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- PDB-9nyz: Crystal structure of DCKA/glutamate-bound GluN1/GluN2A agonist bi... -

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Basic information

Entry
Database: PDB / ID: 9nyz
TitleCrystal structure of DCKA/glutamate-bound GluN1/GluN2A agonist binding domains with UCM-101
Components(Glutamate receptor ionotropic, NMDA ...) x 2
KeywordsMEMBRANE PROTEIN / ligand-gated ion channel allosteric modulation NMDA receptor synaptic protein neurotransmitter receptor
Function / homology
Function and homology information


regulation of response to alcohol / response to ammonium ion / response to environmental enrichment / mesencephalic trigeminal nucleus development / neurotransmitter receptor transport, plasma membrane to endosome / directional locomotion / receptor recycling / auditory behavior / pons maturation / EPHB-mediated forward signaling ...regulation of response to alcohol / response to ammonium ion / response to environmental enrichment / mesencephalic trigeminal nucleus development / neurotransmitter receptor transport, plasma membrane to endosome / directional locomotion / receptor recycling / auditory behavior / pons maturation / EPHB-mediated forward signaling / positive regulation of Schwann cell migration / Assembly and cell surface presentation of NMDA receptors / response to carbohydrate / regulation of cell communication / protein localization to postsynaptic membrane / conditioned taste aversion / cellular response to magnesium ion / sleep / serotonin metabolic process / suckling behavior / positive regulation of mitochondrial calcium ion concentration / olfactory learning / response to hydrogen sulfide / response to other organism / response to methylmercury / dendritic branch / regulation of ARF protein signal transduction / locomotion / cellular response to dsRNA / response to manganese ion / response to glycoside / transmitter-gated monoatomic ion channel activity / cellular response to lipid / dendritic spine organization / regulation of respiratory gaseous exchange / propylene metabolic process / response to glycine / neurotransmitter receptor complex / positive regulation of inhibitory postsynaptic potential / RAF/MAP kinase cascade / regulation of NMDA receptor activity / response to amine / Synaptic adhesion-like molecules / NMDA glutamate receptor activity / regulation of monoatomic cation transmembrane transport / spinal cord development / cellular response to zinc ion / neuromuscular process / NMDA selective glutamate receptor complex / glutamate binding / regulation of axonogenesis / ligand-gated sodium channel activity / startle response / voltage-gated monoatomic cation channel activity / regulation of synapse assembly / calcium ion transmembrane import into cytosol / response to morphine / dopamine metabolic process / positive regulation of reactive oxygen species biosynthetic process / male mating behavior / protein heterotetramerization / regulation of dendrite morphogenesis / glycine binding / glutamate receptor signaling pathway / response to lithium ion / positive regulation of calcium ion transport into cytosol / parallel fiber to Purkinje cell synapse / associative learning / response to light stimulus / hypothalamus development / regulation of neuronal synaptic plasticity / social behavior / regulation of postsynaptic membrane potential / multicellular organismal response to stress / action potential / modulation of excitatory postsynaptic potential / positive regulation of dendritic spine maintenance / monoatomic cation transmembrane transport / positive regulation of protein targeting to membrane / cellular response to glycine / Unblocking of NMDA receptors, glutamate binding and activation / monoatomic cation transport / calcium ion homeostasis / glutamate receptor binding / prepulse inhibition / neurogenesis / phosphatase binding / conditioned place preference / long-term memory / adult locomotory behavior / regulation of long-term neuronal synaptic plasticity / response to fungicide / postsynaptic density, intracellular component / monoatomic cation channel activity / sensory perception of pain / glutamate-gated receptor activity / cellular response to manganese ion / response to amphetamine / positive regulation of synaptic transmission, glutamatergic / glutamate-gated calcium ion channel activity
Similarity search - Function
Glutamate [NMDA] receptor, epsilon subunit, C-terminal / N-methyl D-aspartate receptor 2B3 C-terminus / : / : / Ionotropic glutamate receptor, metazoa / Ligated ion channel L-glutamate- and glycine-binding site / Ligand-gated ion channel / Ionotropic glutamate receptor, L-glutamate and glycine-binding domain / Ligated ion channel L-glutamate- and glycine-binding site / : ...Glutamate [NMDA] receptor, epsilon subunit, C-terminal / N-methyl D-aspartate receptor 2B3 C-terminus / : / : / Ionotropic glutamate receptor, metazoa / Ligated ion channel L-glutamate- and glycine-binding site / Ligand-gated ion channel / Ionotropic glutamate receptor, L-glutamate and glycine-binding domain / Ligated ion channel L-glutamate- and glycine-binding site / : / Ionotropic glutamate receptor / Eukaryotic homologues of bacterial periplasmic substrate binding proteins. / Receptor, ligand binding region / Receptor family ligand binding region / Periplasmic binding protein-like I
Similarity search - Domain/homology
: / 5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID / GLUTAMIC ACID / Glutamate receptor ionotropic, NMDA 1 / Glutamate receptor ionotropic, NMDA 2A
Similarity search - Component
Biological speciesRattus norvegicus (Norway rat)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.71 Å
AuthorsLotti, J.S. / Syrenne, J.T. / Yates-Hansen, C.K. / McClelland, L.J. / Hansen, K.B.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of Neurological Disorders and Stroke (NIH/NINDS)R01NS097536 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)P30GM140963 United States
CitationJournal: J.Gen.Physiol. / Year: 2026
Title: Novel binding mode for negative allosteric NMDA receptor modulators.
Authors: Lotti, J.S. / Syrenne, J.T. / Benton, A.J. / Al-Mousawi, A. / Cornelison, L.E. / Trolinder, C.J. / Yi, F. / Zhang, Z. / Yates-Hansen, C.K. / McClelland, L.J. / Bosco, J. / Rau, A.R. / ...Authors: Lotti, J.S. / Syrenne, J.T. / Benton, A.J. / Al-Mousawi, A. / Cornelison, L.E. / Trolinder, C.J. / Yi, F. / Zhang, Z. / Yates-Hansen, C.K. / McClelland, L.J. / Bosco, J. / Rau, A.R. / Clausen, R.P. / Hansen, K.B.
History
DepositionMar 30, 2025Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 29, 2025Provider: repository / Type: Initial release
Revision 1.1Feb 4, 2026Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Glutamate receptor ionotropic, NMDA 1
B: Glutamate receptor ionotropic, NMDA 2A
hetero molecules


