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- PDB-6fqj: GluA2(flop) G724C ligand binding core dimer bound to ZK200775 at ... -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 6fqj
TitleGluA2(flop) G724C ligand binding core dimer bound to ZK200775 at 2.50 Angstrom resolution
ComponentsGlutamate receptor 2,Glutamate receptor 2
KeywordsMEMBRANE PROTEIN / AMPAR receptor / Ligand binding domain / Competitive antagonist / Cross-linked dimer
Function / homology
Function and homology information


spine synapse / dendritic spine neck / dendritic spine head / cellular response to amine stimulus / Activation of AMPA receptors / perisynaptic space / ligand-gated monoatomic cation channel activity / AMPA glutamate receptor activity / Trafficking of GluR2-containing AMPA receptors / response to lithium ion ...spine synapse / dendritic spine neck / dendritic spine head / cellular response to amine stimulus / Activation of AMPA receptors / perisynaptic space / ligand-gated monoatomic cation channel activity / AMPA glutamate receptor activity / Trafficking of GluR2-containing AMPA receptors / response to lithium ion / kainate selective glutamate receptor activity / AMPA glutamate receptor complex / cellular response to glycine / extracellularly glutamate-gated ion channel activity / ionotropic glutamate receptor complex / immunoglobulin binding / asymmetric synapse / conditioned place preference / regulation of receptor recycling / glutamate receptor binding / Unblocking of NMDA receptors, glutamate binding and activation / positive regulation of synaptic transmission / regulation of synaptic transmission, glutamatergic / response to fungicide / glutamate-gated receptor activity / cytoskeletal protein binding / regulation of long-term synaptic depression / extracellular ligand-gated monoatomic ion channel activity / cellular response to brain-derived neurotrophic factor stimulus / glutamate-gated calcium ion channel activity / presynaptic active zone membrane / somatodendritic compartment / ionotropic glutamate receptor binding / dendrite membrane / ligand-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential / dendrite cytoplasm / ionotropic glutamate receptor signaling pathway / synaptic membrane / SNARE binding / dendritic shaft / transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential / synaptic transmission, glutamatergic / PDZ domain binding / protein tetramerization / establishment of protein localization / postsynaptic density membrane / modulation of chemical synaptic transmission / cerebral cortex development / receptor internalization / Schaffer collateral - CA1 synapse / terminal bouton / synaptic vesicle / synaptic vesicle membrane / presynapse / signaling receptor activity / amyloid-beta binding / growth cone / presynaptic membrane / scaffold protein binding / perikaryon / chemical synaptic transmission / dendritic spine / postsynaptic membrane / neuron projection / postsynaptic density / axon / external side of plasma membrane / neuronal cell body / synapse / dendrite / protein kinase binding / protein-containing complex binding / glutamatergic synapse / cell surface / endoplasmic reticulum / protein-containing complex / identical protein binding / membrane / plasma membrane
Similarity search - Function
Ionotropic glutamate receptor, metazoa / Ligated ion channel L-glutamate- and glycine-binding site / Ionotropic glutamate receptor, L-glutamate and glycine-binding domain / Ligated ion channel L-glutamate- and glycine-binding site / Ligand-gated ion channel / : / Ionotropic glutamate receptor / Eukaryotic homologues of bacterial periplasmic substrate binding proteins. / Receptor, ligand binding region / Receptor family ligand binding region ...Ionotropic glutamate receptor, metazoa / Ligated ion channel L-glutamate- and glycine-binding site / Ionotropic glutamate receptor, L-glutamate and glycine-binding domain / Ligated ion channel L-glutamate- and glycine-binding site / Ligand-gated ion channel / : / Ionotropic glutamate receptor / Eukaryotic homologues of bacterial periplasmic substrate binding proteins. / Receptor, ligand binding region / Receptor family ligand binding region / Periplasmic binding protein-like II / Periplasmic binding protein-like I / D-Maltodextrin-Binding Protein; domain 2 / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
Chem-ZK1 / Glutamate receptor 2
Similarity search - Component
Biological speciesRattus norvegicus (Norway rat)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.50001683981 Å
AuthorsCoombs, I.D. / Soto, D. / Gold, M.G. / Farrant, M.F. / Cull-Candy, S.G.
