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- PDB-4ptg: Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBO... -

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Basic information

Entry
Database: PDB / ID: 4ptg
TitleStructure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b
ComponentsGlycogen synthase kinase-3 beta
Keywordstransferase/transferase inhibitor / Serine/threonine kinase / transferase-transferase inhibitor complex
Function / homology
Function and homology information


regulation of microtubule anchoring at centrosome / negative regulation of glycogen (starch) synthase activity / neuron projection organization / negative regulation of mesenchymal stem cell differentiation / beta-catenin destruction complex disassembly / negative regulation of type B pancreatic cell development / superior temporal gyrus development / positive regulation of protein localization to cilium / negative regulation of glycogen biosynthetic process / negative regulation of dopaminergic neuron differentiation ...regulation of microtubule anchoring at centrosome / negative regulation of glycogen (starch) synthase activity / neuron projection organization / negative regulation of mesenchymal stem cell differentiation / beta-catenin destruction complex disassembly / negative regulation of type B pancreatic cell development / superior temporal gyrus development / positive regulation of protein localization to cilium / negative regulation of glycogen biosynthetic process / negative regulation of dopaminergic neuron differentiation / maintenance of cell polarity / positive regulation of protein localization to centrosome / : / positive regulation of mitochondrial outer membrane permeabilization involved in apoptotic signaling pathway / positive regulation of cilium assembly / negative regulation of protein acetylation / APC truncation mutants have impaired AXIN binding / AXIN missense mutants destabilize the destruction complex / Truncations of AMER1 destabilize the destruction complex / beta-catenin destruction complex / tau-protein kinase / CRMPs in Sema3A signaling / heart valve development / regulation of microtubule-based process / regulation of protein export from nucleus / Beta-catenin phosphorylation cascade / Signaling by GSK3beta mutants / CTNNB1 S33 mutants aren't phosphorylated / CTNNB1 S37 mutants aren't phosphorylated / CTNNB1 S45 mutants aren't phosphorylated / CTNNB1 T41 mutants aren't phosphorylated / Maturation of nucleoprotein / cellular response to interleukin-3 / Wnt signalosome / negative regulation of protein localization to nucleus / negative regulation of TOR signaling / regulation of long-term synaptic potentiation / Disassembly of the destruction complex and recruitment of AXIN to the membrane / Maturation of nucleoprotein / AKT phosphorylates targets in the cytosol / negative regulation of calcineurin-NFAT signaling cascade / positive regulation of cell-matrix adhesion / regulation of axon extension / G protein-coupled dopamine receptor signaling pathway / negative regulation of phosphoprotein phosphatase activity / regulation of dendrite morphogenesis / establishment of cell polarity / regulation of axonogenesis / tau-protein kinase activity / glycogen metabolic process / ER overload response / Constitutive Signaling by AKT1 E17K in Cancer / protein kinase A catalytic subunit binding / dynactin binding / NF-kappaB binding / Regulation of HSF1-mediated heat shock response / epithelial to mesenchymal transition / negative regulation of osteoblast differentiation / canonical Wnt signaling pathway / negative regulation of protein-containing complex assembly / positive regulation of autophagy / regulation of microtubule cytoskeleton organization / regulation of cellular response to heat / cellular response to retinoic acid / extrinsic apoptotic signaling pathway / negative regulation of extrinsic apoptotic signaling pathway via death domain receptors / extrinsic apoptotic signaling pathway in absence of ligand / presynaptic modulation of chemical synaptic transmission / negative regulation of insulin receptor signaling pathway / excitatory postsynaptic potential / positive regulation of protein export from nucleus / positive regulation of GTPase activity / positive regulation of protein ubiquitination / Ubiquitin-dependent degradation of Cyclin D / hippocampus development / positive regulation of cell differentiation / GSK3B and BTRC:CUL1-mediated-degradation of NFE2L2 / peptidyl-threonine phosphorylation / Degradation of GLI2 by the proteasome / GLI3 is processed to GLI3R by the proteasome / positive regulation of protein-containing complex assembly / Degradation of beta-catenin by the destruction complex / negative regulation of canonical Wnt signaling pathway / tau protein binding / B-WICH complex positively regulates rRNA expression / regulation of circadian rhythm / beta-catenin binding / circadian rhythm / positive regulation of protein catabolic process / cellular response to amyloid-beta / Regulation of RUNX2 expression and activity / neuron projection development / positive regulation of neuron apoptotic process / p53 binding / positive regulation of proteasomal ubiquitin-dependent protein catabolic process / presynapse / positive regulation of protein binding / insulin receptor signaling pathway / negative regulation of neuron projection development / kinase activity
Similarity search - Function
Glycogen synthase kinase 3, catalytic domain / 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 ...Glycogen synthase kinase 3, catalytic domain / 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
Chem-2WG / Glycogen synthase kinase-3 beta
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.361 Å
AuthorsLewis, H.A. / Sivaprakasam, P. / Kish, K. / Pokross, M. / Dubowchik, G.M.
CitationJournal: Bioorg.Med.Chem.Lett. / Year: 2015
Title: Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Authors: Sivaprakasam, P. / Han, X. / Civiello, R.L. / Jacutin-Porte, S. / Kish, K. / Pokross, M. / Lewis, H.A. / Ahmed, N. / Szapiel, N. / Newitt, J.A. / Baldwin, E.T. / Xiao, H. / Krause, C.M. / ...Authors: Sivaprakasam, P. / Han, X. / Civiello, R.L. / Jacutin-Porte, S. / Kish, K. / Pokross, M. / Lewis, H.A. / Ahmed, N. / Szapiel, N. / Newitt, J.A. / Baldwin, E.T. / Xiao, H. / Krause, C.M. / Park, H. / Nophsker, M. / Lippy, J.S. / Burton, C.R. / Langley, D.R. / Macor, J.E. / Dubowchik, G.M.
History
DepositionMar 10, 2014Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 8, 2015Provider: repository / Type: Initial release
Revision 1.1Jun 10, 2015Group: Database references
Revision 1.2Feb 28, 2024Group: Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Glycogen synthase kinase-3 beta
B: Glycogen synthase kinase-3 beta
hetero molecules