Theoretical massNumber of molelcules
Total (without water)65,9355
Polymers65,1252
Non-polymers8103
Water8,953497
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)54.474, 88.329, 137.273
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2

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Components

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Glutamate receptor ionotropic, NMDA ... , 2 types, 2 molecules AB

#1: Protein Glutamate receptor ionotropic, NMDA 1 / GluN1 / Glutamate [NMDA] receptor subunit zeta-1 / N-methyl-D-aspartate receptor subunit NR1 / NMD-R1


Mass: 33340.031 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Rattus norvegicus (Norway rat) / Gene: Grin1, Nmdar1 / Production host: Escherichia coli (E. coli) / References: UniProt: P35439
#2: Protein Glutamate receptor ionotropic, NMDA 2A / GluN2A / Glutamate [NMDA] receptor subunit epsilon-1 / N-methyl D-aspartate receptor subtype 2A / ...GluN2A / Glutamate [NMDA] receptor subunit epsilon-1 / N-methyl D-aspartate receptor subtype 2A / NMDAR2A / NR2A


Mass: 31785.299 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Rattus norvegicus (Norway rat) / Gene: Grin2a / Production host: Escherichia coli (E. coli) / References: UniProt: Q00959

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Non-polymers , 4 types, 500 molecules

#3: Chemical ChemComp-DK1 / 5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID / DCKA / 5,7-DICHLOROKYNURENIC ACID


Mass: 258.058 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C10H5Cl2NO3 / Feature type: SUBJECT OF INVESTIGATION / Comment: antagonist*YM
#4: Chemical ChemComp-A1B7E / N-(cyclohexylmethyl)-2-[(5-{[(1R)-1-phenylpropyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide


Mass: 404.593 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C20H28N4OS2 / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical ChemComp-GLU / GLUTAMIC ACID


Type: L-peptide linking / Mass: 147.129 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C5H9NO4 / Feature type: SUBJECT OF INVESTIGATION
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 497 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY
Has protein modificationY