Funding support United Kingdom, 3items
OrganizationGrant numberCountry
Medical Research Council (United Kingdom)MR/J002976/1 United Kingdom
Medical Research Council (United Kingdom)MR/J012998/1 United Kingdom
Wellcome Trust086185/Z/08/Z United Kingdom
CitationJournal: Nat Commun / Year: 2019
Title: Homomeric GluA2(R) AMPA receptors can conduct when desensitized.
Authors: Coombs, I.D. / Soto, D. / McGee, T.P. / Gold, M.G. / Farrant, M. / Cull-Candy, S.G.
History
DepositionFeb 14, 2018Deposition site: PDBE / Processing site: PDBE
Revision 1.0Mar 13, 2019Provider: repository / Type: Initial release
Revision 1.1Oct 2, 2019Group: Data collection / 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.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Jan 17, 2024Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id
Revision 1.3Nov 13, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Glutamate receptor 2,Glutamate receptor 2
B: Glutamate receptor 2,Glutamate receptor 2
C: Glutamate receptor 2,Glutamate receptor 2
D: Glutamate receptor 2,Glutamate receptor 2
E: Glutamate receptor 2,Glutamate receptor 2
F: Glutamate receptor 2,Glutamate receptor 2
G: Glutamate receptor 2,Glutamate receptor 2
H: Glutamate receptor 2,Glutamate receptor 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)237,87316
Polymers234,5998
Non-polymers3,2748
Water14,862825
1
A: Glutamate receptor 2,Glutamate receptor 2
H: Glutamate receptor 2,Glutamate receptor 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)59,4684
Polymers58,6502
Non-polymers8192
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2010 Å2
ΔGint-14 kcal/mol
Surface area24230 Å2
MethodPISA
2
B: Glutamate receptor 2,Glutamate receptor 2
G: Glutamate receptor 2,Glutamate receptor 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)59,4684
Polymers58,6502
Non-polymers8192
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2170 Å2
ΔGint-15 kcal/mol
Surface area23860 Å2
MethodPISA
3
C: Glutamate receptor 2,Glutamate receptor 2
E: Glutamate receptor 2,Glutamate receptor 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)59,4684
Polymers58,6502
Non-polymers8192
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2140 Å2
ΔGint-15 kcal/mol
Surface area23860 Å2
MethodPISA
4
D: Glutamate receptor 2,Glutamate receptor 2
F: Glutamate receptor 2,Glutamate receptor 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)59,4684
Polymers58,6502
Non-polymers8192
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2380 Å2
ΔGint-15 kcal/mol
Surface area23610 Å2
MethodPISA
Unit cell
Length a, b, c (Å)86.010, 144.290, 199.180
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
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
41
51
61
71
81

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11THRTHRHISHIS(chain 'A' and (resid 5 through 23 or resid 26...AA5 - 235 - 23
12LEULEUALAALA(chain 'A' and (resid 5 through 23 or resid 26...AA26 - 4426 - 44
13HISHISALAALA(chain 'A' and (resid 5 through 23 or resid 26...AA46 - 6346 - 63
14ASPASPALAALA(chain 'A' and (resid 5 through 23 or resid 26...AA65 - 6665 - 66
