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- PDB-5u00: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 3... -

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Basic information

Entry
Database: PDB / ID: 5u00
TitleCRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 3,3-difluoro-1-[(4-fluoro-3-iodophenyl)carbonyl]-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}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 / 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 cGMP-mediated signaling / cellular response to 2,3,7,8-tetrachlorodibenzodioxine / cellular response to macrophage colony-stimulating factor stimulus / cellular response to cGMP / 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 / cGMP-mediated signaling / TPR domain binding / cGMP catabolic process / phosphate ion binding / cGMP effects / 3',5'-cyclic-GMP phosphodiesterase activity / monocyte differentiation / cAMP-mediated signaling / cGMP binding / 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 / 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 inner membrane / mitochondrial outer 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 / GAF domain / 3'5'-cyclic nucleotide phosphodiesterase / Domain present in phytochromes and cGMP-specific phosphodiesterases. / 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. ...Catalytic domain of cyclic nucleotide phosphodiesterase 4b2b / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain / GAF domain / 3'5'-cyclic nucleotide phosphodiesterase / Domain present in phytochromes and cGMP-specific phosphodiesterases. / 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 / GAF-like domain superfamily / Metal dependent phosphohydrolases with conserved 'HD' motif. / HD/PDEase domain / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
Chem-7OV / cGMP-dependent 3',5'-cyclic phosphodiesterase
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.41 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 22, 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)163,03616
Polymers160,6724
Non-polymers2,36412
Water18,2311012
1
A: cGMP-dependent 3',5'-cyclic phosphodiesterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,7594
Polymers40,1681
Non-polymers5913
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)40,7594
Polymers40,1681
Non-polymers5913
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)40,7594
Polymers40,1681
Non-polymers5913
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)40,7594
Polymers40,1681
Non-polymers5913
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)55.986, 73.249, 91.206
Angle α, β, γ (deg.)109.380, 90.790, 91.100
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): baculovirus insect cell Hi5
References: UniProt: O00408, 3',5'-cyclic-nucleotide phosphodiesterase
#2: Chemical
ChemComp-7OV / [(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluoro-3-iodophenyl)methanone


Mass: 501.244 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Formula: C18H15F3IN5O
#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 / Water


Mass: 18.015 Da / Num. of mol.: 1012 / 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: 2.22 Å3/Da / Density % sol: 44.52 %
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: 5.0.2 / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Sep 2, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 1.33→65.53 Å / Num. obs: 245605 / % possible obs: 86.3 % / Redundancy: 1.7 % / Biso Wilson estimate: 14.59 Å2 / Rmerge(I) obs: 0.043 / Net I/σ(I): 5.7
Reflection shellResolution: 1.33→1.36 Å / Redundancy: 1.6 % / Rmerge(I) obs: 0.675 / % possible all: 41.7

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Phasing

PhasingMethod: molecular replacement
Phasing MR
Highest resolutionLowest resolution
Rotation8.22 Å65.53 Å
Translation8.22 Å65.53 Å

