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- PDB-5tza: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A WITH 3-{5-methyl-... -

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Basic information

Entry
Database: PDB / ID: 5tza
TitleCRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A WITH 3-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl-1-[(naphthalene-2-yl)carbonyl]piperidine
ComponentscGMP-dependent 3',5'-cyclic phosphodiesterase
KeywordsHydrolase/Hydrolase Inhibitor / phosphodiesterase / Hydrolase-Hydrolase Inhibitor complex
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 cAMP-mediated signaling / 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 ...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 cAMP-mediated signaling / 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 / regulation of mitochondrion organization / establishment of endothelial barrier / aorta development / cGMP-mediated signaling / ventricular septum development / 3',5'-cGMP-stimulated cyclic-nucleotide phosphodiesterase activity / 3',5'-cyclic-nucleotide phosphodiesterase / negative regulation of cGMP-mediated signaling / TPR domain binding / 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 transforming growth factor beta stimulus / cellular response to cAMP / cAMP-mediated signaling / adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway / synaptic membrane / cellular response to mechanical stimulus / positive regulation of inflammatory response / 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 / cytosol / cytoplasm
Similarity search - Function
Catalytic domain of cyclic nucleotide phosphodiesterase 4b2b / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain / 3'5'-cyclic nucleotide phosphodiesterase / 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. / GAF domain ...Catalytic domain of cyclic nucleotide phosphodiesterase 4b2b / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain / 3'5'-cyclic nucleotide phosphodiesterase / 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. / GAF domain / 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-7OG / cGMP-dependent 3',5'-cyclic phosphodiesterase
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.7 Å
AuthorsXu, R. / Aertgeerts, K.
CitationJournal: J. Med. Chem. / Year: 2017
Title: Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
Authors: Gomez, L. / Massari, M.E. / Vickers, T. / Freestone, G. / Vernier, W. / Ly, K. / Xu, R. / McCarrick, M. / Marrone, T. / Metz, M. / Yan, Y.G. / Yoder, Z.W. / Lemus, R. / Broadbent, N.J. / ...Authors: Gomez, L. / Massari, M.E. / Vickers, T. / Freestone, G. / Vernier, W. / Ly, K. / Xu, R. / McCarrick, M. / Marrone, T. / Metz, M. / Yan, Y.G. / Yoder, Z.W. / Lemus, R. / Broadbent, N.J. / Barido, R. / Warren, N. / Schmelzer, K. / Neul, D. / Lee, D. / Andersen, C.B. / Sebring, K. / Aertgeerts, K. / Zhou, X. / Tabatabaei, A. / Peters, M. / Breitenbucher, J.G.
History
DepositionNov 21, 2016Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 22, 2017Provider: repository / Type: Initial release
Revision 1.1Mar 22, 2017Group: Database references
Revision 1.2Mar 29, 2017Group: Data collection
Revision 1.3Nov 22, 2017Group: Refinement description / Category: software
Revision 1.4Mar 6, 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)162,51716
Polymers160,6724
Non-polymers1,84512
Water21,2941182
1
A: cGMP-dependent 3',5'-cyclic phosphodiesterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,6294
Polymers40,1681
Non-polymers4613
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
B: cGMP-dependent 3',5'-cyclic phosphodiesterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,6294
Polymers40,1681
Non-polymers4613
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
3
C: cGMP-dependent 3',5'-cyclic phosphodiesterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,6294
Polymers40,1681
Non-polymers4613
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
4
D: cGMP-dependent 3',5'-cyclic phosphodiesterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,6294
Polymers40,1681
Non-polymers4613
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)55.799, 73.444, 91.614
Angle α, β, γ (deg.)109.360, 91.170, 91.140
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: 40168.051 Da / Num. of mol.: 4 / Fragment: catalytic domain, UNP residues 323-663
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: PDE2A / Production host: Trichoplusia ni (cabbage looper) / Strain (production host): Hi5
References: UniProt: O00408, 3',5'-cyclic-nucleotide phosphodiesterase
#2: Chemical
ChemComp-7OG / [(3S)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone


Mass: 371.435 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Formula: C22H21N5O
#3: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Formula: Zn
#4: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Formula: Mg
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 1182 / 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: 2.2 Å3/Da / Density % sol: 44.2 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8.4 / Details: 17-19% PEG3350, 0.2M MgCl2, 0.1M 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: Aug 11, 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: 1.38→55.77 Å / Num. obs: 142086 / % possible obs: 61.6 % / Redundancy: 2.6 % / Biso Wilson estimate: 17.04 Å2 / Rmerge(I) obs: 0.044 / Net I/σ(I): 10.8
Reflection shellResolution: 1.38→1.42 Å / Redundancy: 2.1 % / Rmerge(I) obs: 1.056 / % possible all: 3