15THRTHRTHRTHR(chain 'A' and (resid 5 through 23 or resid 26...AA6868
16ILEILEILEILE(chain 'A' and (resid 5 through 23 or resid 26...AA70 - 12170 - 121
17SERSERSERSER(chain 'A' and (resid 5 through 23 or resid 26...AA123 - 128123 - 128
18GLNGLNTHRTHR(chain 'A' and (resid 5 through 23 or resid 26...AA130 - 131130 - 131
19ILEILEPHEPHE(chain 'A' and (resid 5 through 23 or resid 26...AA133 - 147133 - 147
110SERSERSERSER(chain 'A' and (resid 5 through 23 or resid 26...AA150150
111ILEILEMETMET(chain 'A' and (resid 5 through 23 or resid 26...AA152 - 162152 - 162
112SERSERVALVAL(chain 'A' and (resid 5 through 23 or resid 26...AA164 - 171164 - 171
113THRTHRARGARG(chain 'A' and (resid 5 through 23 or resid 26...AA173 - 182173 - 182
114SERSERLYSLYS(chain 'A' and (resid 5 through 23 or resid 26...AA184 - 185184 - 185
115TYRTYRLEULEU(chain 'A' and (resid 5 through 23 or resid 26...AA188 - 192188 - 192
116SERSERARGARG(chain 'A' and (resid 5 through 23 or resid 26...AA194 - 203194 - 203
117PROPROTHRTHR(chain 'A' and (resid 5 through 23 or resid 26...AA205 - 208205 - 208
118LYSLYSSERSER(chain 'A' and (resid 5 through 23 or resid 26...AA210 - 217210 - 217
119GLYGLYGLUGLU(chain 'A' and (resid 5 through 23 or resid 26...AA219 - 243219 - 243
120GLYGLYTYRTYR(chain 'A' and (resid 5 through 23 or resid 26...AA245 - 256245 - 256
121GLYGLYCYSCYS(chain 'A' and (resid 5 through 23 or resid 26...AA259 - 261259 - 261
222THRTHRHISHIS(chain 'B' and (resid 5 through 23 or resid 26...BB5 - 235 - 23
223LEULEUALAALA(chain 'B' and (resid 5 through 23 or resid 26...BB26 - 4426 - 44
224HISHISALAALA(chain 'B' and (resid 5 through 23 or resid 26...BB46 - 6346 - 63
225ASPASPALAALA(chain 'B' and (resid 5 through 23 or resid 26...BB65 - 6665 - 66
226THRTHRTHRTHR(chain 'B' and (resid 5 through 23 or resid 26...BB6868
227ILEILEILEILE(chain 'B' and (resid 5 through 23 or resid 26...BB70 - 12170 - 121
228SERSERSERSER(chain 'B' and (resid 5 through 23 or resid 26...BB123 - 128123 - 128
229GLNGLNTHRTHR(chain 'B' and (resid 5 through 23 or resid 26...BB130 - 131130 - 131
230ILEILEPHEPHE(chain 'B' and (resid 5 through 23 or resid 26...BB133 - 147133 - 147
231SERSERSERSER(chain 'B' and (resid 5 through 23 or resid 26...BB150150
232ILEILEMETMET(chain 'B' and (resid 5 through 23 or resid 26...BB152 - 162152 - 162
233SERSERVALVAL(chain 'B' and (resid 5 through 23 or resid 26...BB164 - 171164 - 171
234THRTHRARGARG(chain 'B' and (resid 5 through 23 or resid 26...BB173 - 182173 - 182
235SERSERLYSLYS(chain 'B' and (resid 5 through 23 or resid 26...BB184 - 185184 - 185
236TYRTYRLEULEU(chain 'B' and (resid 5 through 23 or resid 26...BB188 - 192188 - 192
237SERSERARGARG(chain 'B' and (resid 5 through 23 or resid 26...BB194 - 203194 - 203
238PROPROTHRTHR(chain 'B' and (resid 5 through 23 or resid 26...BB205 - 208205 - 208
239LYSLYSSERSER(chain 'B' and (resid 5 through 23 or resid 26...BB210 - 217210 - 217
240GLYGLYGLUGLU(chain 'B' and (resid 5 through 23 or resid 26...BB219 - 243219 - 243
241GLYGLYTYRTYR(chain 'B' and (resid 5 through 23 or resid 26...BB245 - 256245 - 256
242GLYGLYCYSCYS(chain 'B' and (resid 5 through 23 or resid 26...BB259 - 261259 - 261
