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- PDB-6mgk: Crystal structure of the catalytic domain from GH74 enzyme PoGH74... -

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Basic information

Entry
Database: PDB / ID: 6mgk
TitleCrystal structure of the catalytic domain from GH74 enzyme PoGH74 from Paenibacillus odorifer, in complex with XLX xyloglucan
ComponentsXyloglucanase
KeywordsHYDROLASE / GLYCOSYLHYDROLASE / FAMILY GH74 / XYLOGLUCANASE
Function / homology
Function and homology information


xyloglucan metabolic process / hydrolase activity, acting on glycosyl bonds / cellulose binding / polysaccharide catabolic process / metal ion binding
Similarity search - Function
Carbohydrate binding X2 domain / Carbohydrate binding domain X2 / Cellulose binding domain / Cellulose binding domain / Carbohydrate-binding module 3 / Carbohydrate-binding module 3 superfamily / CBM3 (carbohydrate binding type-3) domain profile. / CBM2/CBM3, carbohydrate-binding domain superfamily / YVTN repeat-like/Quinoprotein amine dehydrogenase / 7 Propeller ...Carbohydrate binding X2 domain / Carbohydrate binding domain X2 / Cellulose binding domain / Cellulose binding domain / Carbohydrate-binding module 3 / Carbohydrate-binding module 3 superfamily / CBM3 (carbohydrate binding type-3) domain profile. / CBM2/CBM3, carbohydrate-binding domain superfamily / YVTN repeat-like/Quinoprotein amine dehydrogenase / 7 Propeller / Methylamine Dehydrogenase; Chain H / Immunoglobulin E-set / WD40/YVTN repeat-like-containing domain superfamily / Immunoglobulin-like fold / Mainly Beta
Similarity search - Domain/homology
Chem-PE3 / Xyloglucanase
Similarity search - Component
Biological speciesPaenibacillus odorifer (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.1 Å
AuthorsStogios, P.J. / Skarina, T. / Nocek, B. / Arnal, G. / Brumer, H. / Savchenko, A.
Funding support Canada, 1items
OrganizationGrant numberCountry
Natural Sciences and Engineering Research Council (NSERC, Canada)Industrial Biocatalysis Network Canada
CitationJournal: Biochem. J. / Year: 2018
Title: Structural enzymology reveals the molecular basis of substrate regiospecificity and processivity of an exemplar bacterial glycoside hydrolase family 74endo-xyloglucanase.
Authors: Arnal, G. / Stogios, P.J. / Asohan, J. / Skarina, T. / Savchenko, A. / Brumer, H.
History
DepositionSep 14, 2018Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 23, 2019Provider: repository / Type: Initial release
Revision 1.1Jan 8, 2020Group: Author supporting evidence / Data collection / Category: chem_comp / pdbx_audit_support
Item: _chem_comp.type / _pdbx_audit_support.funding_organization
Revision 2.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_struct_special_symmetry / pdbx_unobs_or_zero_occ_atoms / struct_asym / struct_conn / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_special_symmetry.label_asym_id / _pdbx_unobs_or_zero_occ_atoms.label_asym_id / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Oct 11, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag
Revision 2.2Nov 15, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Xyloglucanase
B: Xyloglucanase
C: Xyloglucanase
D: Xyloglucanase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)336,20864
Polymers324,1104
Non-polymers12,09860
Water60,8373377
1
A: Xyloglucanase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)84,11416
Polymers81,0271
Non-polymers3,08715
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
B: Xyloglucanase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)84,59218
Polymers81,0271
Non-polymers3,56517
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
3
C: Xyloglucanase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)83,93014
Polymers81,0271
Non-polymers2,90213
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
4
D: Xyloglucanase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)83,57116
Polymers81,0271
Non-polymers2,54415
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)239.263, 212.471, 91.647
Angle α, β, γ (deg.)90.00, 105.50, 90.00
Int Tables number5
Space group name H-MC121
Components on special symmetry positions
IDModelComponents
11A-1145-

HOH

21A-1434-

HOH

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Components

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Protein , 1 types, 4 molecules ABCD

#1: Protein
Xyloglucanase


Mass: 81027.398 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Paenibacillus odorifer (bacteria) / Gene: BSK60_29080 / Plasmid: p15TV-LIC / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: A0A1R0YRH0

