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- PDB-6oyt: ASK1 kinase domain in complex with GS-4997 -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 6oyt
TitleASK1 kinase domain in complex with GS-4997
ComponentsMitogen-activated protein kinase kinase kinase 5
KeywordsTransferase/Transferase Inhibitor / ASK1 MAP3K5 / Transferase-Transferase Inhibitor complex
Function / homology
Function and homology information


cellular response to reactive nitrogen species / neuron intrinsic apoptotic signaling pathway in response to oxidative stress / IRE1-TRAF2-ASK1 complex / protein kinase complex / mitogen-activated protein kinase kinase kinase / programmed necrotic cell death / JUN kinase kinase kinase activity / endothelial cell apoptotic process / positive regulation of p38MAPK cascade / intrinsic apoptotic signaling pathway in response to oxidative stress ...cellular response to reactive nitrogen species / neuron intrinsic apoptotic signaling pathway in response to oxidative stress / IRE1-TRAF2-ASK1 complex / protein kinase complex / mitogen-activated protein kinase kinase kinase / programmed necrotic cell death / JUN kinase kinase kinase activity / endothelial cell apoptotic process / positive regulation of p38MAPK cascade / intrinsic apoptotic signaling pathway in response to oxidative stress / positive regulation of cardiac muscle cell apoptotic process / p38MAPK cascade / positive regulation of cysteine-type endopeptidase activity involved in apoptotic process / MAP kinase kinase kinase activity / intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stress / positive regulation of protein kinase activity / positive regulation of myoblast differentiation / stress-activated MAPK cascade / positive regulation of JUN kinase activity / JNK cascade / positive regulation of vascular associated smooth muscle cell proliferation / cellular response to amino acid starvation / response to endoplasmic reticulum stress / response to ischemia / apoptotic signaling pathway / positive regulation of JNK cascade / cellular response to hydrogen peroxide / MAPK cascade / cellular senescence / cellular response to tumor necrosis factor / protein phosphatase binding / Oxidative Stress Induced Senescence / neuron apoptotic process / protein kinase activity / positive regulation of apoptotic process / protein domain specific binding / external side of plasma membrane / protein phosphorylation / innate immune response / protein serine kinase activity / protein serine/threonine kinase activity / protein kinase binding / positive regulation of DNA-templated transcription / magnesium ion binding / protein homodimerization activity / protein-containing complex / ATP binding / identical protein binding / cytoplasm / cytosol
Similarity search - Function
MAP3K, deoxyribohydrolase domain / MAP3K, HisK-N-like globin domain / HisK-N-like globin domain of the ASK signalosome / Deoxyribohydrolase (DRHyd) domain of the ASK signalosome / MAP3K, TRAFs-binding domain / MAP3K, PH domain / MAP3K TRAFs-binding domain / ASK kinase PH domain / Sterile alpha motif/pointed domain superfamily / Transferase(Phosphotransferase) domain 1 ...MAP3K, deoxyribohydrolase domain / MAP3K, HisK-N-like globin domain / HisK-N-like globin domain of the ASK signalosome / Deoxyribohydrolase (DRHyd) domain of the ASK signalosome / MAP3K, TRAFs-binding domain / MAP3K, PH domain / MAP3K TRAFs-binding domain / ASK kinase PH domain / Sterile alpha motif/pointed domain superfamily / Transferase(Phosphotransferase) domain 1 / Transferase(Phosphotransferase); domain 1 / Phosphorylase Kinase; domain 1 / Phosphorylase Kinase; domain 1 / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / Protein kinase domain / Serine/Threonine protein kinases, catalytic domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily / 2-Layer Sandwich / Orthogonal Bundle / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
ACETATE ION / Chem-NJV / Mitogen-activated protein kinase kinase kinase 5
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.824 Å
AuthorsMarcotte, D.J.
CitationJournal: J.Med.Chem. / Year: 2019
Title: Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors.
Authors: Himmelbauer, M.K. / Xin, Z. / Jones, J.H. / Enyedy, I. / King, K. / Marcotte, D.J. / Murugan, P. / Santoro, J.C. / Hesson, T. / Spilker, K. / Johnson, J.L. / Luzzio, M.J. / Gilfillan, R. / de Turiso, F.G.
History
DepositionMay 15, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 27, 2019Provider: repository / Type: Initial release
Revision 1.1Dec 4, 2019Group: Database references / Category: citation / citation_author
Item: _citation.title / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.2Dec 25, 2019Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3Oct 11, 2023Group: Data collection / Database references ...Data collection / Database references / 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_ncs_dom_lim
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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: Mitogen-activated protein kinase kinase kinase 5
B: Mitogen-activated protein kinase kinase kinase 5
C: Mitogen-activated protein kinase kinase kinase 5
D: Mitogen-activated protein kinase kinase kinase 5
hetero molecules