343THRTHRHISHIS(chain 'C' and (resid 5 through 23 or resid 26...CC5 - 235 - 23
344LEULEUALAALA(chain 'C' and (resid 5 through 23 or resid 26...CC26 - 4426 - 44
345HISHISALAALA(chain 'C' and (resid 5 through 23 or resid 26...CC46 - 6346 - 63
346ASPASPALAALA(chain 'C' and (resid 5 through 23 or resid 26...CC65 - 6665 - 66
347THRTHRTHRTHR(chain 'C' and (resid 5 through 23 or resid 26...CC6868
348ILEILEILEILE(chain 'C' and (resid 5 through 23 or resid 26...CC70 - 12170 - 121
349SERSERSERSER(chain 'C' and (resid 5 through 23 or resid 26...CC123 - 128123 - 128
350GLNGLNTHRTHR(chain 'C' and (resid 5 through 23 or resid 26...CC130 - 131130 - 131
351ILEILEPHEPHE(chain 'C' and (resid 5 through 23 or resid 26...CC133 - 147133 - 147
352SERSERSERSER(chain 'C' and (resid 5 through 23 or resid 26...CC150150
353ILEILEMETMET(chain 'C' and (resid 5 through 23 or resid 26...CC152 - 162152 - 162
354SERSERVALVAL(chain 'C' and (resid 5 through 23 or resid 26...CC164 - 171164 - 171
355THRTHRARGARG(chain 'C' and (resid 5 through 23 or resid 26...CC173 - 182173 - 182
356SERSERLYSLYS(chain 'C' and (resid 5 through 23 or resid 26...CC184 - 185184 - 185
357TYRTYRLEULEU(chain 'C' and (resid 5 through 23 or resid 26...CC188 - 192188 - 192
358SERSERARGARG(chain 'C' and (resid 5 through 23 or resid 26...CC194 - 203194 - 203
359PROPROTHRTHR(chain 'C' and (resid 5 through 23 or resid 26...CC205 - 208205 - 208
360LYSLYSSERSER(chain 'C' and (resid 5 through 23 or resid 26...CC210 - 217210 - 217
361GLYGLYGLUGLU(chain 'C' and (resid 5 through 23 or resid 26...CC219 - 243219 - 243
362GLYGLYTYRTYR(chain 'C' and (resid 5 through 23 or resid 26...CC245 - 256245 - 256
363GLYGLYCYSCYS(chain 'C' and (resid 5 through 23 or resid 26...CC259 - 261259 - 261
464THRTHRHISHIS(chain 'D' and (resid 5 through 20 or (resid 21...DD5 - 235 - 23
465LEULEUALAALA(chain 'D' and (resid 5 through 20 or (resid 21...DD26 - 4426 - 44
466HISHISALAALA(chain 'D' and (resid 5 through 20 or (resid 21...DD46 - 6346 - 63
467ASPASPALAALA(chain 'D' and (resid 5 through 20 or (resid 21...DD65 - 6665 - 66
468THRTHRTHRTHR(chain 'D' and (resid 5 through 20 or (resid 21...DD6868
469ILEILEILEILE(chain 'D' and (resid 5 through 20 or (resid 21...DD70 - 12170 - 121
470SERSERSERSER(chain 'D' and (resid 5 through 20 or (resid 21...DD123 - 128123 - 128
471GLNGLNTHRTHR(chain 'D' and (resid 5 through 20 or (resid 21...DD130 - 131130 - 131
472ILEILEPHEPHE(chain 'D' and (resid 5 through 20 or (resid 21...DD133 - 147133 - 147
473SERSERSERSER(chain 'D' and (resid 5 through 20 or (resid 21...DD150150
474ILEILEMETMET(chain 'D' and (resid 5 through 20 or (resid 21...DD152 - 162152 - 162
475SERSERVALVAL(chain 'D' and (resid 5 through 20 or (resid 21...DD164 - 171164 - 171
476THRTHRARGARG(chain 'D' and (resid 5 through 20 or (resid 21...DD173 - 182173 - 182
477SERSERLYSLYS(chain 'D' and (resid 5 through 20 or (resid 21...DD184 - 185184 - 185
478TYRTYRLEULEU(chain 'D' and (resid 5 through 20 or (resid 21...DD188 - 192188 - 192
479SERSERARGARG(chain 'D' and (resid 5 through 20 or (resid 21...DD194 - 203194 - 203
