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- PDB-6c7i: Crystal structure of human phosphodiesterase 2A with 1-(2-chloro-... -

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Basic information

Entry
Database: PDB / ID: 6c7i
TitleCrystal structure of human phosphodiesterase 2A with 1-(2-chloro-5-methoxy-phenyl)-N-isobutyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
ComponentscGMP-dependent 3',5'-cyclic phosphodiesterase
KeywordsHYDROLASE / phosphodiesterase
Function / homology
Function and homology information


regulation of cGMP-mediated signaling / cellular response to 2,3,7,8-tetrachlorodibenzodioxine / cellular response to macrophage colony-stimulating factor stimulus / cellular response to cGMP / negative regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway / positive regulation of vascular permeability / heart valve development / cellular response to granulocyte macrophage colony-stimulating factor stimulus / negative regulation of vascular permeability / establishment of endothelial barrier ...regulation of cGMP-mediated signaling / cellular response to 2,3,7,8-tetrachlorodibenzodioxine / cellular response to macrophage colony-stimulating factor stimulus / cellular response to cGMP / negative regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway / positive regulation of vascular permeability / heart valve development / cellular response to granulocyte macrophage colony-stimulating factor stimulus / negative regulation of vascular permeability / establishment of endothelial barrier / negative regulation of cAMP-mediated signaling / regulation of mitochondrion organization / aorta development / ventricular septum development / cGMP-stimulated cyclic-nucleotide phosphodiesterase activity / 3',5'-cyclic-nucleotide phosphodiesterase / negative regulation of cGMP-mediated signaling / TPR domain binding / cGMP-mediated signaling / cGMP catabolic process / phosphate ion binding / cGMP effects / monocyte differentiation / cGMP binding / 3',5'-cyclic-GMP phosphodiesterase activity / 3',5'-cyclic-AMP phosphodiesterase activity / regulation of cAMP-mediated signaling / cAMP binding / cellular response to cAMP / cellular response to transforming growth factor beta stimulus / adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway / cAMP-mediated signaling / synaptic membrane / positive regulation of inflammatory response / cellular response to mechanical stimulus / cellular response to xenobiotic stimulus / presynaptic membrane / G alpha (s) signalling events / mitochondrial outer membrane / mitochondrial inner membrane / mitochondrial matrix / positive regulation of gene expression / perinuclear region of cytoplasm / Golgi apparatus / negative regulation of transcription by RNA polymerase II / magnesium ion binding / endoplasmic reticulum / protein homodimerization activity / zinc ion binding / identical protein binding / nucleus / plasma membrane / cytoplasm / cytosol
Similarity search - Function
Catalytic domain of cyclic nucleotide phosphodiesterase 4b2b / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain / 3'5'-cyclic nucleotide phosphodiesterase / GAF domain / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain / 3'5'-cyclic nucleotide phosphodiesterase, conserved site / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain superfamily / 3'5'-cyclic nucleotide phosphodiesterase / 3'5'-cyclic nucleotide phosphodiesterase domain signature. / 3'5'-cyclic nucleotide phosphodiesterase domain profile. ...Catalytic domain of cyclic nucleotide phosphodiesterase 4b2b / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain / 3'5'-cyclic nucleotide phosphodiesterase / GAF domain / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain / 3'5'-cyclic nucleotide phosphodiesterase, conserved site / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain superfamily / 3'5'-cyclic nucleotide phosphodiesterase / 3'5'-cyclic nucleotide phosphodiesterase domain signature. / 3'5'-cyclic nucleotide phosphodiesterase domain profile. / Domain present in phytochromes and cGMP-specific phosphodiesterases. / GAF domain / GAF-like domain superfamily / Metal dependent phosphohydrolases with conserved 'HD' motif. / HD/PDEase domain / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
Chem-EP7 / cGMP-dependent 3',5'-cyclic phosphodiesterase
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.713 Å
AuthorsXu, R. / Aertgeerts, K.
CitationJournal: J. Med. Chem. / Year: 2018
Title: Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes.
Authors: Gomez, L. / Xu, R. / Sinko, W. / Selfridge, B. / Vernier, W. / Ly, K. / Truong, R. / Metz, M. / Marrone, T. / Sebring, K. / Yan, Y. / Appleton, B. / Aertgeerts, K. / Massari, M.E. / Breitenbucher, J.G.
History
DepositionJan 22, 2018Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 15, 2018Provider: repository / Type: Initial release
Revision 1.1Aug 29, 2018Group: Data collection / Database references / Category: citation / citation_author
Item: _citation.title / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.2Sep 26, 2018Group: Data collection / Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.3Mar 13, 2024Group: Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _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_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: cGMP-dependent 3',5'-cyclic phosphodiesterase
B: cGMP-dependent 3',5'-cyclic phosphodiesterase
C: cGMP-dependent 3',5'-cyclic phosphodiesterase
D: cGMP-dependent 3',5'-cyclic phosphodiesterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)161,69416
Polymers159,6394
Non-polymers2,05412
Water17,925995
1
A: cGMP-dependent 3',5'-cyclic phosphodiesterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,4234
Polymers39,9101
Non-polymers5143
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: cGMP-dependent 3',5'-cyclic phosphodiesterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,4234
Polymers39,9101
Non-polymers5143
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: cGMP-dependent 3',5'-cyclic phosphodiesterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,4234
Polymers39,9101
Non-polymers5143
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: cGMP-dependent 3',5'-cyclic phosphodiesterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,4234
Polymers39,9101
Non-polymers5143
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)55.902, 72.682, 90.816
Angle α, β, γ (deg.)109.330, 91.130, 91.060
Int Tables number1
Space group name H-MP1