Theoretical massNumber of molelcules
Total (without water)99,2164
Polymers98,5902
Non-polymers6272
Water3,279182
1
A: Glycogen synthase kinase-3 beta
hetero molecules


Theoretical massNumber of molelcules
Total (without water)49,6082
Polymers49,2951
Non-polymers3131
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
B: Glycogen synthase kinase-3 beta
hetero molecules


Theoretical massNumber of molelcules
Total (without water)49,6082
Polymers49,2951
Non-polymers3131
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)81.197, 83.372, 177.416
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

#1: Protein Glycogen synthase kinase-3 beta / GSK-3 beta / Serine/threonine-protein kinase GSK3B


Mass: 49294.828 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: GSK3B / Production host: Spodoptera frugiperda (fall armyworm)
References: UniProt: P49841, tau-protein kinase, non-specific serine/threonine protein kinase
#2: Chemical ChemComp-2WG / 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide


Mass: 313.311 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C15H15N5O3
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 182 / 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: 3.05 Å3/Da / Density % sol: 59.61 %
Crystal growTemperature: 293 K / Method: vapor diffusion
Details: GSK-3 was mixed with a 10-fold molar excess of compound (1 mM final concentration). Crystals were grown at 20 C by vapor diffusion in the presence of 22% PEG 3350 and 3.0% w/v methanol. ...Details: GSK-3 was mixed with a 10-fold molar excess of compound (1 mM final concentration). Crystals were grown at 20 C by vapor diffusion in the presence of 22% PEG 3350 and 3.0% w/v methanol. Crystals would nucleate within 1-3 days and continued to grow for an addition 5-10 days before harvesting., VAPOR DIFFUSION, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 17-ID / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jul 21, 2011
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.36→94.7809 Å / Num. obs: 49754