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Processing

Software
NameVersionClassification
XSCALEdata scaling
PHASER2.6.1phasing
PHENIX(1.10.1-2155_1692: ???)refinement
PDB_EXTRACT3.2data extraction
xia2data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.41→65.526 Å / SU ML: 0.19 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 27.15
RfactorNum. reflection% reflection
Rfree0.2279 12131 4.95 %
Rwork0.1992 --
obs0.2006 245202 93.06 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 73.01 Å2 / Biso mean: 24.789 Å2 / Biso min: 7.13 Å2
Refinement stepCycle: final / Resolution: 1.41→65.526 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11207 0 0 1012 12219
Biso mean---29.86 -
Num. residues----1367
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00511479
X-RAY DIFFRACTIONf_angle_d0.80115507
X-RAY DIFFRACTIONf_chiral_restr0.0681651
X-RAY DIFFRACTIONf_plane_restr0.0052001
X-RAY DIFFRACTIONf_dihedral_angle_d17.244237
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 (%)
1.41-1.4260.40123420.33775710605269
1.426-1.44280.35913690.33487026739584
1.4428-1.46040.35993660.32737544791090
1.4604-1.47890.32283630.3127781814492
1.4789-1.49840.31943840.29147777816193
1.4984-1.51890.3143830.28087789817293
1.5189-1.54060.31273690.28667690805992
1.5406-1.56360.31244110.27027719813092
1.5636-1.5880.30523820.26697690807292
1.588-1.6140.29844280.26747650807892
1.614-1.64190.28274120.25897764817693
1.6419-1.67170.27634380.23717780821894
1.6717-1.70390.27243830.23767914829794
1.7039-1.73870.26584250.23227766819193
1.7387-1.77650.26144130.22217833824694
1.7765-1.81780.26383800.21827954833494
1.8178-1.86330.2573630.22097867823093
1.8633-1.91370.27073480.2217696804493
1.9137-1.970.25034270.21097876830394
1.97-2.03360.21654250.27930835595
2.0336-2.10620.21034450.19747915836095
2.1062-2.19060.22634330.18847910834395
2.1906-2.29030.21824610.1867977843895
2.2903-2.4110.21524000.18667893829395
2.411-2.56210.23524060.18998118852497
2.5621-2.75990.21954410.1848098853997
2.7599-3.03770.21694780.18088018849697
3.0377-3.47720.19034190.17218066848597
3.4772-4.38080.1754290.15738160858998
4.3808-65.59670.19494080.1688160856898
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)
11.10071.09840.98033.07120.91050.98310.0813-0.2707-0.29070.1483-0.0003-0.04570.1388-0.026-0.0570.1496-0.03920.02040.22420.05290.1608-7.1327-15.16863.647
22.5233-0.03551.24941.9935-0.60713.87920.1506-0.1691-0.2138-0.01070.00540.14320.2026-0.2943-0.18590.0928-0.0437-0.00520.11660.03010.1426-11.2412-11.1383-4.0974
35.76822.50873.13942.33071.38243.03080.1582-0.0846-0.3546-0.0301-0.0153-0.0310.2341-0.0821-0.19670.1172-0.00680.00580.06780.02080.12122.9802-11.7438-4.4815
42.21350.06850.20470.85820.01631.25570.0248-0.0292-0.0051-0.0416-0.00060.0550.0122-0.018-0.02210.0826-0.00850.00960.05480.0010.0651.1972-1.4871-7.5323
57.69762.62164.79595.0752.77813.3518-0.15380.39460.1315-0.4360.07550.3122-0.11660.04530.09010.1505-0.0047-0.00140.14470.02330.0983-3.66272.239-15.9358
66.3482-5.2959-0.51924.45950.35230.9643-0.0685-0.0860.8785-0.17160.021-0.1728-0.53790.0594-0.050.2901-0.0046-0.03030.103-0.06020.3187-0.353417.9049-3.2333