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Components

#1: Protein
cGMP-dependent 3',5'-cyclic phosphodiesterase / Cyclic GMP-stimulated phosphodiesterase / cGSPDE


Mass: 39909.824 Da / Num. of mol.: 4 / Fragment: phosphodiesterase 2A (UNP residues 323-661)
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: PDE2A / Plasmid: pFastbac-HT / Production host: Spodoptera frugiperda (fall armyworm) / Strain (production host): Sf9
References: UniProt: O00408, 3',5'-cyclic-nucleotide phosphodiesterase
#2: Chemical
ChemComp-EP7 / 1-(2-chloro-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide


Mass: 423.895 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C22H22ClN5O2
#3: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn
#4: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 995 / 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: 2.18 Å3/Da / Density % sol: 43.58 % / Mosaicity: 0.714 °
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8.4
Details: 17-19% PEG3350, 0.2 M magnesium chloride, 0.1 M Tris, pH 8.4

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 5.0.1 / Wavelength: 0.97741 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Apr 19, 2016
RadiationMonochromator: Single crystal, cylindrically bent, Si(220) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97741 Å / Relative weight: 1
ReflectionResolution: 1.71→50 Å / Num. obs: 140601 / % possible obs: 97.1 % / Redundancy: 1.9 % / Biso Wilson estimate: 20.31 Å2 / Rmerge(I) obs: 0.043 / Rpim(I) all: 0.043 / Rrim(I) all: 0.061 / Χ2: 0.977 / Net I/σ(I): 11.5
Reflection shell

Diffraction-ID: 1 / Redundancy: 1.9 %

Resolution (Å)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) allΧ2% possible all
1.71-1.770.376138240.7820.3760.5320.95395.6
1.77-1.840.276138920.8540.2760.3911.01495.9
1.84-1.930.193139930.9290.1930.2731.05996.3
1.93-2.030.139139120.9540.1390.1961.04896.6
2.03-2.150.093140720.9790.0930.1321.06596.9
2.15-2.320.066140920.9860.0660.0941.0597.2
2.32-2.550.049140970.9920.0490.0690.9397.6
2.55-2.920.038142260.9950.0380.0530.85698
2.92-3.680.029142130.9960.0290.040.77798.3
3.68-500.027142800.9960.0270.0381.01198.6

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
HKL-2000data scaling
PHASERphasing
PHENIXrefinement
PDB_EXTRACT3.24data extraction
HKL-2000data reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.713→47.395 Å / SU ML: 0.19 / Cross valid method: THROUGHOUT / σ(F): 1.96 / Phase error: 22.27
RfactorNum. reflection% reflection
Rfree0.2143 3507 1.42 %
Rwork0.1713 --
obs0.1719 140580 85.09 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 117.71 Å2 / Biso mean: 28.0838 Å2 / Biso min: 8.73 Å2
Refinement stepCycle: final / Resolution: 1.713→47.395 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11072 0 128 995 12195
Biso mean--22.94 32.87 -
Num. residues----1353
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00711471
X-RAY DIFFRACTIONf_angle_d1.01115489
X-RAY DIFFRACTIONf_chiral_restr0.0391650
X-RAY DIFFRACTIONf_plane_restr0.0052005
X-RAY DIFFRACTIONf_dihedral_angle_d13.834233
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 25

