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- PDB-5tz3: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX with [... -

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Basic information

Entry
Database: PDB / ID: 5tz3
TitleCRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX with [1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-N-(naphthalene-2-yl)piperidine-3-carboxamide
ComponentscGMP-dependent 3',5'-cyclic phosphodiesterase
KeywordsHydrolase/Hydrolase Inhibitor / phosphodiesterase / Hydrolase-Hydrolase Inhibitor complex
Function / homology
Function and homology information


: / 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 / heart valve development / positive regulation of vascular permeability / cellular response to granulocyte macrophage colony-stimulating factor stimulus / negative regulation of vascular permeability / establishment of endothelial barrier ...: / 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 / heart valve development / positive regulation of vascular permeability / cellular response to granulocyte macrophage colony-stimulating factor stimulus / negative regulation of vascular permeability / establishment of endothelial barrier / regulation of mitochondrion organization / : / 3',5'-cGMP-stimulated cyclic-nucleotide phosphodiesterase activity / aorta development / ventricular septum development / 3',5'-cyclic-nucleotide phosphodiesterase / negative regulation of receptor guanylyl cyclase signaling pathway / cGMP catabolic process / cGMP effects / phosphate ion binding / TPR domain binding / cGMP binding / monocyte differentiation / 3',5'-cyclic-GMP phosphodiesterase activity / 3',5'-cyclic-AMP phosphodiesterase activity / cellular response to transforming growth factor beta stimulus / : / cAMP binding / synaptic membrane / cellular response to cAMP / cellular response to mechanical stimulus / adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway / cellular response to xenobiotic stimulus / positive regulation of inflammatory response / presynaptic membrane / G alpha (s) signalling events / mitochondrial outer membrane / mitochondrial inner membrane / mitochondrial matrix / positive regulation of gene expression / perinuclear region of cytoplasm / magnesium ion binding / endoplasmic reticulum / negative regulation of transcription by RNA polymerase II / Golgi apparatus / 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 / 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 / Metal dependent phosphohydrolases with conserved 'HD' motif. / HD/PDEase domain / GAF-like domain superfamily / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
Chem-7OM / cGMP-dependent 3',5'-cyclic phosphodiesterase
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.72 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)162,57716
Polymers160,6724
Non-polymers1,90512
Water14,268792
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A: cGMP-dependent 3',5'-cyclic phosphodiesterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,6444
Polymers40,1681
Non-polymers4763
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)40,6444
Polymers40,1681
Non-polymers4763
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)40,6444
Polymers40,1681
Non-polymers4763
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)40,6444
Polymers40,1681
Non-polymers4763
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)55.754, 72.727, 90.517
Angle α, β, γ (deg.)109.210, 90.700, 91.190
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-7OM / (3~{R})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{N}-naphthalen-2-yl-piperidine-3-carboxamide


Mass: 386.450 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Formula: C22H22N6O
#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.: 792 / 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: 43.52 %
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: 1.64→68.653 Å / Num. obs: 135819 / % possible obs: 89.9 % / Redundancy: 1.9 % / Biso Wilson estimate: 18.72 Å2 / Rmerge(I) obs: 0.046 / Net I/σ(I): 10.1
Reflection shellResolution: 1.64→1.68 Å / Redundancy: 1.9 % / Rmerge(I) obs: 0.593 / % possible all: 50.3