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Sugars , 2 types, 4 molecules

#2: Polysaccharide beta-D-galactopyranose-(1-2)-alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D- ...beta-D-galactopyranose-(1-2)-alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose


Type: oligosaccharide / Mass: 768.667 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGalpb1-2DXylpa1-6DGlcpb1-4[DXylpa1-6]DGlcpb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,5,4/[a2122h-1b_1-5][a212h-1a_1-5][a2112h-1b_1-5]/1-1-2-3-2/a4-b1_a6-e1_b6-c1_c2-d1WURCSPDB2Glycan 1.1.0
[][b-D-Glcp]{[(4+1)][b-D-Glcp]{[(6+1)][a-D-Xylp]{[(2+1)][b-D-Galp]{}}}[(6+1)][a-D-Xylp]{}}LINUCSPDB-CARE
#3: Polysaccharide alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-2)-alpha-D- ...alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-2)-alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose


Type: oligosaccharide / Mass: 1062.923 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DXylpa1-6DGlcpb1-4[DGalpb1-2DXylpa1-6]DGlcpb1-4[DXylpa1-6]DGlcpb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,7,6/[a2122h-1b_1-5][a212h-1a_1-5][a2112h-1b_1-5]/1-1-1-2-2-3-2/a4-b1_a6-g1_b4-c1_b6-e1_c6-d1_e2-f1WURCSPDB2Glycan 1.1.0
[][b-D-Glcp]{[(4+1)][b-D-Glcp]{[(4+1)][b-D-Glcp]{[(6+1)][a-D-Xylp]{}}[(6+1)][a-D-Xylp]{[(2+1)][b-D-Galp]{}}}[(6+1)][a-D-Xylp]{}}LINUCSPDB-CARE

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Non-polymers , 4 types, 3433 molecules

#4: Chemical...
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 45
Source method: isolated from a genetically manipulated source
Formula: C3H8O3
#5: Chemical
ChemComp-PE3 / 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL / POLYETHYLENE GLYCOL / Polyethylene glycol


Mass: 634.751 Da / Num. of mol.: 7
Source method: isolated from a genetically manipulated source
Formula: C28H58O15
#6: Chemical
ChemComp-CL / CHLORIDE ION / Chloride


Mass: 35.453 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Formula: Cl
#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 3377 / Source method: isolated from a natural source / Formula: H2O

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Details

Sequence detailsThe sequence of xyloglucanase is from GenBank: AIQ73809

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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: 3.49 Å3/Da / Density % sol: 64.78 %
Crystal growTemperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7
Details: 0.2 M potassium sodium tartrate, 20% PEG3350, 5 mM xyloglucan mixture

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.978 Å
DetectorType: DECTRIS PILATUS3 X 6M / Detector: PIXEL / Date: Apr 26, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.978 Å / Relative weight: 1
ReflectionResolution: 2.1→40 Å / Num. obs: 252675 / % possible obs: 99 % / Redundancy: 3.6 % / Rmerge(I) obs: 0.093 / Net I/σ(I): 11.4
Reflection shellResolution: 2.1→2.14 Å / Redundancy: 3.1 % / Rmerge(I) obs: 0.479 / Mean I/σ(I) obs: 2.21 / Num. unique obs: 252675 / % possible all: 97.1

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Processing

Software
NameVersionClassification
PHENIX(DEV_3092: ???)refinement
HKL-3000data reduction
HKL-3000data scaling
PHENIXphasing
PHENIXmodel building
Cootmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2CN3