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
1.7126-1.73610.31111310.28478765889677
1.7361-1.76090.24871220.26369360948282
1.7609-1.78720.30411300.25389387951782
1.7872-1.81510.26431540.24219467962182
1.8151-1.84480.25711270.22889349947683
1.8448-1.87670.2811390.22529461960083
1.8767-1.91080.25761230.21699591971483
1.9108-1.94750.25031340.21259398953283
1.9475-1.98730.27261390.219620975984
1.9873-2.03050.2531520.29632978484
2.0305-2.07770.21251350.18239655979084
2.0777-2.12970.20511190.17529684980384
2.1297-2.18730.22321620.16449624978685
2.1873-2.25160.21171390.16089757989685
2.2516-2.32430.21531460.16129827997385
2.3243-2.40740.19751400.16159783992386
2.4074-2.50380.21981510.164299471009886
2.5038-2.61770.21571340.16339804993887
2.6177-2.75570.21651350.1642100811021687
2.7557-2.92830.1971570.1691100241018187
2.9283-3.15440.21931470.1667100151016288
3.1544-3.47170.18751490.1578101101025988
3.4717-3.97390.17951470.149101091025688
3.9739-5.00580.18181440.1428102501039490
5.0058-47.41310.23271510.169106971084893
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)
10.6950.92030.90574.97912.45162.564-0.0293-0.2087-0.19190.2109-0.0040.11210.24770.02750.04680.1402-0.02380.02830.20820.03360.1423-8.5773-16.25553.8529
21.98670.01261.77781.4697-0.76514.98290.1352-0.0554-0.2242-0.0014-0.00720.20410.2107-0.2403-0.16320.1447-0.04830.01970.177-0.0020.2052-12.6305-12.1565-3.8156
37.02292.82383.53992.27621.52273.5540.1116-0.0075-0.47220.05380.09-0.10920.26420.0581-0.22120.10260.02150.01740.08980.01230.12991.5683-12.7674-4.1511
42.69550.223-0.1481.01960.00391.2951-0.00120.04850.0507-0.1092-0.00260.078-0.0435-0.0144-0.00530.1183-0.0059-0.00170.0854-0.01040.1081-1.1001-1.8856-8.7498
53.6224-3.6778-0.07073.8113-0.16031.0515-0.2318-0.13351.32120.16630.0039-0.1942-0.66040.0644-0.19960.41650.0324-0.09280.1632-0.09180.5001-1.792416.8341-3.0485
63.8321-1.92571.92584.393-2.62114.3116-0.1075-0.06820.4295-0.1774-0.01960.2433-0.3389-0.19690.10140.16110.0164-0.04560.1036-0.05190.244-7.8788.794-2.4323
71.6760.3813-0.72231.8090.38311.2379-0.0157-0.7556-0.03120.107-0.0218-0.07890.15280.73510.03290.14680.0067-0.04320.3748-0.00720.151114.0468-0.75959.6916
83.5432-0.60730.83751.22020.27922.5067-0.2367-0.46340.82020.08860.031-0.1018-0.43270.22250.17180.2715-0.0268-0.05310.215-0.04590.25538.371110.0019.1845
97.6291-1.09445.17640.2723-0.83643.4504-0.2206-0.67090.15160.18310.07470.0135-0.2183-0.33290.18690.33980.0464-0.01030.4344-0.13350.2358.90725.31822.6136
102.009-0.78680.17393.1099-1.42163.6373-0.017-0.065-0.1438-0.1475-0.0773-0.18470.4040.29950.07380.19210.06590.03240.1369-0.01760.174126.8245-17.9683-37.3373
112.1646-0.18640.05761.4360.14882.00360.001-0.10720.010.00040.0262-0.0197-0.0022-0.0101-0.03780.1359-0.00260.00060.06380.00640.089417.6633-5.1296-31.3386
123.1844-0.07831.31161.83760.19073.4234-0.0135-0.311-0.08710.23750.0415-0.25540.08460.2094-0.01850.15340.01070.01870.16130.00260.140826.1038-4.2348-21.3712
133.22310.42620.11331.03980.32660.9433-0.02620.09970.1815-0.12020.037-0.0754-0.13260.02590.00470.1991-0.00160.0030.09270.03980.102117.07114.4363-40.2559