Theoretical massNumber of molelcules
Total (without water)129,12217
Polymers126,8084
Non-polymers2,31313
Water1,42379
1
A: Mitogen-activated protein kinase kinase kinase 5
C: Mitogen-activated protein kinase kinase kinase 5
hetero molecules


Theoretical massNumber of molelcules
Total (without water)64,4136
Polymers63,4042
Non-polymers1,0094
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2260 Å2
ΔGint-9 kcal/mol
Surface area20590 Å2
MethodPISA
2
B: Mitogen-activated protein kinase kinase kinase 5
D: Mitogen-activated protein kinase kinase kinase 5
hetero molecules


Theoretical massNumber of molelcules
Total (without water)64,70911
Polymers63,4042
Non-polymers1,3049
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3030 Å2
ΔGint-11 kcal/mol
Surface area22080 Å2
MethodPISA
Unit cell
Length a, b, c (Å)86.510, 73.590, 95.140
Angle α, β, γ (deg.)90.000, 97.770, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and ((resid 671 through 672 and (name N...
21(chain B and ((resid 671 through 672 and (name N...
31(chain C and (resid 671 through 687 or (resid 688...
41(chain D and ((resid 671 through 672 and (name N...

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
11LEULEUGLUGLU(chain A and ((resid 671 through 672 and (name N...AA671 - 6726 - 7
12METMETLYSLYS(chain A and ((resid 671 through 672 and (name N...AA666 - 9391 - 274
13METMETLYSLYS(chain A and ((resid 671 through 672 and (name N...AA666 - 9391 - 274
14METMETLYSLYS(chain A and ((resid 671 through 672 and (name N...AA666 - 9391 - 274
15METMETLYSLYS(chain A and ((resid 671 through 672 and (name N...AA666 - 9391 - 274
21LEULEUGLUGLU(chain B and ((resid 671 through 672 and (name N...BB671 - 6726 - 7
22LEULEULYSLYS(chain B and ((resid 671 through 672 and (name N...BB670 - 9395 - 274
23LEULEULYSLYS(chain B and ((resid 671 through 672 and (name N...BB670 - 9395 - 274
24LEULEULYSLYS(chain B and ((resid 671 through 672 and (name N...BB670 - 9395 - 274
25LEULEULYSLYS(chain B and ((resid 671 through 672 and (name N...BB670 - 9395 - 274
31LEULEUGLYGLY(chain C and (resid 671 through 687 or (resid 688...CC671 - 6876 - 22
32LYSLYSLYSLYS(chain C and (resid 671 through 687 or (resid 688...CC68823
33LEULEULEULEU(chain C and (resid 671 through 687 or (resid 688...CC671 - 9386 - 273
34LEULEULEULEU(chain C and (resid 671 through 687 or (resid 688...CC671 - 9386 - 273
35LEULEULEULEU(chain C and (resid 671 through 687 or (resid 688...CC671 - 9386 - 273
36LEULEULEULEU(chain C and (resid 671 through 687 or (resid 688...CC671 - 9386 - 273
41LEULEUGLUGLU(chain D and ((resid 671 through 672 and (name N...DD671 - 6726 - 7
42METMETACTACT(chain D and ((resid 671 through 672 and (name N...DD - M666 - 10011
43METMETACTACT(chain D and ((resid 671 through 672 and (name N...DD - M666 - 10011
44METMETACTACT(chain D and ((resid 671 through 672 and (name N...DD - M666 - 10011
45METMETACTACT(chain D and ((resid 671 through 672 and (name N...DD - M666 - 10011

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Components

#1: Protein
Mitogen-activated protein kinase kinase kinase 5 / Apoptosis signal-regulating kinase 1 / ASK-1 / MAPK/ERK kinase kinase 5 / MEKK 5


Mass: 31702.111 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: MAP3K5, ASK1, MAPKKK5, MEKK5 / Production host: Escherichia coli (E. coli)
References: UniProt: Q99683, mitogen-activated protein kinase kinase kinase
#2: Chemical
ChemComp-NJV / 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide / Selonsertib / GS-4997