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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: 2.54 Å3/Da / Density % sol: 51.49 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / Details: ammonium acetate, PEG 4000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: NSLS-II / Beamline: 17-ID-2 / Wavelength: 0.979338 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Dec 11, 2023
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979338 Å / Relative weight: 1
ReflectionResolution: 1.71→33.28 Å / Num. obs: 71610 / % possible obs: 99.37 % / Redundancy: 6.4 % / Biso Wilson estimate: 28.86 Å2 / CC1/2: 0.997 / Net I/σ(I): 8.14
Reflection shellResolution: 1.71→1.77 Å / Redundancy: 6.6 % / Mean I/σ(I) obs: 0.93 / Num. unique obs: 7030 / CC1/2: 0.376

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Processing

Software
NameVersionClassification
autoPROCdata processing
PHASERphasing
PHENIX1.20.1_4487refinement
Cootmodel building
autoPROCdata reduction
autoPROCdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.71→33.28 Å / SU ML: 0.2221 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 22.414
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2019 1999 2.79 %
Rwork0.1683 69571 -
obs0.1692 71570 99.39 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 38.96 Å2
Refinement stepCycle: LAST / Resolution: 1.71→33.28 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4502 0 53 497 5052
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0124763
X-RAY DIFFRACTIONf_angle_d1.12756457
X-RAY DIFFRACTIONf_chiral_restr0.0656705
X-RAY DIFFRACTIONf_plane_restr0.012835
X-RAY DIFFRACTIONf_dihedral_angle_d6.9578656
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.71-1.760.32511410.30424907X-RAY DIFFRACTION98.65
1.76-1.80.31741400.28814885X-RAY DIFFRACTION99.66
1.8-1.860.32391390.26524866X-RAY DIFFRACTION99.07
1.86-1.920.32261410.26574911X-RAY DIFFRACTION99.12
1.92-1.980.28121420.24414906X-RAY DIFFRACTION99.35
1.98-2.060.28961410.21264931X-RAY DIFFRACTION99.43
2.06-2.160.22571420.18284929X-RAY DIFFRACTION99.33
2.16-2.270.20461420.17684949X-RAY DIFFRACTION99.36
2.27-2.410.21491430.15834956X-RAY DIFFRACTION99.75
2.41-2.60.18761440.16054999X-RAY DIFFRACTION99.67
2.6-2.860.19781430.16554993X-RAY DIFFRACTION99.65
2.86-3.280.19411430.17144998X-RAY DIFFRACTION99.44
3.28-4.130.17971460.14465059X-RAY DIFFRACTION99.39
4.13-33.280.16481520.13765282X-RAY DIFFRACTION99.63
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)
10.30928980763-0.22903203640.1202120921011.147799184890.9479874749981.14691496791-0.3019244889-0.381252264451-0.383623912779-0.0511517973484-0.111015220542-0.4691914239030.1464238822650.60834392634-0.007412789784350.2719931622970.014095209516-0.01382802972760.346186367221-0.01214495697910.4240522816376.73979952459-8.0400098466937.0170538158
20.5736159455550.4533725184360.6236987633010.531793771110.7252735052830.9864991141340.24434978159-0.644255640479-0.592107809280.3409085797160.0376699735534-0.009695279185810.442930817028-0.00679025361146-0.0003798993364910.3262343794720.0067231309883-0.04168103197940.3352043853020.01075434224430.3341437829163.80366710754-21.001679437745.9813522848
31.41947307018-0.120758724224-0.737484690530.287298457553-0.4126533494911.728844197350.09993858638310.115370729684-0.834345769574-0.22892381221-0.2431447114390.1559261413930.796195451599-0.65123249488-0.01702643796770.426848046673-0.0628347503032-0.01018101917590.244388229832-0.0523159449570.3843941928585.04409930095-26.970285504739.4829304881
40.1139332104760.0300583910557-0.1392283415860.1147315511660.08064358057230.294768388932-0.286528948186-0.1268314580240.1296485716180.960234024876-0.3919163906111.281367653220.0439999284367-0.365492550482-0.006350793555920.706108142346-0.001626656757380.1383246121230.454310129715-0.1639106888730.8628728691863.46964905617-6.283773566854.7885147433