2cn3


Resolution: 2.1→39.29 Å / SU ML: 0.18 / Cross valid method: THROUGHOUT / σ(F): 1.37 / Phase error: 17.81 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.181 2000 5.01 %RANDOM
Rwork0.158 ---
obs0.159 236912 83.7 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.1→39.29 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms22640 0 582 3377 26599
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00323867
X-RAY DIFFRACTIONf_angle_d0.69332553
X-RAY DIFFRACTIONf_dihedral_angle_d13.478175
X-RAY DIFFRACTIONf_chiral_restr0.0483522
X-RAY DIFFRACTIONf_plane_restr0.0044125
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.1006-2.12450.25032850.21745671X-RAY DIFFRACTION35
2.1245-2.14940.23123800.21916959X-RAY DIFFRACTION44
2.1494-2.17570.23744310.21757975X-RAY DIFFRACTION50
2.1757-2.20320.25014650.21388769X-RAY DIFFRACTION55
2.2032-2.23220.2265120.21499607X-RAY DIFFRACTION60
2.2322-2.26280.23575460.211810405X-RAY DIFFRACTION65
2.2628-2.29510.23115940.208411278X-RAY DIFFRACTION70
2.2951-2.32930.22436250.210711794X-RAY DIFFRACTION74
2.3293-2.36570.22426520.208912659X-RAY DIFFRACTION79
2.3657-2.40450.22747040.208813186X-RAY DIFFRACTION82
2.4045-2.4460.23287220.200213614X-RAY DIFFRACTION85
2.446-2.49040.22197500.198414201X-RAY DIFFRACTION88
2.4904-2.53830.22847770.191314657X-RAY DIFFRACTION91
2.5383-2.59010.21767680.188514799X-RAY DIFFRACTION92
2.5901-2.64640.21177890.188914822X-RAY DIFFRACTION93
2.6464-2.7080.22027710.177214584X-RAY DIFFRACTION90
2.708-2.77570.20468000.179215033X-RAY DIFFRACTION94
2.7757-2.85070.18198270.174615665X-RAY DIFFRACTION98
2.8507-2.93460.19738370.16415721X-RAY DIFFRACTION98
2.9346-3.02930.18428250.159315763X-RAY DIFFRACTION98
3.0293-3.13750.18338180.155115731X-RAY DIFFRACTION98
3.1375-3.26310.16718370.150915762X-RAY DIFFRACTION98
3.2631-3.41150.17888330.138815793X-RAY DIFFRACTION98
3.4115-3.59120.14268230.131415580X-RAY DIFFRACTION98
3.5912-3.8160.15218080.125315533X-RAY DIFFRACTION96
3.816-4.11040.14047910.124314961X-RAY DIFFRACTION94
4.1104-4.52350.12928460.113415897X-RAY DIFFRACTION99
4.5235-5.17680.13688380.116115745X-RAY DIFFRACTION98
5.1768-6.51740.16798290.147515725X-RAY DIFFRACTION98
6.5174-39.2920.2078140.18515508X-RAY DIFFRACTION96
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)
10.88720.1239-0.29820.4576-0.12580.68640.0863-0.28750.12320.0674-0.04850.0142-0.1080.1237-0.00620.1644-0.06650.0110.2138-0.05160.1321-39.724791.701723.1631
20.97080.2704-0.48550.73510.01421.0579-0.0529-0.1563-0.13630.008-0.03190.03410.1782-0.05620.07530.2028-0.05490.00940.22250.00890.1511-50.141372.921623.8447
31.38890.82410.16950.6323-0.19040.6354-0.22950.2147-0.215-0.1860.1328-0.09930.2491-0.04790.08160.2719-0.07670.03620.1881-0.04820.1844-41.19975.36741.2233
41.20650.3654-0.26340.3086-0.07780.4832-0.0466-0.0141-0.0171-0.07420.01820.01010.03650.02940.03390.1772-0.05460.00470.1849-0.01550.1269-29.178488.49574.8891