73.9417-2.07612.18554.1463-2.81484.89420.0573-0.1040.2422-0.1202-0.02110.2105-0.0784-0.1539-0.02310.0997-0.00180.00290.0741-0.03850.1439-6.5179.9479-2.7411
81.8139-0.586-1.78772.42860.94472.2882-0.0914-0.4678-0.08110.15570.0274-0.10750.15590.51640.03880.1333-0.0031-0.03480.31620.0120.104215.48260.16949.6678
92.8528-0.50040.68341.5457-0.12541.8717-0.1009-0.3960.49660.2043-0.0141-0.1274-0.23180.21370.10660.2283-0.0198-0.01670.2032-0.03960.15429.925311.09859.1062
105.7857-0.79314.52560.4062-0.5093.4851-0.0551-0.48160.13160.21110.024-0.0507-0.0538-0.19570.01350.31640.03170.02030.3972-0.0750.17519.98916.769322.4698
111.3303-0.41780.45262.031-1.14233.22480.05090.0074-0.2224-0.1648-0.0884-0.1170.34620.22860.03340.17780.05170.02430.1217-0.03080.196328.4052-16.9292-37.6146
126.1122-2.85943.3763.6617-1.92763.43310.17390.0206-0.4162-0.0350.04270.00280.30470.0873-0.23920.1652-0.0045-0.01140.0696-0.00050.137817.3947-13.2169-31.0194
131.6058-0.01320.14591.23770.17221.86410.0259-0.1372-0.00330.06770.0119-0.0349-0.04840.0367-0.03270.1120.00530.00670.05680.0120.077621.8154-2.0443-28.9231
146.71572.3696-1.45512.1277-1.38341.6579-0.04550.13530.7081-0.10730.18390.081-0.4895-0.0838-0.14480.2855-0.00990.0120.08540.00780.194423.386715.0203-38.3958
155.18072.24071.67813.48421.29722.88630.09-0.00330.1456-0.0415-0.0353-0.232-0.15230.1433-0.01580.1440.00110.03270.06350.02230.113428.49336.3835-38.1898
167.853-1.1717-5.26511.62380.30934.58650.00190.4474-0.1254-0.0974-0.09940.09740.132-0.13620.10070.17070.0388-0.04450.2407-0.0150.10053.9088-2.4124-44.8962
171.43280.16230.00340.83620.36810.92130.06650.54760.3502-0.1656-0.02220.0943-0.219-0.2352-0.0290.22830.0279-0.00830.23530.07720.157710.50967.6489-47.1977
186.05531.13643.94180.49520.74522.4105-0.240.299-0.0387-0.22730.13390.0241-0.25660.06140.11850.30040.01940.02360.41160.04540.14328.46260.7713-59.5619
192.1530.41030.49523.2068-1.18082.76880.15310.1283-0.7619-0.099-0.3683-0.71410.80730.51330.22510.38330.13220.03850.37290.00380.478758.0715-50.1685-40.1506
201.5533-0.43590.00961.1805-0.94482.21370.06160.03-0.2982-0.1415-0.2318-0.29960.27450.56880.10680.13660.04370.01690.20610.01260.240454.5574-44.1702-34.1256
215.78962.65040.40825.65190.16431.04520.0092-0.05080.1649-0.1747-0.0671-0.4777-0.28330.57280.07160.1578-0.08820.01050.2768-0.00110.197858.5619-32.4616-31.3334
224.2529-0.69080.49881.1411-0.2651.5347-0.0074-0.1954-0.17890.09270.0506-0.0004-0.002-0.0233-0.04780.1018-0.017-0.00130.06210.00260.106940.4102-39.3004-24.0868
238.4189-1.47286.00533.0375-0.99254.3446-0.1382-0.51710.13170.08310.1257-0.3585-0.25010.20570.02640.1358-0.030.02210.2378-0.04610.164252.3624-32.3097-21.5517
242.25680.39460.40372.6842-1.16741.39830.2117-0.0450.7381-0.0328-0.1441-0.5727-0.61870.0939-0.00930.43240.01460.13890.163-0.04260.413749.3777-18.465-34.1313
254.02671.34751.81284.61852.32343.95950.1569-0.14020.29410.0738-0.103-0.1718-0.4330.025-0.00250.1796-0.02480.0570.1027-0.00790.14550.6342-28.0055-36.7054
266.46750.8459-2.88251.8126-1.03973.4031-0.00510.5598-0.4018-0.1101-0.08940.11130.2488-0.67980.10360.1775-0.0107-0.06230.2624-0.0610.145232.741-39.972-45.7957
273.72250.8168-0.00751.9643-0.26642.35030.28220.21130.1929-0.1338-0.14540.1383-0.2142-0.4846-0.12120.26430.07310.01630.2336-0.01870.123835.2691-28.6705-45.815