Mass: 445.492 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C24H24FN7O
#3: Chemical
ChemComp-ACT / ACETATE ION


Mass: 59.044 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: C2H3O2
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 79 / Source method: isolated from a natural source / Formula: H2O

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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: 2.37 Å3/Da / Density % sol: 48.02 %
Crystal growTemperature: 298 K / Method: vapor diffusion, sitting drop
Details: 0.1M Na Acetate pH 5.5, 2% PEG4K and 30% polyacrylic acid.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 1 Å
DetectorType: PSI PILATUS 6M / Detector: PIXEL / Date: Jun 23, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.82→50 Å / Num. obs: 51795 / % possible obs: 92.8 % / Redundancy: 1.8 % / CC1/2: 0.996 / Rmerge(I) obs: 0.104 / Net I/σ(I): 9.4
Reflection shellResolution: 2.82→2.98 Å / Rmerge(I) obs: 0.78 / Num. unique obs: 7763 / CC1/2: 0.572 / % possible all: 86

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Processing

Software
NameVersionClassification
PHENIX1.14_3260refinement
Aimlessdata scaling
PDB_EXTRACT3.25data extraction
MOSFLMdata reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4BF2

4bf2


Resolution: 2.824→47.133 Å / SU ML: 0.39 / Cross valid method: THROUGHOUT / σ(F): 1.37 / Phase error: 30.83 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2896 1397 5 %
Rwork0.2321 26545 -
obs0.2349 27942 97.36 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 191.55 Å2 / Biso mean: 74.0106 Å2 / Biso min: 15.97 Å2
Refinement stepCycle: final / Resolution: 2.824→47.133 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7309 0 168 79 7556
Biso mean--49.07 50.17 -
Num. residues----949
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A2525X-RAY DIFFRACTION6.122TORSIONAL
12B2525X-RAY DIFFRACTION6.122TORSIONAL
13C2525X-RAY DIFFRACTION6.122TORSIONAL
14D2525X-RAY DIFFRACTION6.122TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 10