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Processing

SoftwareName: PHENIX / Version: (phenix.refine: 1.8.4_1496) / Classification: refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.361→47.803 Å / SU ML: 0.27 / σ(F): 1.35 / Phase error: 22.61 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.211 2521 5.08 %Random
Rwork0.171 ---
obs0.173 49645 98.69 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.361→47.803 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5033 0 46 182 5261
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0075211
X-RAY DIFFRACTIONf_angle_d0.9477127
X-RAY DIFFRACTIONf_dihedral_angle_d11.8481831
X-RAY DIFFRACTIONf_chiral_restr0.037831
X-RAY DIFFRACTIONf_plane_restr0.005911
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.3605-2.40590.34151400.23892557X-RAY DIFFRACTION98
2.4059-2.4550.25271740.21652530X-RAY DIFFRACTION98
2.455-2.50840.26251420.19792559X-RAY DIFFRACTION99
2.5084-2.56680.24431540.19292565X-RAY DIFFRACTION99
2.5668-2.63090.24981370.1882572X-RAY DIFFRACTION98
2.6309-2.70210.25391430.18372585X-RAY DIFFRACTION98
2.7021-2.78160.27981240.17982597X-RAY DIFFRACTION99
2.7816-2.87130.251270.18232605X-RAY DIFFRACTION99
2.8713-2.9740.25321510.19212575X-RAY DIFFRACTION99
2.974-3.0930.23641290.18412622X-RAY DIFFRACTION99
3.093-3.23370.24381370.18812599X-RAY DIFFRACTION99
3.2337-3.40420.21621310.18492632X-RAY DIFFRACTION99
3.4042-3.61740.22021450.18342622X-RAY DIFFRACTION99
3.6174-3.89660.23111340.16362632X-RAY DIFFRACTION99
3.8966-4.28850.16681320.14732663X-RAY DIFFRACTION99
4.2885-4.90850.18741300.13052682X-RAY DIFFRACTION99
4.9085-6.18210.1691270.16282711X-RAY DIFFRACTION99
6.1821-47.81320.17251640.17392816X-RAY DIFFRACTION99
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)
15.51340.96530.19316.0636-0.97733.7689-0.1311-0.0716-0.10180.6770.01440.70830.059-0.16970.18860.5658-0.10130.04930.2668-0.01680.555-7.3282-15.048141.5316
25.50960.5919-0.49462.3178-1.02133.3101-0.11010.4493-0.0054-0.18240.02990.07730.2717-0.14810.07380.4872-0.03350.01440.19530.02620.45690.5829-8.190434.9853
35.63984.3593.21633.60222.07043.13840.0347-0.2292-0.19590.0379-0.1513-0.05260.3333-0.03350.25870.55940.05940.05880.29370.0320.46552.9657-9.506143.5117
43.651.7147-0.86556.33580.73742.089-0.42480.22970.0305-0.41120.04040.5322-0.1806-0.24240.25960.4989-0.00830.05520.34480.0020.38010.7254-5.231236.0916
52.56022.2723-0.03684.0358-0.18424.1256-0.31020.12410.60520.24010.43240.6773-0.62270.1719-0.14240.55090.0553-0.01180.33730.09530.48119.814317.136736.7102
61.3809-0.2127-0.75071.7180.4473.1934-0.0598-0.0319-0.0444-0.149-0.0537-0.05740.2610.20270.13410.45170.04940.03030.29830.02630.345414.21230.406943.5113
72.24450.6388-1.48992.36021.8153.6966-0.0567-0.0603-0.1078-0.17690.0853-0.09380.22740.49-0.02120.49560.06560.01410.4210.05030.341424.9487-0.721234.301
82.8274-1.3245-1.60563.39551.3664.3030.24470.46070.1192-0.3764-0.12010.0198-0.8680.1375-0.21510.5283-0.02340.04180.51210.06010.423127.980510.331228.537
92.24052.64520.36318.889-1.58833.33540.0943-0.532-0.9652-1.0206-1.0406-1.55070.87170.30760.59450.57320.196-0.01661.05510.22060.737840.24331.893334.1503
105.84361.5975-0.56341.43881.32352.30160.3641-0.2720.0212-0.30960.9180.3748-0.087-0.5998-1.29491.2638-0.27780.28341.0614-0.04291.00239.157614.082331.4738