480PROPROTHRTHR(chain 'D' and (resid 5 through 20 or (resid 21...DD205 - 208205 - 208
481LYSLYSSERSER(chain 'D' and (resid 5 through 20 or (resid 21...DD210 - 217210 - 217
482GLYGLYGLUGLU(chain 'D' and (resid 5 through 20 or (resid 21...DD219 - 243219 - 243
483GLYGLYTYRTYR(chain 'D' and (resid 5 through 20 or (resid 21...DD245 - 256245 - 256
484GLYGLYCYSCYS(chain 'D' and (resid 5 through 20 or (resid 21...DD259 - 261259 - 261
585THRTHRHISHIS(chain 'E' and (resid 5 through 20 or (resid 21...EE5 - 235 - 23
586LEULEUALAALA(chain 'E' and (resid 5 through 20 or (resid 21...EE26 - 4426 - 44
587HISHISALAALA(chain 'E' and (resid 5 through 20 or (resid 21...EE46 - 6346 - 63
588ASPASPALAALA(chain 'E' and (resid 5 through 20 or (resid 21...EE65 - 6665 - 66
589THRTHRTHRTHR(chain 'E' and (resid 5 through 20 or (resid 21...EE6868
590ILEILEILEILE(chain 'E' and (resid 5 through 20 or (resid 21...EE70 - 12170 - 121
591SERSERSERSER(chain 'E' and (resid 5 through 20 or (resid 21...EE123 - 128123 - 128
592GLNGLNTHRTHR(chain 'E' and (resid 5 through 20 or (resid 21...EE130 - 131130 - 131
593ILEILEPHEPHE(chain 'E' and (resid 5 through 20 or (resid 21...EE133 - 147133 - 147
594SERSERSERSER(chain 'E' and (resid 5 through 20 or (resid 21...EE150150
595ILEILEMETMET(chain 'E' and (resid 5 through 20 or (resid 21...EE152 - 162152 - 162
596SERSERVALVAL(chain 'E' and (resid 5 through 20 or (resid 21...EE164 - 171164 - 171
597THRTHRARGARG(chain 'E' and (resid 5 through 20 or (resid 21...EE173 - 182173 - 182
598SERSERLYSLYS(chain 'E' and (resid 5 through 20 or (resid 21...EE184 - 185184 - 185
599TYRTYRLEULEU(chain 'E' and (resid 5 through 20 or (resid 21...EE188 - 192188 - 192
5100SERSERARGARG(chain 'E' and (resid 5 through 20 or (resid 21...EE194 - 203194 - 203
5101PROPROTHRTHR(chain 'E' and (resid 5 through 20 or (resid 21...EE205 - 208205 - 208
5102LYSLYSSERSER(chain 'E' and (resid 5 through 20 or (resid 21...EE210 - 217210 - 217
5103GLYGLYGLUGLU(chain 'E' and (resid 5 through 20 or (resid 21...EE219 - 243219 - 243
5104GLYGLYTYRTYR(chain 'E' and (resid 5 through 20 or (resid 21...EE245 - 256245 - 256
5105GLYGLYCYSCYS(chain 'E' and (resid 5 through 20 or (resid 21...EE259 - 261259 - 261
6106THRTHRHISHIS(chain 'F' and (resid 5 through 23 or resid 26...FF5 - 235 - 23
6107LEULEUALAALA(chain 'F' and (resid 5 through 23 or resid 26...FF26 - 4426 - 44
6108HISHISALAALA(chain 'F' and (resid 5 through 23 or resid 26...FF46 - 6346 - 63
6109ASPASPALAALA(chain 'F' and (resid 5 through 23 or resid 26...FF65 - 6665 - 66
6110THRTHRTHRTHR(chain 'F' and (resid 5 through 23 or resid 26...FF6868
6111ILEILEILEILE(chain 'F' and (resid 5 through 23 or resid 26...FF70 - 12170 - 121
6112SERSERSERSER(chain 'F' and (resid 5 through 23 or resid 26...FF123 - 128123 - 128
6113GLNGLNTHRTHR(chain 'F' and (resid 5 through 23 or resid 26...FF130 - 131130 - 131
6114ILEILEPHEPHE(chain 'F' and (resid 5 through 23 or resid 26...FF133 - 147133 - 147
6115SERSERSERSER(chain 'F' and (resid 5 through 23 or resid 26...FF150150
6116ILEILEMETMET(chain 'F' and (resid 5 through 23 or resid 26...FF152 - 162152 - 162
6117SERSERVALVAL(chain 'F' and (resid 5 through 23 or resid 26...FF164 - 171164 - 171