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Phasing

PhasingMethod: molecular replacement
Phasing MRModel details: Phaser MODE: MR_AUTO
Highest resolutionLowest resolution
Rotation8.06 Å55.77 Å
Translation8.06 Å55.77 Å

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Processing

Software
NameVersionClassification
XSCALEdata scaling
PHASER2.5.5phasing
PHENIXphenix.refine: 1.9_1692refinement
PDB_EXTRACT3.2data extraction
xia2data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.7→55.765 Å / SU ML: 0.16 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 20.99
RfactorNum. reflection% reflection
Rfree0.1965 7160 5.05 %
Rwork0.1646 --
obs0.1662 141759 93.94 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 114.25 Å2 / Biso mean: 23.6972 Å2 / Biso min: 7.32 Å2
Refinement stepCycle: final / Resolution: 1.7→55.765 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11083 0 0 1183 12266
Biso mean---29.03 -
Num. residues----1352
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00711356
X-RAY DIFFRACTIONf_angle_d1.08415330
X-RAY DIFFRACTIONf_chiral_restr0.0451637
X-RAY DIFFRACTIONf_plane_restr0.0061985
X-RAY DIFFRACTIONf_dihedral_angle_d13.4094192
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
1.7-1.71930.26491450.21423012315763
1.7193-1.73960.25341630.21183323348670
1.7396-1.76080.24142000.21083729392978
1.7608-1.78310.26582340.20874441467593
1.7831-1.80650.22542260.20964583480995
1.8065-1.83130.24592350.20144606484195
1.8313-1.85740.25012410.19094570481196
1.8574-1.88520.23422420.19994560480296
1.8852-1.91460.24142470.19534536478396
1.9146-1.9460.21162540.18764572482696
1.946-1.97960.2192500.184607485796
1.9796-2.01560.20982490.17914570481996
2.0156-2.05440.21992500.17434593484396
2.0544-2.09630.21072440.17334598484296
2.0963-2.14190.20292480.16654660490897
2.1419-2.19170.18582200.16324571479196
2.1917-2.24650.19072430.16134682492597
2.2465-2.30720.2052430.16714615485897
2.3072-2.37510.19812740.15844572484697
2.3751-2.45180.19062550.16514648490397
2.4518-2.53940.19332580.16664675493397
2.5394-2.64110.21012460.16894591483797
2.6411-2.76130.19992440.16774659490397
2.7613-2.90690.18942190.17424684490398
2.9069-3.0890.2162540.17384657491198
3.089-3.32750.19192640.15724688495298
3.3275-3.66230.18672710.154651492298
3.6623-4.19210.17423010.13554614491598
4.1921-5.28090.14061890.13264736492598
5.2809-55.79520.1842510.16314596484796
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)
10.92350.50470.30692.04470.65611.4830.0398-0.1362-0.13850.1548-0.06090.05940.0825-0.07960.02480.1186-0.03860.01310.15630.03480.138-7.9803-12.67690.7153
21.19710.08660.13020.82610.01980.7980.02610.0338-0.0412-0.07120.00360.0223-0.01470.0016-0.0360.1154-0.01150.00760.08620.00060.08181.6501-1.9433-7.9264
36.1331-2.85710.60274.2565-0.6381.8292-0.0584-0.10940.94-0.08310.0071-0.1865-0.5710.0689-0.01050.2948-0.0243-0.00070.122-0.03560.21980.527518.5965-2.8262
42.8267-1.23641.87783.8259-2.36463.97310.0002-0.14580.2037-0.10570.01830.207-0.1556-0.2294-0.0460.13020.00190.0130.0916-0.02970.1209-5.611210.6209-2.4506
53.546-0.72770.66461.65980.16541.48720.0136-0.22280.20890.1446-0.008-0.154-0.17320.1455-0.03790.178-0.0438-0.00470.165-0.01010.101412.95947.42379.6128