145.90120.64340.05290.93790.08010.99690.02270.39740.5206-0.1184-0.00540.1075-0.2601-0.0746-0.0420.2363-0.0019-0.01270.14190.05060.16979.11446.5132-46.8045
154.21111.21953.87160.41260.98983.317-0.04740.3246-0.0532-0.24150.03050.0851-0.15940.10240.04590.33480.00050.0180.30440.05460.1847.3409-0.4267-59.1499
162.9140.6820.15961.58130.25492.79410.0778-0.0159-0.6702-0.1176-0.1082-0.44610.78180.58520.09530.33410.15190.06280.3999-0.00530.396556.8099-49.1439-41.4828
173.1278-1.0215-0.02250.5874-0.94074.02760.13220.0164-0.0984-0.0404-0.3363-0.34590.42551.13420.14090.23280.09980.02530.4140.07270.380459.7621-45.7413-32.2079
182.3531-0.34680.56011.3269-0.45663.29620.08160.1274-0.2609-0.1425-0.0871-0.07010.36850.27180.02240.1790.040.01590.1172-0.03930.177549.1738-44.1963-34.9393
195.51212.35690.32834.55480.01930.45490.03210.07290.038-0.0770.0268-0.5116-0.26410.93310.06190.1871-0.1610.02070.3548-0.02470.237657.0578-33.0899-31.185
204.9235-0.8540.3190.7719-0.27811.64350.0256-0.1119-0.1110.08230.0161-0.0155-0.0055-0.0939-0.05170.1456-0.0225-0.00060.0829-0.01440.136738.9658-39.9736-23.957
215.1336-2.00955.30213.4714-1.43417.9836-0.2697-0.61890.33540.04580.1089-0.3271-0.31460.02260.15020.1647-0.03040.02150.1902-0.04040.184550.7615-33.0223-21.3237
225.2255.00350.16897.2305-1.1160.68930.33510.27020.5074-0.101-0.0178-0.0564-1.0022-0.0646-0.21490.49650.01740.15830.15210.00040.272843.8356-19.4954-35.1619
233.53571.34981.39724.01372.09291.82680.17540.06840.42980.0173-0.0252-0.2242-0.79430.3645-0.00570.3735-0.13040.08010.1532-0.02280.258551.2878-26.4213-35.2293
247.04820.4666-2.07052.2348-0.7983.27230.04860.591-0.2527-0.1416-0.10990.23470.2862-0.8140.11990.2358-0.0304-0.06410.3223-0.07320.188731.2623-40.671-45.494
252.37050.4702-0.13522.4529-0.28563.09960.25450.16280.2622-0.1474-0.20090.1974-0.2992-0.6387-0.08650.27030.0740.02480.2928-0.03140.150433.8405-29.4702-45.5177
268.01724.36635.62912.40842.61054.5557-0.23590.2946-0.1509-0.38230.1905-0.0523-0.3040.05160.06810.33230.07050.04250.3844-0.00330.184834.8249-34.921-58.8697
271.0213-1.4167-0.62742.72252.15733.02910.2859-0.2679-0.6290.1669-0.28230.70230.762-0.72150.32840.4082-0.1901-0.01870.56390.09590.389315.3859-46.10369.0773
281.49620.56350.55841.79960.63832.4090.1799-0.3481-0.08380.0748-0.2360.35010.2434-0.5646-0.02810.2223-0.1352-0.00990.34090.04820.338513.0162-44.0315-0.0952
293.82921.98512.04512.24161.15222.63230.2418-0.0313-0.39660.0822-0.03910.08110.4552-0.1056-0.21350.236-0.0285-0.03840.12940.0430.245126.9777-46.7353-1.3841
301.92890.10990.41432.660.04962.11880.0567-0.2307-0.00870.0382-0.05740.2678-0.0048-0.4326-0.00340.1011-0.04490.00990.23960.01220.164917.459-33.53321.0333
314.39441.25840.62571.26460.28341.3927-0.01030.1509-0.3453-0.06280.0919-0.09020.09140.0919-0.08960.12940.0037-0.01050.0925-0.00040.164333.6277-38.9009-9.5611
327.70154.20996.92814.92234.08548.4699-0.34760.30570.1832-0.24060.12510.2585-0.317-0.11850.22930.12470.01350.02730.170.03570.178821.681-32.7485-13.3513
336.6446-5.4188-0.20034.3270.1728-0.0193-0.05770.17790.54320.09420.0532-0.4083-0.0126-0.01580.02520.22250.02150.01370.30070.01840.232828.7603-17.1618-2.0921
343.7001-2.84612.8665.5338-4.66184.83830.1280.035-0.0542-0.15610.0160.13810.0328-0.0719-0.12020.1033-0.00270.01290.1742-0.02140.117121.184-23.9398-0.5836