52.05060.12190.41271.15710.05772.2604-0.0005-0.1747-0.46370.0494-0.0389-0.02830.13750.19350.04040.13710.00340.02210.29350.04060.2123-6.576780.08598.4291
60.28850.03460.16611.0029-0.03070.6769-0.0127-0.4278-0.17790.2366-0.0443-0.02580.06570.10010.03840.2366-0.02070.01080.52830.08540.20672.153684.610518.7363
71.493-0.87140.24860.80870.39891.0337-0.0063-0.7783-0.26660.2767-0.12630.10740.242-0.0630.10370.2771-0.1032-0.01330.75330.02380.2244-4.47291.095427.2527
81.16590.16080.19560.32420.14230.8022-0.0168-0.64530.24340.1876-0.0576-0.0563-0.0970.2517-0.06320.255-0.1851-0.0270.7053-0.1830.1912-9.1086102.713927.6902
90.43340.26430.12230.43370.14510.16250.1114-0.38560.27550.1592-0.06790.0451-0.1620.2405-0.02120.2224-0.10440.02670.3416-0.09820.2003-19.0269103.118218.7899
100.76080.0465-0.21840.3933-0.08060.8087-0.0486-0.0096-0.14810.0116-0.02390.10640.1245-0.1280.05430.1319-0.02410.01530.1419-0.01730.1799-92.201265.05130.6202
110.6835-0.0462-0.0711.2347-0.28080.92430.042-0.19480.1140.1128-0.02190.0132-0.178-0.1169-0.02320.18760.00760.0170.2096-0.03610.1735-88.391380.306613.4689
121.07950.1946-0.04250.650.14790.9459-0.02690.08410.122-0.05520.02350.0097-0.21970.01670.01270.1731-0.0142-0.01060.1458-0.00030.1952-80.285882.348-9.9843
132.2992-0.11230.67370.7907-0.84871.5393-0.06910.57150.1959-0.0912-0.09860.1508-0.3154-0.47370.13130.23740.0648-0.0550.4652-0.0210.2503-102.2976.267-29.585
141.17690.17360.40080.6453-0.09140.8195-0.09420.45730.1232-0.14350.14920.2435-0.1941-0.55850.20710.29580.1382-0.12290.9311-0.0550.3937-117.435276.0569-30.5465
151.2279-0.3452-0.14160.513-0.03220.03990.02520.2818-0.1251-0.0956-0.05550.2806-0.014-0.35130.05880.19350.0338-0.07950.911-0.15170.4626-123.447267.8859-21.5489
160.75520.20960.08490.28230.03110.2278-0.12760.2853-0.35150.0266-0.12350.31640.3289-0.7013-0.0250.0943-0.27750.01110.5329-0.26290.4379-111.222154.7299-17.684
171.11630.2832-0.66630.5499-0.14791.2451-0.12210.0446-0.125-0.08570.045-0.03610.10660.08480.04080.1605-0.03160.00820.1252-0.02470.1481-56.711361.0858-36.3577
180.90180.6132-0.151.1097-0.10620.6118-0.0615-0.1332-0.11510.0533-0.06450.06950.20170.03140.11270.2421-0.04560.05050.1571-0.02670.216-71.770852.7859-22.7264
190.56290.12150.1081.12140.22271.2701-0.04430.116-0.25550.0510.0094-0.12560.49210.10350.01560.5314-0.01610.10440.2095-0.01720.4392-72.121125.7509-22.175
200.4031-0.12340.4572.2398-0.54560.8346-0.13110.2734-0.057-0.2420.0301-0.32460.2780.20350.09450.6521-0.14590.11050.3449-0.11060.5119-77.48824.9585-39.0774
210.30840.23580.21440.44540.13210.1606-0.12090.3427-0.1607-0.21760.04050.24290.3707-0.28290.03870.4972-0.31340.05730.3578-0.17920.3782-86.032337.7085-41.0421
220.6082-0.0117-0.03610.68090.12071.0122-0.00820.1050.0909-0.11320.0963-0.0569-0.16980.1115-0.08790.2254-0.05730.02330.1478-0.00430.1536-28.8195105.106-26.5403
231.1042-0.2925-0.05870.6531-0.03330.8184-0.02140.24960.0462-0.10920.02140.0725-0.15-0.1452-0.01750.3029-0.0297-0.00920.23140.0370.1706-44.2685102.946-38.8886