66.0757-1.5025.46020.5203-0.95194.2106-0.1052-0.36240.07410.1910.0846-0.0394-0.1384-0.10620.02560.3115-0.0090.03620.3877-0.04660.170910.63217.360422.9581
71.7961-0.51520.19282.2306-1.04793.0930.08120.0278-0.2877-0.0851-0.0578-0.12060.32150.2062-0.02040.20530.0636-0.00760.1461-0.05780.211129.1805-16.1224-37.1965
85.2658-3.45382.93553.5826-2.14723.0230.064-0.0101-0.41160.15770.12040.0790.3058-0.0194-0.18430.20150.0082-0.03030.0906-0.01430.168118.2297-12.3846-30.6995
92.03150.6519-0.43822.4408-0.04362.54430.04710.0164-0.0963-0.09040.0214-0.22520.01390.3484-0.06640.13580.0456-0.00080.1218-0.02850.137830.3684-3.2402-36.783
103.6975-0.21840.12872.42680.33062.9534-0.0202-0.21630.20780.27020.00280.296-0.253-0.3201-0.00290.17350.02270.02620.1422-0.00650.120410.68121.5929-26.1285
111.7381-0.26360.46271.84440.04312.10830.1168-0.1693-0.19150.16260.0283-0.06680.16690.2464-0.09220.16620.0183-0.01330.13970.00340.117828.3471-2.4237-21.2263
126.47642.1307-1.30052.1874-0.51921.3319-0.03190.13220.5969-0.02680.19220.0736-0.4552-0.0321-0.20190.29780.01430.02330.11390.00460.170424.279515.8299-37.9261
135.89192.72392.25694.0672.0392.88140.08590.06420.010.00870.0642-0.2412-0.0920.1457-0.12060.13660.02260.02740.08260.01170.10929.45547.141-37.5593
145.8673-0.735-2.53061.5431-0.13852.4510.08610.39-0.0943-0.0686-0.09920.09050.0789-0.24190.03910.16540.0259-0.0550.2577-0.02280.12474.8939-1.5172-44.5958
151.86880.46820.14680.84750.67230.7270.20580.66810.3882-0.1315-0.08270.0871-0.2612-0.2662-0.05840.23760.0713-0.00370.27520.07760.155111.55598.4895-46.8014
166.34371.27424.85510.54540.90012.9747-0.01310.2899-0.0885-0.17220.04540.02-0.00790.067-0.0460.33590.04810.02720.41950.02510.142610.34541.6434-59.2265
171.0560.4226-0.22961.357-0.85871.9824-0.03170.0819-0.4031-0.1925-0.1669-0.4580.34970.57630.08920.18410.09360.03710.2745-0.01140.317256.0408-43.8395-36.1984
185.59242.6838-0.0115.08420.14371.31520.101-0.03310.06490.1198-0.0037-0.6259-0.24240.80140.01380.1593-0.0661-0.010.386-0.0410.253659.1037-31.9808-30.7298
195.5753-1.4379-1.80391.1607-0.62112.56790.0155-0.0743-0.05310.05470.07730.0506-0.067-0.0866-0.10590.1049-0.0115-0.01650.0802-0.0110.106733.0059-36.2808-26.5415
203.05470.44070.3691.28810.33142.08480.0856-0.2517-0.3310.1427-0.0238-0.17560.10340.2355-0.03120.1123-0.0046-0.01650.14750.00410.152249.1922-41.008-20.5606
217.9038-0.47145.88272.65260.31956.5907-0.1228-0.76010.04260.26150.1936-0.2891-0.22720.0758-0.00950.1502-0.0290.01590.3098-0.06620.161652.78-31.7796-20.9104
225.27841.04411.12592.46710.52212.04880.16410.08920.9446-0.07630.0581-0.0479-0.7590.1782-0.13820.3710.00410.11050.1721-0.05360.286145.9848-18.4314-34.7197
233.18311.17611.22493.63840.60182.50050.1734-0.1140.31790.2432-0.0227-0.3794-0.31770.3354-0.13810.1804-0.05210.04630.2188-0.05850.234853.4438-25.2379-34.8566
246.08560.8761-1.95531.8105-0.85222.58430.06540.7088-0.2958-0.238-0.0940.14970.1833-0.59540.13570.2008-0.0107-0.06190.2588-0.06790.158533.3889-39.4286-45.2744
254.42781.4632-0.12582.2824-0.32532.22220.1790.34230.1869-0.1382-0.02370.0954-0.1815-0.3073-0.14880.22120.06490.02480.1942-0.02110.137935.9918-28.1291-45.2686
265.09753.18474.79272.03142.40654.2958-0.12870.14350.046-0.28220.10510.0065-0.16190.0673-0.01220.28060.01250.03290.3414-0.01070.162836.9867-33.7578-58.8433
271.0177-0.0778-0.28451.29290.3621.1097-0.0536-0.2296-0.38010.1802-0.10810.37650.3801-0.16640.17680.3046-0.06520.10510.29910.07430.362917.6658-43.242810.3401