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Phasing

PhasingMethod: molecular replacement
Phasing MRModel details: Phaser MODE: MR_AUTO
Highest resolutionLowest resolution
Rotation8.12 Å68.65 Å
Translation8.12 Å68.65 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: 1.72→68.653 Å / SU ML: 0.23 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 27.36
RfactorNum. reflection% reflection
Rfree0.2327 6491 4.79 %
Rwork0.1907 --
obs0.1927 135455 94.97 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 110.76 Å2 / Biso mean: 29.443 Å2 / Biso min: 9.01 Å2
Refinement stepCycle: final / Resolution: 1.72→68.653 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11099 0 0 792 11891
Biso mean---31.47 -
Num. residues----1354
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00711371
X-RAY DIFFRACTIONf_angle_d0.99715349
X-RAY DIFFRACTIONf_chiral_restr0.0411639
X-RAY DIFFRACTIONf_plane_restr0.0051988
X-RAY DIFFRACTIONf_dihedral_angle_d13.9454201
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 (%)
1.72-1.73950.40741840.32023196338070
1.7395-1.760.34221490.3163487363678
1.76-1.78150.35732160.31624215443192
1.7815-1.8040.36012440.29734289453395
1.804-1.82780.30752100.29184273448395
1.8278-1.85280.33972400.2724370461095
1.8528-1.87930.31521840.26444302448696
1.8793-1.90730.30592120.26714350456295
1.9073-1.93710.3312080.26134277448595
1.9371-1.96890.32142130.24754383459696
1.9689-2.00290.2721950.23754350454596
2.0029-2.03930.27742200.22354326454696
2.0393-2.07850.27212210.22244366458796
2.0785-2.12090.27322270.20564323455096
2.1209-2.16710.2542280.19744360458897
2.1671-2.21750.20392310.19364384461597
2.2175-2.27290.25772280.19834353458196
2.2729-2.33440.23992420.19454379462197
2.3344-2.40310.24021980.18744359455797
2.4031-2.48060.22762120.18164383459597
2.4806-2.56930.22772010.17994408460997
2.5693-2.67220.23242480.18424427467597
2.6722-2.79380.22931920.17744421461397
2.7938-2.94110.24042080.18394422463098
2.9411-3.12540.2082640.18054384464898
3.1254-3.36670.21712640.16994339460398
3.3667-3.70550.19452050.16564475468097
3.7055-4.24160.18882170.15134429464698
4.2416-5.34360.18942080.154471467998
5.3436-68.70730.1732220.16414463468599
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)
10.811.45010.99725.33491.7452.32880.0274-0.3901-0.27950.2-0.00230.03270.2603-0.0419-0.00250.1328-0.01710.02350.26740.04880.1519-8.9804-16.45252.2759
20.9865-0.0391.14832.1461-0.8994.58080.1845-0.0951-0.1925-0.0179-0.02110.20630.2381-0.2583-0.190.1169-0.05440.00070.16530.02480.1907-13.0928-12.4293-5.3807
38.14233.96794.18713.22152.27594.0550.1728-0.2118-0.56410.01970.034-0.0680.28080.018-0.21310.14730.0203-0.0120.09610.01430.1731.0211-13.0429-5.7225
43.01430.18590.16211.1481-0.08961.47440.0207-0.09150.0159-0.0547-0.00040.023-0.01480.0132-0.02760.0981-0.00060.00740.0763-0.00820.0805-0.7456-2.7997-8.8108
56.49350.86642.88273.65830.74416.1889-0.19330.44720.1797-0.56890.10510.3469-0.2502-0.07370.08240.15510.0123-0.01030.15020.03190.1275-5.60050.8744-17.1678
65.565-5.4545-0.50945.7191-0.17151.2758-0.1518-0.21910.9986-0.14480.0115-0.1384-0.57910.0144-0.06140.34890.0078-0.05280.1381-0.0950.3956-2.525116.5089-4.5233
75.2404-3.1753.25296.2829-4.23136.396-0.0538-0.23370.4179-0.18880.04950.1689-0.1905-0.4298-0.00520.12830.01110.00040.1188-0.06040.2241-8.43558.5523-4.0756
86.10920.2164-0.37412.46390.80521.79040.1173-0.8956-0.14530.1565-0.0576-0.0684-0.04250.66530.00370.17850.009-0.05090.41870.0010.1512.8505-1.14768.869
92.8177-0.46561.06731.63360.11232.492-0.2217-0.53160.71480.19910.0486-0.1808-0.28420.30060.16170.2698-0.0179-0.03430.2789-0.06520.21448.46959.49557.3698
106.5162-1.08183.81130.5816-0.94692.471-0.112-0.42440.06080.27670.0015-0.0921-0.2775-0.01410.0770.39660.07720.00570.637-0.16580.25047.96665.366221.047
112.3102-0.49020.59983.0976-1.15373.85750.0299-0.0325-0.2749-0.1103-0.0699-0.20550.38990.27450.03070.19980.06590.0130.1375-0.0340.211126.1928-18.2658-38.6463
128.4675-3.59454.37744.7145-2.27163.88030.243-0.2681-0.4969-0.01850.0273-0.00210.4325-0.0739-0.27580.2051-0.00760.01610.0868-0.00130.126915.3987-14.4846-32.0977
132.25310.11460.03821.33790.21982.14770.0264-0.12570.04780.0510.0231-0.0579-0.03440.0782-0.05290.15190.01130.01620.07250.00760.106819.76-3.3864-30.0663