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.824-2.9250.38451270.34082419254689
2.925-3.04210.36431390.30742642278198
3.0421-3.18050.32061390.2812648278798
3.1805-3.34810.2761410.26582675281698
3.3481-3.55780.27971400.24612647278799
3.5578-3.83240.29811400.22512675281599
3.8324-4.21790.25811420.20412686282899
4.2179-4.82770.23921420.18622703284599
4.8277-6.08030.28081420.21832705284799
6.0803-47.13950.31871450.23182745289098
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)
15.93.0555-1.63812.6182-0.07687.01630.081-0.46950.1018-0.11310.14240.14630.4674-0.9181-0.20930.46890.0879-0.07210.4190.00780.3345-0.3526-23.383116.3951
29.424.28610.86684.72141.69186.95140.13860.5929-0.7419-0.05010.1186-0.4590.4765-0.7069-0.17740.4435-0.0345-0.0370.29130.090.3078-0.7645-20.39615.0799
35.8251-3.73480.01712.0037-2.73241.5919-1.02030.0353-0.5603-2.48570.67591.8279-0.2587-1.12140.1881.10240.3749-0.19421.06240.02950.5156-13.1638-11.62189.3134
45.5240.04361.5323.49850.23143.9901-0.27630.00710.406-0.7154-0.1080.0481-0.9114-0.94740.32370.48660.0342-0.01070.43040.07140.3253-4.9246-13.686813.7839
54.5066-1.94020.62586.70110.86632.2510.0048-0.3230.50120.1716-0.43970.1904-0.6442-0.66410.28520.73730.2483-0.00740.92-0.11060.3996-10.7521-7.284333.3396
65.3078-0.45320.55574.2876-0.02562.31520.3182-0.01910.1608-0.1762-0.03920.6974-0.3545-1.1501-0.09520.65270.3216-0.01470.826-0.040.4947-11.2371-9.136724.9795
75.4609-3.705-1.38378.5533-2.89012.7780.52990.5542-0.05143.7596-0.4872.1519-0.9814-0.35060.44710.70250.08340.47630.8945-0.2030.804-19.8579-9.445816.5524
85.2937-1.51032.10562.81330.24414.87150.314-1.1664-0.4120.11021.03671.0008-0.3103-2.9064-0.84550.54790.2379-0.03171.40780.02250.8765-20.6403-8.408631.9623
96.596-2.63380.42365.5092-1.47884.1380.7514-0.30710.2421.7535-1.73151.07970.40640.66770.11551.101-0.10220.17391.06170.13920.6341-22.8694-11.430841.8783
105.5598-0.7382-4.18558.0907-1.88895.65951.1720.75870.6113-0.3634-0.32730.452-0.4111-0.7528-0.55720.73510.3017-0.0680.9171-0.04840.8271-23.32071.374234.3128
112.5749-1.55581.18635.47620.20956.2403-0.0542-1.096-0.38590.63560.4978-0.070.2525-0.1737-0.46210.3943-0.05280.0050.5770.00960.437513.510323.36336.7359
124.57510.1814-0.66763.1327-0.11985.4028-0.0681-0.90510.99190.57110.0837-0.7004-0.66510.5330.02510.51550.1014-0.14880.5641-0.20810.760420.732332.804633.1089
134.70420.6420.50683.4542-2.32785.46390.05840.6190.2632-0.28140.0949-0.7474-0.06740.408-0.15920.2896-0.0120.07150.3451-0.03030.563423.95925.472915.639
145.40280.1757-0.29620.5027-0.94964.7827-0.7470.0801-0.374-0.2870.5285-0.56080.21241.075-0.13980.6619-0.1846-0.03590.8606-0.11820.967236.407129.159623.4975
155.71390.36632.17984.97980.6463.84930.08151.08990.707-0.49-0.1876-1.1189-0.1041.29660.02780.4838-0.1180.170.8885-0.01781.0136.477924.86539.1933
162.26831.6778-0.61454.34472.45946.0338-0.0259-0.8975-0.26911.11960.17230.03970.8965-0.08090.17850.82980.07140.06450.7937-0.03960.52556.2771-14.83146.6201
177.15360.9576-1.50934.1546-0.96451.3646-0.3929-1.2808-0.75561.5835-0.3164-1.1774-0.8461-0.1302-0.03380.67350.2494-0.07540.8372-0.29920.115912.6967-8.543343.068
184.41240.6326-1.98650.9163-1.09771.5461-1.0198-2.32160.7549-0.3823-0.1476-0.8282-0.53380.80960.05731.12920.1305-0.2820.9512-0.36990.965723.27250.75442.6618
195.178-0.24180.77022.38280.8376.2104-0.36860.02780.45110.08310.2042-0.2939-0.65720.52230.04390.43310.0059-0.02640.2033-0.00490.355717.4774-7.037927.8314
204.7352-1.6216-1.41152.7599-0.15864.3344-0.1779-0.03791.09650.18380.2171-2.2446-0.22861.7868-0.04480.907-0.0851-0.16861.1492-0.06610.922634.1725-4.510231.0552
216.2151-1.5917-0.57233.94290.55077.1585-0.12530.62520.35510.26190.4314-0.465-0.57571.4026-0.08470.4519-0.07950.13040.79980.01020.58929.2933-10.191821.4305
221.06730.13050.39370.46270.46063.63290.5011.3793-1.39750.04030.719-0.5398-0.63292.3333-0.09850.64860.15150.01071.2551-0.02111.262531.531-19.146815.655