286.4653.05634.40021.90011.9023.5277-0.08970.14850.0061-0.34850.01890.0459-0.1074-0.02910.0460.31350.03550.02910.35240.00840.153436.0251-34.1452-59.1638
290.85450.16890.08911.41340.41041.29680.0542-0.3423-0.40780.1122-0.06580.37670.2303-0.37720.05160.14-0.05870.0230.25420.07770.290219.1988-40.4232.4964
303.60050.73690.59641.1170.25441.6638-0.00650.0811-0.257-0.06050.04880.02890.05360.0423-0.05320.08350.0031-0.00770.06720.01360.120734.9324-38.1723-9.6081
317.92983.05447.16134.74342.45896.8327-0.17220.53520.0088-0.32960.2140.3471-0.14490.1161-0.01140.13280.0020.01030.19620.02990.172523.0956-32.0361-13.4242
324.1152-5.82240.51968.2696-0.64160.31230.00520.10960.5186-0.0585-0.0307-0.5231-0.0816-0.0471-0.00580.12080.00890.00830.15210.01270.150730.0908-16.1967-2.2949
332.9956-2.78672.74854.7727-3.86115.1630.1079-0.0968-0.0411-0.1179-0.00680.1610.07560.0111-0.03750.0566-0.01350.01440.14330.01150.108722.7104-22.7967-0.7144
342.9821-1.5258-0.03411.81950.33411.00140.0613-0.25970.00040.05850.0338-0.10340.01410.0747-0.08330.13760.0056-0.01240.25010.03380.104540.8924-28.111610.5293
355.115-1.88663.9611.1839-1.29683.5192-0.1064-0.28890.14610.19670.0873-0.0406-0.0772-0.1108-0.01420.22820.04730.01560.42720.00760.141539.0848-27.002723.7042
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 840 )A816 - 840
9X-RAY DIFFRACTION9chain 'A' and (resid 841 through 878 )A841 - 878
10X-RAY DIFFRACTION10chain 'A' and (resid 879 through 916 )A879 - 916
11X-RAY DIFFRACTION11chain 'B' and (resid 578 through 635 )B578 - 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 786 )B769 - 786
15X-RAY DIFFRACTION15chain 'B' and (resid 787 through 815 )B787 - 815
16X-RAY DIFFRACTION16chain 'B' and (resid 816 through 840 )B816 - 840
17X-RAY DIFFRACTION17chain 'B' and (resid 841 through 878 )B841 - 878
18X-RAY DIFFRACTION18chain 'B' and (resid 879 through 916 )B879 - 916
19X-RAY DIFFRACTION19chain 'C' and (resid 578 through 611 )C578 - 611
20X-RAY DIFFRACTION20chain 'C' and (resid 612 through 675 )C612 - 675
21X-RAY DIFFRACTION21chain 'C' and (resid 676 through 695 )C676 - 695
22X-RAY DIFFRACTION22chain 'C' and (resid 696 through 750 )C696 - 750
23X-RAY DIFFRACTION23chain 'C' and (resid 751 through 768 )C751 - 768
24X-RAY DIFFRACTION24chain 'C' and (resid 769 through 792 )C769 - 792
25X-RAY DIFFRACTION25chain 'C' and (resid 793 through 815 )C793 - 815
26X-RAY DIFFRACTION26chain 'C' and (resid 816 through 839 )C816 - 839
27X-RAY DIFFRACTION27chain 'C' and (resid 840 through 878 )C840 - 878
28X-RAY DIFFRACTION28chain 'C' and (resid 879 through 916 )C879 - 916
29X-RAY DIFFRACTION29chain 'D' and (resid 581 through 695 )D581 - 695
30X-RAY DIFFRACTION30chain 'D' and (resid 696 through 750 )D696 - 750
31X-RAY DIFFRACTION31chain 'D' and (resid 751 through 768 )D751 - 768
32X-RAY DIFFRACTION32chain 'D' and (resid 769 through 786 )D769 - 786
33X-RAY DIFFRACTION33chain 'D' and (resid 787 through 815 )D787 - 815
34X-RAY DIFFRACTION34chain 'D' and (resid 816 through 878 )D816 - 878
35X-RAY DIFFRACTION35chain 'D' and (resid 879 through 916 )D879 - 916

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