110.93322.23170.89495.84151.5985.01970.28310.0360.514-0.78030.0028-0.6289-1.40881.3461-0.4380.9053-0.185-0.02270.57780.04460.551426.960720.350641.6292
125.20292.19320.46098.59633.16174.0785-0.1495-1.10390.6808-1.04310.3518-0.0404-0.4730.5849-0.01510.4472-0.1325-0.09560.5998-0.01330.489627.868112.208446.0904
131.8773-0.5114-0.97713.18870.70334.58-0.2486-0.36250.10730.52280.1910.1826-0.15690.68440.03470.4643-0.0248-0.0350.36970.03970.401220.89348.430551.3446
143.08181.6081.83485.0374-3.34735.483-0.3062-0.5774-0.24081.3592-0.00950.59270.1976-0.37120.15840.56470.04130.03140.31530.03230.345810.92623.433957.4633
158.12682.848-2.07857.20770.10046.9321-0.5636-0.2097-0.6914-0.447-0.1024-0.79870.93250.23260.6050.78850.17290.0410.36560.04670.364921.195-6.979656.1249
165.6579-0.9704-1.68054.6895-1.31772.3565-0.5765-1.35780.56720.97020.3461-0.1694-0.28450.91420.25290.5215-0.0164-0.10620.72680.11450.313823.77630.417161.1433
178.2884-2.7548-1.46375.1629-0.14538.4704-0.5808-0.8830.98961.26570.52250.0621-0.84340.19330.23650.67610.1385-0.05880.69650.0160.334415.14785.805365.2965
185.3536-1.4854-1.69153.6492-0.10822.8189-0.17680.54860.7295-0.52590.2827-1.29330.37350.3910.13310.4673-0.22470.06780.4984-0.03490.679342.987726.26993.2544
199.45290.4931-0.29474.2124-0.16030.09770.65260.01621.16170.5049-0.14120.1974-0.84790.0106-0.10020.4066-0.07850.07680.541-0.09630.510731.2629.58159.4475
207.4170.17451.52139.338-4.53848.7053-0.0918-1.34270.3350.55290.0911-0.65390.23550.6803-0.25810.30990.08610.04740.69030.01040.47628.774522.670514.4041
216.6768-0.35072.75964.99161.43242.14750.2751-0.83610.4349-0.4768-0.0145-0.5545-0.67750.9144-0.0347-0.0156-0.04260.04470.75150.02840.441535.572622.710510.1669
225.88795.0261-1.56854.2743-1.44812.64890.55850.86460.1674-0.03250.84720.28980.02430.5466-1.03060.29210.06770.08330.7339-0.02760.639139.050511.57498.4178
235.62973.45612.33696.70852.93242.557-0.39510.22510.223-0.58720.5763-0.3467-0.56920.7746-0.28890.3294-0.06150.08880.6157-0.04510.40736.628417.4173.6489
245.27650.46390.19053.2970.35242.46050.3371-0.5320.58630.2909-0.35610.1139-0.14620.00430.05340.3243-0.03810.03550.42480.05050.280531.188321.149110.0353
252.54690.4905-2.08254.74361.6256.7450.28510.44020.61170.1959-0.32710.6560.3153-1.24530.05960.32660.07520.00060.5773-0.02930.55588.389612.08247.2037
261.2105-0.21790.82121.5491-0.17133.82470.0508-0.0109-0.0496-0.2556-0.1956-0.06980.24660.26840.11880.37250.09590.04020.472-0.00250.385824.88754.07821.3951
272.02090.77340.06952.6268-0.43186.6568-0.1347-0.03050.4312-0.0719-0.1796-0.0234-0.6146-0.08180.11580.28570.06670.01830.42860.0460.404720.577613.54162.2093
281.6639-1.05151.21134.314-0.49922.67510.0192-0.09760.0163-0.1766-0.3181-0.5819-0.3190.7212-0.08020.26540.13350.04420.71370.08330.442835.07764.477910.1947
292.0037-1.2321-0.09844.11871.09441.12810.1288-0.34750.4599-0.0849-0.0179-0.72410.55290.66450.01490.38840.2694-0.03590.74720.05650.395635.1058-2.889717.2072
301.85520.61230.54642.8291-0.5174.477-0.1129-0.141-0.17690.4865-0.0878-0.15730.63370.42940.08280.51290.08940.01290.44440.01950.422826.0483-4.72616.7656
311.747-0.38541.63672.802-0.50314.0628-0.12540.1725-0.3911-0.1074-0.13290.15840.5170.04720.1030.36240.04690.03750.3625-0.00780.315718.9533-0.87047.814
321.6538-0.29941.51511.5361-1.47634.9913-0.1856-0.1469-0.19650.6410.12340.12450.1469-0.5210.16890.45110.04750.02190.4586-0.01860.393812.7121-0.167217.4074