234.39620.24430.72823.8897-0.07722.7802-0.41441.55661.6188-1.70280.1994-1.3188-0.6521.7599-0.00630.8013-0.29250.161.1293-0.08580.969131.4686-4.777113.1243
247.17230.9413-2.60051.40320.36985.53980.31841.146-1.32980.46860.0168-0.49730.450.0873-0.07070.60450.1172-0.06420.248-0.0480.42892.519814.55068.0966
253.2286-2.7132-1.42967.81817.62868.9345-0.09410.59320.1568-0.4728-0.5530.606-0.1851-0.15730.59980.3456-0.0260.06860.33290.04720.4138-4.4626.47214.9579
266.4717-0.83080.87395.3772-1.63215.76530.05290.1898-0.4545-1.4824-0.3277-0.04920.91680.0217-0.23830.3562-0.05130.04170.30520.10590.3571-0.302217.92156.8376
273.3974-1.05861.34183.7345-0.18346.2636-0.1091-0.36010.0890.37280.326-0.00070.3548-0.5774-0.19810.2751-0.05480.08520.2957-0.00470.2132-6.041328.802323.695
283.5050.4028-0.70384.8677-1.88666.47790.92620.2578-1.30580.06310.56890.97360.6165-0.9694-0.94560.6463-0.1796-0.01550.47780.07690.5482-13.393226.307414.3673
295.9392-2.00840.55595.1773-2.11282.21190.53910.573-1.3045-0.49880.11240.82661.2914-0.3763-0.27440.4491-0.11380.04220.5322-0.0250.4167-18.781429.052322.5458
307.2181-2.99751.11832.4329-0.3970.35821.8241-0.73450.2069-0.6963-1.39630.4160.3506-1.011-0.4671.007-0.2551-0.15050.9275-0.17910.7417-23.761219.270227.6562
314.3887-3.43162.46233.718-1.73996.0312-0.3785-0.9911-0.27320.12270.83460.5728-0.0964-1.4543-0.42560.422-0.06640.1040.62710.13530.3995-20.657934.819530.5856
329.4689-1.9829-6.33622.9264-2.22189.57420.4889-1.00471.13750.2903-0.0420.0225-0.8125-0.7158-0.2090.4873-0.01010.02650.3401-0.05190.4754-9.770142.960528.5293
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 666 through 692 )A666 - 692
2X-RAY DIFFRACTION2chain 'A' and (resid 693 through 720 )A693 - 720
3X-RAY DIFFRACTION3chain 'A' and (resid 721 through 731 )A721 - 731
4X-RAY DIFFRACTION4chain 'A' and (resid 732 through 758 )A732 - 758
5X-RAY DIFFRACTION5chain 'A' and (resid 759 through 796 )A759 - 796
6X-RAY DIFFRACTION6chain 'A' and (resid 797 through 820 )A797 - 820
7X-RAY DIFFRACTION7chain 'A' and (resid 821 through 859 )A821 - 859
8X-RAY DIFFRACTION8chain 'A' and (resid 860 through 876 )A860 - 876
9X-RAY DIFFRACTION9chain 'A' and (resid 877 through 908 )A877 - 908
10X-RAY DIFFRACTION10chain 'A' and (resid 909 through 939 )A909 - 939
11X-RAY DIFFRACTION11chain 'B' and (resid 670 through 703 )B670 - 703
12X-RAY DIFFRACTION12chain 'B' and (resid 704 through 758 )B704 - 758
13X-RAY DIFFRACTION13chain 'B' and (resid 759 through 820 )B759 - 820
14X-RAY DIFFRACTION14chain 'B' and (resid 821 through 859 )B821 - 859
15X-RAY DIFFRACTION15chain 'B' and (resid 860 through 939 )B860 - 939
16X-RAY DIFFRACTION16chain 'C' and (resid 671 through 684 )C671 - 684
17X-RAY DIFFRACTION17chain 'C' and (resid 685 through 715 )C685 - 715
18X-RAY DIFFRACTION18chain 'C' and (resid 716 through 731 )C716 - 731
19X-RAY DIFFRACTION19chain 'C' and (resid 732 through 820 )C732 - 820
20X-RAY DIFFRACTION20chain 'C' and (resid 821 through 859 )C821 - 859
21X-RAY DIFFRACTION21chain 'C' and (resid 860 through 876 )C860 - 876
22X-RAY DIFFRACTION22chain 'C' and (resid 877 through 908 )C877 - 908
23X-RAY DIFFRACTION23chain 'C' and (resid 909 through 938 )C909 - 938
24X-RAY DIFFRACTION24chain 'D' and (resid 666 through 720 )D666 - 720
25X-RAY DIFFRACTION25chain 'D' and (resid 721 through 746 )D721 - 746
26X-RAY DIFFRACTION26chain 'D' and (resid 747 through 758 )D747 - 758
27X-RAY DIFFRACTION27chain 'D' and (resid 759 through 817 )D759 - 817
28X-RAY DIFFRACTION28chain 'D' and (resid 818 through 845 )D818 - 845
29X-RAY DIFFRACTION29chain 'D' and (resid 846 through 876 )D846 - 876
30X-RAY DIFFRACTION30chain 'D' and (resid 877 through 896 )D877 - 896
31X-RAY DIFFRACTION31chain 'D' and (resid 897 through 928 )D897 - 928
32X-RAY DIFFRACTION32chain 'D' and (resid 929 through 941 )D929 - 941

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