143.5350.54270.03271.07740.41660.9143-0.00040.07420.1916-0.09940.0184-0.067-0.1948-0.004-0.00940.21310.0013-0.00190.08630.04440.097816.43574.0227-41.6419
155.69571.4256-0.15120.97120.13081.35130.02880.48520.6224-0.16370.01990.1457-0.3134-0.2328-0.04270.25850.02240.00260.17650.06420.19138.39416.1965-48.2291
169.30521.12475.75390.49380.85553.60940.01190.2802-0.0956-0.12160.05280.0415-0.17210.0228-0.06330.34260.0290.0370.38590.07260.1466.416-0.7523-60.5272
172.1874-0.2455-0.32691.2888-0.24412.82440.05140.0469-0.2272-0.0438-0.0913-0.24930.14620.38570.01490.13610.01070.00020.1358-0.01330.232249.1537-41.9231-32.0567
181.9809-0.4704-0.49911.63190.23032.72010.26070.34110.1824-0.2027-0.1401-0.0329-0.5115-0.5822-0.02490.28680.07070.04440.2566-0.0010.166638.6869-29.9399-42.5941
199.27284.23346.57212.73392.80645.02520.00060.2717-0.0553-0.3495-0.0250.0643-0.1885-0.08490.04020.3480.07080.03510.5001-0.02590.186533.8566-35.4107-60.1995
201.1689-0.13-0.30351.1288-0.24630.7246-0.0517-0.4283-0.42490.34580.00210.37850.2903-0.501700.2924-0.13330.0760.65740.17130.32715.3192-41.536111.2978
211.48120.26890.13151.19660.23841.62770.143-0.3374-0.3650.0412-0.04560.33080.2713-0.48770.00420.1592-0.0717-0.01390.29650.07770.309118.0473-39.9411-1.3299
222.46590.37730.39141.11550.39041.84870.09160.0126-0.3845-0.05890.02070.03740.1318-0.0111-0.11770.12250.009-0.03010.10120.01680.209532.9826-39.2109-10.9816
238.46782.97566.69115.92132.2127.4672-0.20120.26450.0256-0.41450.09120.3673-0.3055-0.22670.11740.10230.01530.00780.19880.02460.205621.1739-33.0649-14.7874
249.1531-6.26340.09455.1697-0.05611.7055-0.07490.09780.72020.02860.0084-0.5065-0.11450.05890.04690.12560.00360.00960.17030.02020.190328.2128-17.4325-3.6596
254.5907-3.42753.51736.2191-4.92585.54580.1069-0.0829-0.0418-0.17060.02430.09720.0829-0.1746-0.1050.08590.00120.0210.19160.00680.135120.7331-24.0082-2.0708
264.8284-1.7346-1.36012.60820.82982.69080.0077-0.5699-0.35180.21160.05230.0520.23610.1372-0.08520.19080.0208-0.05340.32820.08380.206140.6255-36.224310.4634
273.6311-2.1693-0.06222.6220.69272.1240.0526-0.46260.16440.01770.1131-0.23-0.09570.1183-0.15510.1421-0.00810.01060.26590.03790.142937.7812-25.03398.4193
287.7708-2.446.33041.2568-2.02195.15050.0138-0.1224-0.07070.13390.00260.0608-0.0118-0.2955-0.00640.23460.0250.02890.44190.00270.130437.0996-28.228622.2497
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 750 )A658 - 750
5X-RAY DIFFRACTION5chain 'A' and (resid 751 through 768 )A751 - 768
6X-RAY DIFFRACTION6chain 'A' and (resid 769 through 786 )A769 - 786
7X-RAY DIFFRACTION7chain 'A' and (resid 787 through 815 )A787 - 815
8X-RAY DIFFRACTION8chain 'A' and (resid 816 through 839 )A816 - 839
9X-RAY DIFFRACTION9chain 'A' and (resid 840 through 878 )A840 - 878
10X-RAY DIFFRACTION10chain 'A' and (resid 879 through 916 )A879 - 916
11X-RAY DIFFRACTION11chain 'B' and (resid 577 through 635 )B577 - 635
12X-RAY DIFFRACTION12chain 'B' and (resid 636 through 657 )B636 - 657
13X-RAY DIFFRACTION13chain 'B' and (resid 658 through 768 )B658 - 768
14X-RAY DIFFRACTION14chain 'B' and (resid 769 through 840 )B769 - 840
15X-RAY DIFFRACTION15chain 'B' and (resid 841 through 878 )B841 - 878
16X-RAY DIFFRACTION16chain 'B' and (resid 879 through 916 )B879 - 916
17X-RAY DIFFRACTION17chain 'C' and (resid 580 through 768 )C580 - 768
18X-RAY DIFFRACTION18chain 'C' and (resid 769 through 878 )C769 - 878
19X-RAY DIFFRACTION19chain 'C' and (resid 879 through 916 )C879 - 916
20X-RAY DIFFRACTION20chain 'D' and (resid 590 through 611 )D590 - 611
21X-RAY DIFFRACTION21chain 'D' and (resid 612 through 695 )D612 - 695
22X-RAY DIFFRACTION22chain 'D' and (resid 696 through 750 )D696 - 750
23X-RAY DIFFRACTION23chain 'D' and (resid 751 through 768 )D751 - 768
24X-RAY DIFFRACTION24chain 'D' and (resid 769 through 786 )D769 - 786
25X-RAY DIFFRACTION25chain 'D' and (resid 787 through 815 )D787 - 815
26X-RAY DIFFRACTION26chain 'D' and (resid 816 through 839 )D816 - 839
27X-RAY DIFFRACTION27chain 'D' and (resid 840 through 878 )D840 - 878
28X-RAY DIFFRACTION28chain 'D' and (resid 879 through 916 )D879 - 916

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