332.84810.27470.64682.86260.20475.5386-0.4102-0.4330.08360.37090.00340.66610.1863-0.69780.07080.5351-0.01630.0840.46020.00380.478914.2047-8.367419.21
346.71561.9255-0.89523.9081-0.56182.7838-0.8294-0.8088-0.6176-0.5040.13160.06431.04271.10180.63381.30430.32240.04180.59170.11260.773422.349-17.981815.38
356.0831-2.80180.27783.58140.83690.42580.9935-0.4926-1.61491.5575-0.73090.72681.2469-1.3311-0.03760.9258-0.2931-0.07190.9955-0.09380.63776.8027-10.89698.4357
365.59363.38240.26353.98440.28238.41490.1715-0.2323-1.2795-0.69770.08240.92150.9369-1.3128-0.04270.5248-0.141-0.05870.4855-0.07820.562310.2679-5.83641.2153
373.77390.15370.15081.86541.34584.22350.05310.6724-0.008-0.3981-0.21630.2240.3240.16950.21880.46230.11750.00570.4389-0.03340.351822.2033-0.4153-7.0205
382.93311.06230.4895.4462-3.42892.65550.0981.09310.2382-1.20371.10730.0655-0.3894-1.2615-1.18350.83390.1520.04550.9351-0.01120.397824.12572.8833-20.8184
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 36 through 57 )
2X-RAY DIFFRACTION2chain 'A' and (resid 58 through 103 )
3X-RAY DIFFRACTION3chain 'A' and (resid 104 through 118 )
4X-RAY DIFFRACTION4chain 'A' and (resid 125 through 138 )
5X-RAY DIFFRACTION5chain 'A' and (resid 139 through 154 )
6X-RAY DIFFRACTION6chain 'A' and (resid 155 through 208 )
7X-RAY DIFFRACTION7chain 'A' and (resid 209 through 252 )
8X-RAY DIFFRACTION8chain 'A' and (resid 253 through 273 )
9X-RAY DIFFRACTION9chain 'A' and (resid 274 through 284 )
10X-RAY DIFFRACTION10chain 'A' and (resid 293 through 300 )
11X-RAY DIFFRACTION11chain 'A' and (resid 301 through 310 )
12X-RAY DIFFRACTION12chain 'A' and (resid 311 through 320 )
13X-RAY DIFFRACTION13chain 'A' and (resid 321 through 354 )
14X-RAY DIFFRACTION14chain 'A' and (resid 355 through 363 )
15X-RAY DIFFRACTION15chain 'A' and (resid 364 through 370 )
16X-RAY DIFFRACTION16chain 'A' and (resid 371 through 377 )
17X-RAY DIFFRACTION17chain 'A' and (resid 378 through 382 )
18X-RAY DIFFRACTION18chain 'B' and (resid 37 through 51 )
19X-RAY DIFFRACTION19chain 'B' and (resid 52 through 64 )
20X-RAY DIFFRACTION20chain 'B' and (resid 65 through 74 )
21X-RAY DIFFRACTION21chain 'B' and (resid 75 through 95 )
22X-RAY DIFFRACTION22chain 'B' and (resid 96 through 101 )
23X-RAY DIFFRACTION23chain 'B' and (resid 102 through 119 )
24X-RAY DIFFRACTION24chain 'B' and (resid 124 through 138 )
25X-RAY DIFFRACTION25chain 'B' and (resid 139 through 154 )
26X-RAY DIFFRACTION26chain 'B' and (resid 155 through 183 )
27X-RAY DIFFRACTION27chain 'B' and (resid 184 through 198 )
28X-RAY DIFFRACTION28chain 'B' and (resid 199 through 208 )
29X-RAY DIFFRACTION29chain 'B' and (resid 209 through 218 )
30X-RAY DIFFRACTION30chain 'B' and (resid 219 through 235 )
31X-RAY DIFFRACTION31chain 'B' and (resid 236 through 252 )
32X-RAY DIFFRACTION32chain 'B' and (resid 253 through 261 )
33X-RAY DIFFRACTION33chain 'B' and (resid 262 through 273 )
34X-RAY DIFFRACTION34chain 'B' and (resid 274 through 284 )
35X-RAY DIFFRACTION35chain 'B' and (resid 298 through 304 )
36X-RAY DIFFRACTION36chain 'B' and (resid 305 through 320 )
37X-RAY DIFFRACTION37chain 'B' and (resid 321 through 377 )
38X-RAY DIFFRACTION38chain 'B' and (resid 378 through 385 )

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