50.9525906245050.14013483315-0.01081706526020.575210724303-0.6543167587720.7673468693830.002167520294320.01137466380670.112758014859-0.04524298211760.0144859457297-0.112639604469-0.00258038843854-0.056468746176-0.0002663310894890.2759128762190.00763082752816-0.02079901206960.245560634591-0.02411480963020.3364205115343.8221809051-17.080232687738.2510241089
60.9331004266090.1055219225750.480451185550.657044028882-0.07624990654190.88909894005-0.2348436453940.234748697353-0.02074508486920.02702231145470.0234356293196-0.2611346114850.2537549026070.01538551706950.0001895539171320.311306556272-0.03808290294280.01478211719220.33250857418-0.02865959561870.3505507575167.00914154192-10.675921850334.5419322149
71.22394901914-0.2227138670970.2035479556820.0672977924167-0.2385020761291.59045708936-0.0795251011387-0.1643651787751.051729115150.828607279884-0.0831729077196-0.0387633546064-1.36117496189-0.493438037308-0.004866019383030.9071919493010.193586299496-0.03506677846430.584413108287-0.1188638971720.66479374159-8.700854323638.1157095024844.748206659
81.468145311340.1250103184890.6174822794741.741348646790.6017779131461.81563623662-0.0827619483504-0.143832043410.1780054023270.0292279834718-0.05145985147360.00807409590435-0.173291887044-0.169621919751-7.44848483663E-50.2467562206350.0235787175761-0.02639716247430.196871979003-0.04467077577310.267522248148-5.82880933499-3.7902440497733.8691305521
94.617871048070.1678920077261.845206729940.0416479967154-0.09896365211231.510169212770.1129452515160.611597748801-1.230130784420.00374748591981-0.1091504557360.09531554797440.330438032339-0.5086313433960.0007890936102160.360503835099-0.01323762269030.02330519001290.565951455094-0.08939815844320.452650143633-29.4602048034-21.789600196741.5217414607
101.61335331362-0.302489829242-1.37228411870.4652170518070.2759570392381.167368286230.254401003612-0.05927879604950.2545675815130.01979972765030.2007792197690.0666132056238-0.491167420389-0.294972457380.01315858936650.476863800288-0.01771209789420.03968762942960.595823629505-0.08547268635350.347172149654-27.3999193885-9.3400369926645.4948910552
113.162529344311.10333178653-0.4239139652671.97156470090.303631477293.41088071540.0952012003644-0.676170450113-0.2557708175850.121811950869-0.17193020344-0.0189767881068-0.4291053160870.198963197492-0.002229341354890.374019191797-0.0397969816083-0.01368260191490.5711088252580.008509887717490.313397006536-22.1505792016-15.968340029247.8793475888
120.7186756234070.0806618911373-0.1807623070460.3965080525070.287659075880.825050343134-0.1916770658650.202476603009-0.529924853503-0.231064051580.2836082972630.1837172936510.304689060051-0.1275972117728.06660391279E-50.3807559300960.0141416333518-0.03183828323320.499436680538-0.02322097825250.486268885411-23.0637947465-21.208379742938.9203825137
130.918292885231-0.8756874122660.3342997973211.100642347040.3627776511661.86797793499-0.2315767258960.3099079494360.580677404717-0.4969331695240.03481524731780.230701368366-0.256519313424-0.252871132872-0.0007761065530410.3386852923530.0251101271796-0.04238650236310.240156293352-0.04045120153850.358477903544-5.36136640148-4.1670498658129.6753447119
141.04627218876-0.338186117341-0.3133660089310.485974680750.1980342965051.583075209970.158101982130.3085992221380.2042661759960.1474602539060.0965587492465-0.279651387602-0.3356065687050.161722955491-0.0004085622647130.359982453416-0.03027344161390.0227537122670.308873499868-0.0445331683440.359428565414-0.117869631567-10.140699173621.8617608194
150.18279476903-0.01208827076510.7229483452890.3009185525720.3175172027673.979329607820.0548916862216-0.0564049804539-0.4173071375930.0708885303980.01688648770150.3733909117860.826517230617-0.741502728372-0.07486716065350.2997177146140.00404663889308-0.02870932358790.2354343122540.008292453037310.355811634711-5.33646342302-24.542496425127.0970730451
