.06540.178548.442-32.6434-17.3832
192.6730.931-3.0330.8428-1.0244.055-0.04330.4566-0.1195-0.01810.1405-0.0405-0.0528-0.4947-0.11810.1707-0.0038-0.01250.2954-0.01080.203331.9637-31.85-10.1045
203.00041.661.54471.9780.16794.8130.0343-0.0905-0.00980.0232-0.15610.10870.4921-0.21780.06120.19710.03060.06630.24980.02960.216717.5437-36.33163.5569
215.6139-3.75531.40236.8474-2.92513.2203-0.1282-0.1156-0.51310.36060.22050.05560.025-0.0889-0.0590.23380.0098-0.01150.18420.02230.333720.7292-40.89917.8561
222.433-1.48091.11093.09450.4851.53250.0510.1051-0.25040.1737-0.21480.1388-0.08590.19870.110.1398-0.0540.04950.21780.05790.237430.6175-34.56487.368
230.9888-0.39850.14231.9335-0.43951.06780.1078-0.2397-0.31250.0944-0.02-0.00690.128-0.0124-0.08090.2022-0.01030.0170.23460.09050.333854.8439-44.827713.5568
241.6126-0.4646-0.89243.49810.06292.7193-0.155-0.3359-0.61580.54940.0970.06530.65340.17560.04570.39810.03750.07220.28510.17040.614461.5288-55.792719.7804
252.2117-2.4935-1.89383.95573.74743.8732-0.1732-0.253-0.12580.69290.1077-1.01280.35430.202-0.05860.27880.0593-0.09320.38180.13890.524665.5929-47.762421.3083
263.367-0.6332-1.17030.96651.22832.7867-0.0490.00860.1191-0.05190.1368-0.3433-0.1860.281-0.11880.2096-0.00260.01510.13980.03540.249664.7368-37.61559.624
273.7368-0.19760.72874.51531.88683.6742-0.2062-0.042-0.07920.06920.2741-0.1273-0.1155-0.0563-0.0170.16780.03510.01570.23520.0610.229548.7928-36.252212.1005
281.3049-1.1895-0.31812.9751-0.1790.0247-0.1362-0.3469-0.21240.33250.15540.1312-0.06370.1218-0.03930.26720.04150.02660.27780.04410.204950.1619-32.411217.4661
291.62630.20450.63862.1673-1.02960.8906-0.2546-0.22550.25680.34610.07460.10940.0910.24350.03330.30810.1021-0.03250.3305-0.00810.104340.5413-8.848916.8693
306.86440.2466-2.74754.5025-0.23986.66650.0005-0.2760.23140.12540.0075-0.3421-0.2960.0290.04120.16420.0162-0.04230.18290.01820.194142.2643-7.702510.0306
317.5195-0.596-1.16922.88710.76423.7875-0.00440.2249-0.2253-0.31770.07780.19070.21990.1156-0.04780.25850.0110.01240.15490.01050.229640.2822-19.14226.908
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 0 through 75 )A0
2X-RAY DIFFRACTION2chain 'A' and (resid 76 through 100 )A0
3X-RAY DIFFRACTION3chain 'A' and (resid 101 through 138 )A0
4X-RAY DIFFRACTION4chain 'A' and (resid 139 through 212 )A0
5X-RAY DIFFRACTION5chain 'A' and (resid 213 through 244 )A0
6X-RAY DIFFRACTION6chain 'A' and (resid 245 through 270 )A0
7X-RAY DIFFRACTION7chain 'A' and (resid 271 through 299 )A0
8X-RAY DIFFRACTION8chain 'B' and (resid 1 through 52 )B0
9X-RAY DIFFRACTION9chain 'B' and (resid 53 through 75 )B0
10X-RAY DIFFRACTION10chain 'B' and (resid 76 through 90 )B0
11X-RAY DIFFRACTION11chain 'B' and (resid 91 through 109 )B0
12X-RAY DIFFRACTION12chain 'B' and (resid 110 through 138 )B0
13X-RAY DIFFRACTION13chain 'B' and (resid 139 through 212 )B0
14X-RAY DIFFRACTION14chain 'B' and (resid 213 through 244 )B0
15X-RAY DIFFRACTION15chain 'B' and (resid 245 through 280 )B0
16X-RAY DIFFRACTION16chain 'B' and (resid 281 through 298 )B0
17X-RAY DIFFRACTION17chain 'C' and (resid 0 through 32 )C0
18X-RAY DIFFRACTION18chain 'C' and (resid 33 through 174 )C0
19X-RAY DIFFRACTION19chain 'C' and (resid 175 through 212 )C0
20X-RAY DIFFRACTION20chain 'C' and (resid 213 through 244 )C0
21X-RAY DIFFRACTION21chain 'C' and (resid 245 through 270 )C0
22X-RAY DIFFRACTION22chain 'C' and (resid 271 through 299 )C0
23X-RAY DIFFRACTION23chain 'D' and (resid 0 through 52 )D0
24X-RAY DIFFRACTION24chain 'D' and (resid 53 through 75 )D0
25X-RAY DIFFRACTION25chain 'D' and (resid 76 through 90 )D0
26X-RAY DIFFRACTION26chain 'D' and (resid 91 through 109 )D0
27X-RAY DIFFRACTION27chain 'D' and (resid 110 through 138 )D0
28X-RAY DIFFRACTION28chain 'D' and (resid 139 through 212 )D0
29X-RAY DIFFRACTION29chain 'D' and (resid 213 through 244 )D0
30X-RAY DIFFRACTION30chain 'D' and (resid 245 through 270 )D0
31X-RAY DIFFRACTION31chain 'D' and (resid 271 through 299 )D0

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