281.69810.6917-0.52081.87931.44462.1455-0.21490.0119-0.47040.1208-0.39620.52720.1253-0.50150.08820.1708-0.07440.08020.1901-0.01210.463214.8169-41.90280.363
293.29470.84781.2191.29541.14591.9011-0.0662-0.1706-0.49930.2637-0.08570.41680.3885-0.13130.01820.1916-0.03370.04810.11860.02830.304528.7502-44.9034-0.7133
300.45450.03010.13022.30650.60111.3906-0.0759-0.1222-0.21010.2235-0.06440.26980.1345-0.23880.12380.1318-0.04060.04660.17250.03870.181121.8012-34.47696.1419
312.2246-0.1337-0.0721.0230.13710.76310.0210.0629-0.1919-0.038-0.01960.11140.0114-0.08060.00360.111-0.0133-0.01130.09810.01590.130530.3212-34.9869-7.3174
324.84542.78523.99963.11672.47363.9404-0.25260.54940.0137-0.31960.17660.2588-0.28360.0090.15250.13950.0020.00170.21820.02230.183323.7089-31.2338-12.9436
337.3005-5.1205-0.20714.79040.21210.10920.09980.17570.3756-0.1174-0.1178-0.2512-0.08650.0126-0.01060.1166-0.0090.00140.12020.01990.134530.8205-15.4327-2.0578
343.4485-2.79412.77285.008-3.98035.17470.0688-0.0227-0.0278-0.051-0.02880.19180.0005-0.0251-0.00990.0708-0.01720.00850.095-0.00620.115723.3341-22.0389-0.3943
352.3203-1.10210.39341.69770.11851.0724-0.0342-0.3333-0.0410.18050.0985-0.09040.03390.1171-0.06130.1533-0.012-0.01980.18750.02950.106341.4741-27.265110.9013
365.4754-1.87475.28540.8348-1.45384.5157-0.0804-0.38230.01210.15960.1122-0.04340.0304-0.0575-0.03890.25690.03850.01220.3659-0.00530.176939.6294-26.160724.17
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 576 through 635 )A576 - 635
2X-RAY DIFFRACTION2chain 'A' and (resid 636 through 768 )A636 - 768
3X-RAY DIFFRACTION3chain 'A' and (resid 769 through 786 )A769 - 786
4X-RAY DIFFRACTION4chain 'A' and (resid 787 through 815 )A787 - 815
5X-RAY DIFFRACTION5chain 'A' and (resid 816 through 878 )A816 - 878
6X-RAY DIFFRACTION6chain 'A' and (resid 879 through 916 )A879 - 916
7X-RAY DIFFRACTION7chain 'B' and (resid 578 through 635 )B578 - 635
8X-RAY DIFFRACTION8chain 'B' and (resid 636 through 657 )B636 - 657
9X-RAY DIFFRACTION9chain 'B' and (resid 658 through 695 )B658 - 695
10X-RAY DIFFRACTION10chain 'B' and (resid 696 through 738 )B696 - 738
11X-RAY DIFFRACTION11chain 'B' and (resid 739 through 768 )B739 - 768
12X-RAY DIFFRACTION12chain 'B' and (resid 769 through 786 )B769 - 786
13X-RAY DIFFRACTION13chain 'B' and (resid 787 through 815 )B787 - 815
14X-RAY DIFFRACTION14chain 'B' and (resid 816 through 840 )B816 - 840
15X-RAY DIFFRACTION15chain 'B' and (resid 841 through 878 )B841 - 878
16X-RAY DIFFRACTION16chain 'B' and (resid 879 through 915 )B879 - 915
17X-RAY DIFFRACTION17chain 'C' and (resid 589 through 675 )C589 - 675
18X-RAY DIFFRACTION18chain 'C' and (resid 676 through 695 )C676 - 695
19X-RAY DIFFRACTION19chain 'C' and (resid 696 through 724 )C696 - 724
20X-RAY DIFFRACTION20chain 'C' and (resid 725 through 750 )C725 - 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 582 through 611 )D582 - 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 674 )D658 - 674
31X-RAY DIFFRACTION31chain 'D' and (resid 675 through 750 )D675 - 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 878 )D816 - 878
36X-RAY DIFFRACTION36chain 'D' and (resid 879 through 916 )D879 - 916

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