160.396023850056-0.886841266992-1.150151485424.140185854161.510838593.86695235679-0.7101597573880.34994618222-1.094356628870.06107986339-0.01359918354381.401083706130.762147205543-1.18500502024-0.1355524102610.446229262217-0.0494793732830.06504829830350.466810032128-0.05784521872710.566501128529-8.82274877096-27.51359290737.0179186011
171.29450634089-0.130486157942-0.8390683467770.6470218940810.1113029089542.44338370099-0.0292152960469-0.09573803652620.269056104035-0.333679185814-0.02752913399230.501718349363-0.246325381753-0.464214361044-0.03853073815340.3264829414680.0535631406061-0.09610576007420.343042689887-0.06134862428580.375682304569-29.4219914984-3.797455041777.42544948862
180.0189219136635-0.1110466942510.1419269731181.316713517750.5733126384914.24424660948-0.3457574348080.15696476621-0.0742710343860.108298093243-0.1889170032960.717289893171-0.63138758369-1.46693831713-0.1289597616260.4092472209130.125508058146-0.05145621475460.501408300019-0.06413683230080.452774426465-33.4015979912-1.415661344695.22465375142
191.045776909810.0511941282140.5838067733550.610662122831-0.4769133674790.7558011638230.2560806152030.3435352560750.0586806498394-0.388674367175-0.113814941825-0.680828711281-0.3483985291540.05636146495570.003344340628330.402256297683-0.02261666472210.02624675128440.2838442173680.0241026386180.395560708098-27.7624877698-6.91914744835-10.9784698107
201.072084881570.841076773281-0.1416540926540.686529417379-0.2125188914990.366792065691-0.131467504487-0.1021086528870.155980302433-0.0536532579870.09536223827850.254667218708-0.357461399266-0.43733660475-0.0004173551671270.3874942470380.0700194115488-0.06000038739230.362230083282-0.07305026924990.358571365407-26.52278047950.71128143722914.3318096845
210.554438146773-0.3010262492010.1218069702780.3090148871660.1667996133410.393003071335-0.08682752992050.106709770264-0.350493581411-0.0791511628777-0.0946855122480.230540876579-0.0352888406176-0.112091048492-0.0005620997727860.29282291418-0.00033783969217-0.0133688450540.268019870659-0.02386691997190.267186019694-17.8861205511-10.87616642782.48108550279
221.25430530187-0.1232472782120.2856414947631.031805764960.2500004675911.21290772482-0.050977227565-0.1363901561760.1108694132850.02093495569960.014552710414-0.183363633969-0.0986401800009-0.04489780671929.09934716817E-50.217739223954-0.009461742129190.002214051571750.194881875396-0.02833074544620.229401428854-14.231407457-12.650015763811.6709209658
230.680655484809-0.212592904108-0.01717314837620.4121774478930.3178355742880.3059932026860.268961928491-0.930329458893-0.7268546278330.2890145361230.05782129190930.01382379085460.477160933832-0.1831701709720.007812828732970.4293664163160.0283275244067-0.004272997508270.4963660965770.05895977771110.404388045681-13.2375293628-36.064529587120.1759051158
242.03245711621-0.4807436959160.1444192598280.425762146477-0.4546952218481.194868491620.113098318602-0.11112137578-0.762403387599-0.4081382823620.03323212529810.2300904042990.597727392008-0.07403176664730.02346839785690.427657019944-0.0336862049323-0.03367243444910.2676220899280.01248055487650.347615519367-15.0048888056-38.154232350711.0999738943
250.74000338991-0.706773834132-0.3887326547780.6729543714990.3710407325290.203362124270.09362387901420.1451720517130.145755959839-0.3699685499610.0264350904696-0.165536918306-0.1393444149330.154922490025-7.34192618031E-50.356009677528-0.004408673663420.005177617514830.288732137595-0.02427371357890.278110703038-9.04358063773-28.482796970510.1086188481
260.299615061253-0.0466217308146-0.4855559317321.090401907420.1033403913160.783578908952-0.01225946229520.2858745456330.0931082377616-0.424211273585-0.02888385258560.2903709214910.246571106372-0.368653207742-0.0004536997089010.3551362012-0.0305690259359-0.05598778660.306023611546-0.02168345304970.2944230207-25.1045452839-31.1841886437.75254665912