358.7102-1.6472-2.242.15661.46212.9792-0.0067-0.4309-0.13770.20750.0632-0.16580.38690.30640.02530.17420.0129-0.0740.2440.05590.169841.8459-36.282511.3676
364.8152-2.11450.88612.48150.17272.39730.1596-0.45610.27-0.00350.0072-0.2505-0.1040.0757-0.15110.1446-0.01070.00740.18140.02640.132937.7657-24.72110.1746
378.9024-3.51895.74951.6565-2.23114.6708-0.1147-0.19180.02810.19120.06460.0211-0.0357-0.2750.06460.2179-0.01030.01160.2725-0.01320.143737.9847-28.487323.8685
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 576 through 611 )A576 - 611
2X-RAY DIFFRACTION2chain 'A' and (resid 612 through 635 )A612 - 635
3X-RAY DIFFRACTION3chain 'A' and (resid 636 through 657 )A636 - 657
4X-RAY DIFFRACTION4chain 'A' and (resid 658 through 768 )A658 - 768
5X-RAY DIFFRACTION5chain 'A' and (resid 769 through 786 )A769 - 786
6X-RAY DIFFRACTION6chain 'A' and (resid 787 through 815 )A787 - 815
7X-RAY DIFFRACTION7chain 'A' and (resid 816 through 840 )A816 - 840
8X-RAY DIFFRACTION8chain 'A' and (resid 841 through 878 )A841 - 878
9X-RAY DIFFRACTION9chain 'A' and (resid 879 through 917 )A879 - 917
10X-RAY DIFFRACTION10chain 'B' and (resid 577 through 635 )B577 - 635
11X-RAY DIFFRACTION11chain 'B' and (resid 636 through 738 )B636 - 738
12X-RAY DIFFRACTION12chain 'B' and (resid 739 through 768 )B739 - 768
13X-RAY DIFFRACTION13chain 'B' and (resid 769 through 840 )B769 - 840
14X-RAY DIFFRACTION14chain 'B' and (resid 841 through 878 )B841 - 878
15X-RAY DIFFRACTION15chain 'B' and (resid 879 through 916 )B879 - 916
16X-RAY DIFFRACTION16chain 'C' and (resid 581 through 611 )C581 - 611
17X-RAY DIFFRACTION17chain 'C' and (resid 612 through 635 )C612 - 635
18X-RAY DIFFRACTION18chain 'C' and (resid 636 through 675 )C636 - 675
19X-RAY DIFFRACTION19chain 'C' and (resid 676 through 695 )C676 - 695
20X-RAY DIFFRACTION20chain 'C' and (resid 696 through 750 )C696 - 750
21X-RAY DIFFRACTION21chain 'C' and (resid 751 through 768 )C751 - 768
22X-RAY DIFFRACTION22chain 'C' and (resid 769 through 786 )C769 - 786
23X-RAY DIFFRACTION23chain 'C' and (resid 787 through 815 )C787 - 815
24X-RAY DIFFRACTION24chain 'C' and (resid 816 through 839 )C816 - 839
25X-RAY DIFFRACTION25chain 'C' and (resid 840 through 878 )C840 - 878
26X-RAY DIFFRACTION26chain 'C' and (resid 879 through 916 )C879 - 916
27X-RAY DIFFRACTION27chain 'D' and (resid 581 through 611 )D581 - 611
28X-RAY DIFFRACTION28chain 'D' and (resid 612 through 635 )D612 - 635
29X-RAY DIFFRACTION29chain 'D' and (resid 636 through 657 )D636 - 657
30X-RAY DIFFRACTION30chain 'D' and (resid 658 through 695 )D658 - 695
31X-RAY DIFFRACTION31chain 'D' and (resid 696 through 750 )D696 - 750
32X-RAY DIFFRACTION32chain 'D' and (resid 751 through 768 )D751 - 768
33X-RAY DIFFRACTION33chain 'D' and (resid 769 through 786 )D769 - 786
34X-RAY DIFFRACTION34chain 'D' and (resid 787 through 815 )D787 - 815
35X-RAY DIFFRACTION35chain 'D' and (resid 816 through 840 )D816 - 840
36X-RAY DIFFRACTION36chain 'D' and (resid 841 through 878 )D841 - 878
37X-RAY DIFFRACTION37chain 'D' and (resid 879 through 917 )D879 - 917

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