241.14710.38680.19741.05750.30591.28540.04620.1930.0934-0.1889-0.01690.2593-0.1183-0.2359-0.0660.20970.0066-0.04260.19070.04020.1995-56.3402103.2308-31.2013
251.14750.44290.15620.72550.16951.11060.0389-0.01980.1274-0.0251-0.0460.1854-0.0983-0.19520.00130.1947-0.0236-0.00370.16690.00390.2029-53.7018101.4372-14.5891
260.48160.24970.15030.83050.62550.56510.0693-0.0780.031-0.0228-0.0272-0.0351-0.0611-0.11-0.05280.2466-0.04180.01810.1555-0.00730.1797-39.4053108.7887-5.8626
271.58510.42910.08361.42910.01971.45570.01390.02710.2445-0.10010.02110.2739-0.2623-0.1893-0.03770.34380.05330.02210.167-0.03070.2967-41.8531132.0197-0.8329
280.60580.0471-0.06880.2634-0.09580.13670.03370.00460.37-0.0650.0564-0.0046-0.3621-0.037-0.03410.5637-0.00480.06630.1762-0.03860.3847-31.7984141.8199-2.9999
290.8350.1492-0.51931.45640.08710.36620.0090.22120.2282-0.4480.1073-0.0596-0.4332-0.07060.0010.5898-0.11020.07740.2028-0.02690.3948-22.7391137.2299-10.3184
300.51050.116-0.03920.96460.05050.0240.0344-0.03940.2156-0.0860.1239-0.2726-0.30480.2522-0.09790.3223-0.11890.06890.2281-0.09140.3135-15.6435123.8398-7.4027
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1CHAIN 'A' AND (RESID -1 THROUGH 148 )
2X-RAY DIFFRACTION2CHAIN 'A' AND (RESID 149 THROUGH 294 )
3X-RAY DIFFRACTION3CHAIN 'A' AND (RESID 295 THROUGH 379 )
4X-RAY DIFFRACTION4CHAIN 'A' AND (RESID 380 THROUGH 473 )
5X-RAY DIFFRACTION5CHAIN 'A' AND (RESID 474 THROUGH 545 )
6X-RAY DIFFRACTION6CHAIN 'A' AND (RESID 546 THROUGH 589 )
7X-RAY DIFFRACTION7CHAIN 'A' AND (RESID 590 THROUGH 637 )
8X-RAY DIFFRACTION8CHAIN 'A' AND (RESID 638 THROUGH 696 )
9X-RAY DIFFRACTION9CHAIN 'A' AND (RESID 697 THROUGH 745 )
10X-RAY DIFFRACTION10CHAIN 'B' AND (RESID -1 THROUGH 148 )
11X-RAY DIFFRACTION11CHAIN 'B' AND (RESID 149 THROUGH 254 )
12X-RAY DIFFRACTION12CHAIN 'B' AND (RESID 255 THROUGH 437 )
13X-RAY DIFFRACTION13CHAIN 'B' AND (RESID 438 THROUGH 520 )
14X-RAY DIFFRACTION14CHAIN 'B' AND (RESID 521 THROUGH 577 )
15X-RAY DIFFRACTION15CHAIN 'B' AND (RESID 578 THROUGH 630 )
16X-RAY DIFFRACTION16CHAIN 'B' AND (RESID 631 THROUGH 745 )
17X-RAY DIFFRACTION17CHAIN 'C' AND (RESID -1 THROUGH 379 )
18X-RAY DIFFRACTION18CHAIN 'C' AND (RESID 380 THROUGH 476 )
19X-RAY DIFFRACTION19CHAIN 'C' AND (RESID 477 THROUGH 589 )
20X-RAY DIFFRACTION20CHAIN 'C' AND (RESID 590 THROUGH 637 )
21X-RAY DIFFRACTION21CHAIN 'C' AND (RESID 638 THROUGH 745 )
22X-RAY DIFFRACTION22CHAIN 'D' AND (RESID -1 THROUGH 167 )
23X-RAY DIFFRACTION23CHAIN 'D' AND (RESID 168 THROUGH 254 )
24X-RAY DIFFRACTION24CHAIN 'D' AND (RESID 255 THROUGH 294 )
25X-RAY DIFFRACTION25CHAIN 'D' AND (RESID 295 THROUGH 381 )
26X-RAY DIFFRACTION26CHAIN 'D' AND (RESID 382 THROUGH 473 )
27X-RAY DIFFRACTION27CHAIN 'D' AND (RESID 474 THROUGH 545 )
28X-RAY DIFFRACTION28CHAIN 'D' AND (RESID 546 THROUGH 589 )
29X-RAY DIFFRACTION29CHAIN 'D' AND (RESID 590 THROUGH 637 )
30X-RAY DIFFRACTION30CHAIN 'D' AND (RESID 638 THROUGH 745 )

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