271.175628375750.657845621787-0.1021947369211.279483346410.1442230520241.07976934841-0.13455699642-0.22562522755-0.1304374410210.2072086385810.1057045616880.5383991895320.370752828725-0.303060088496-0.003429955489390.23614278116-0.0485316009261-0.002987985251740.3099751384140.009280831510640.266522605082-27.2933489302-25.119800440217.4178606745
280.280580370663-0.123131524233-0.03884279725170.273618140215-0.099920233620.2926594718280.0285432516692-0.196590690965-0.4948155473670.413687369112-0.06558716224070.2848536098680.530174808552-0.2532888735290.004258456988260.384852840224-0.01057537330890.0505769690610.4589229440590.03258873392880.338676968362-25.8338654835-30.082161481823.2159342195
291.23473598209-0.7519021356340.08462364448251.144837894980.5951856315981.1003510333-0.0107101143235-0.2755058409460.07637534605570.1548933380980.0673552897009-0.3439590551050.01573227073210.1340477038150.0002075739127570.288591378071-0.044771173032-0.02165070967870.284382900246-0.05477601771180.296906397041-12.9540198163-11.202840167217.6944601061
300.277562688210.4188405148120.1996559147120.881341988164-0.003514157109240.510687204418-0.0214934211366-0.3595170781730.388706276808-0.1085119508460.01354232587180.198556836954-0.2651202085250.1674817277120.0001409168852240.3443307773580.0181510192215-0.03981001814790.341914056258-0.08619440623150.355012950965-16.84894298451.7972275058424.0327319074
310.215689983017-0.5111782127880.3626992419891.63504955672-1.108324069590.756145909277-0.484652759352-1.867694328460.6643054427631.385607753240.3752527467650.0734941298776-0.411644502318-0.5334725921120.01840563191970.4875256286480.118561300223-0.02268096872560.882693909177-0.08538635626420.507166328235-28.6851695871-6.6749110090726.6003444292
322.18754063844-2.17547465796-1.991994566167.564586802457.096918163556.66167382061-0.399117311496-0.534136202913-0.8608211581041.490844992690.3583733428880.7765778641141.6509957894-0.3003004735940.2879417789970.380618864336-0.05309115846950.07118874035690.471483920995-0.009454484134790.394546957887-32.372989323-18.981585396825.0945515155
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11(chain A and resid 3:12)AA3 - 121 - 10
22(chain A and resid 13:29)AA13 - 2911 - 27
33(chain A and resid 30:44)AA30 - 4428 - 42
44(chain A and resid 45:57)AA45 - 5743 - 55
55(chain A and resid 58:74)AA58 - 7456 - 72
66(chain A and resid 75:90)AA75 - 9073 - 88
77(chain A and resid 91:105)AA91 - 10589 - 103
88(chain A and resid 106:146)AA106 - 146104 - 144
99(chain A and resid 147:162)AA147 - 162145 - 160
1010(chain A and resid 163:189)AA163 - 189161 - 187
1111(chain A and resid 190:235)AA190 - 235188 - 233
1212(chain A and resid 236:246)AA236 - 246234 - 244
1313(chain A and resid 247:257)AA247 - 257245 - 255
1414(chain A and resid 258:272)AA258 - 272256 - 270
1515(chain A and resid 273:283)AA273 - 283271 - 281
1616(chain A and resid 284:287)AA284 - 287282 - 285
1717(chain B and resid 6:29)BE6 - 291 - 24
1818(chain B and resid 30:42)BE30 - 4225 - 37
1919(chain B and resid 43:56)BE43 - 5638 - 51
2020(chain B and resid 57:79)BE57 - 7952 - 74
2121(chain B and resid 80:92)BE80 - 9275 - 87
2222(chain B and resid 93:144)BE93 - 14488 - 139
2323(chain B and resid 145:155)BE145 - 155140 - 150
2424(chain B and resid 156:171)BE156 - 171151 - 166
2525(chain B and resid 172:188)BE172 - 188167 - 183
2626(chain B and resid 189:208)BE189 - 208184 - 203
2727(chain B and resid 209:229)BE209 - 229204 - 224
2828(chain B and resid 230:236)BE230 - 236225 - 231
2929(chain B and resid 237:254)BE237 - 254232 - 249
3030(chain B and resid 255:270)BE255 - 270250 - 265
3131(chain B and resid 271:278)BE271 - 278266 - 273
3232(chain B and resid 279:286)BE279 - 286274 - 281

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