6118THRTHRARGARG(chain 'F' and (resid 5 through 23 or resid 26...FF173 - 182173 - 182
6119SERSERLYSLYS(chain 'F' and (resid 5 through 23 or resid 26...FF184 - 185184 - 185
6120TYRTYRLEULEU(chain 'F' and (resid 5 through 23 or resid 26...FF188 - 192188 - 192
6121SERSERARGARG(chain 'F' and (resid 5 through 23 or resid 26...FF194 - 203194 - 203
6122PROPROTHRTHR(chain 'F' and (resid 5 through 23 or resid 26...FF205 - 208205 - 208
6123LYSLYSSERSER(chain 'F' and (resid 5 through 23 or resid 26...FF210 - 217210 - 217
6124GLYGLYGLUGLU(chain 'F' and (resid 5 through 23 or resid 26...FF219 - 243219 - 243
6125GLYGLYTYRTYR(chain 'F' and (resid 5 through 23 or resid 26...FF245 - 256245 - 256
6126GLYGLYCYSCYS(chain 'F' and (resid 5 through 23 or resid 26...FF259 - 261259 - 261
7127THRTHRHISHIS(chain 'G' and (resid 5 through 20 or (resid 21...GG5 - 235 - 23
7128LEULEUALAALA(chain 'G' and (resid 5 through 20 or (resid 21...GG26 - 4426 - 44
7129HISHISALAALA(chain 'G' and (resid 5 through 20 or (resid 21...GG46 - 6346 - 63
7130ASPASPALAALA(chain 'G' and (resid 5 through 20 or (resid 21...GG65 - 6665 - 66
7131THRTHRTHRTHR(chain 'G' and (resid 5 through 20 or (resid 21...GG6868
7132ILEILEILEILE(chain 'G' and (resid 5 through 20 or (resid 21...GG70 - 12170 - 121
7133SERSERSERSER(chain 'G' and (resid 5 through 20 or (resid 21...GG123 - 128123 - 128
7134GLNGLNTHRTHR(chain 'G' and (resid 5 through 20 or (resid 21...GG130 - 131130 - 131
7135ILEILEPHEPHE(chain 'G' and (resid 5 through 20 or (resid 21...GG133 - 147133 - 147
7136SERSERSERSER(chain 'G' and (resid 5 through 20 or (resid 21...GG150150
7137ILEILEMETMET(chain 'G' and (resid 5 through 20 or (resid 21...GG152 - 162152 - 162
7138SERSERVALVAL(chain 'G' and (resid 5 through 20 or (resid 21...GG164 - 171164 - 171
7139THRTHRARGARG(chain 'G' and (resid 5 through 20 or (resid 21...GG173 - 182173 - 182
7140SERSERLYSLYS(chain 'G' and (resid 5 through 20 or (resid 21...GG184 - 185184 - 185
7141TYRTYRLEULEU(chain 'G' and (resid 5 through 20 or (resid 21...GG188 - 192188 - 192
7142SERSERARGARG(chain 'G' and (resid 5 through 20 or (resid 21...GG194 - 203194 - 203
7143PROPROTHRTHR(chain 'G' and (resid 5 through 20 or (resid 21...GG205 - 208205 - 208
7144LYSLYSSERSER(chain 'G' and (resid 5 through 20 or (resid 21...GG210 - 217210 - 217
7145GLYGLYGLUGLU(chain 'G' and (resid 5 through 20 or (resid 21...GG219 - 243219 - 243
7146GLYGLYTYRTYR(chain 'G' and (resid 5 through 20 or (resid 21...GG245 - 256245 - 256
7147GLYGLYCYSCYS(chain 'G' and (resid 5 through 20 or (resid 21...GG259 - 261259 - 261
8148THRTHRHISHIS(chain 'H' and (resid 5 through 20 or (resid 21...HH5 - 235 - 23
8149LEULEUALAALA(chain 'H' and (resid 5 through 20 or (resid 21...HH26 - 4426 - 44
8150HISHISALAALA(chain 'H' and (resid 5 through 20 or (resid 21...HH46 - 6346 - 63
8151ASPASPALAALA(chain 'H' and (resid 5 through 20 or (resid 21...HH65 - 6665 - 66
8152THRTHRTHRTHR(chain 'H' and (resid 5 through 20 or (resid 21...HH6868
8153ILEILEILEILE(chain 'H' and (resid 5 through 20 or (resid 21...HH70 - 12170 - 121
8154SERSERSERSER(chain 'H' and (resid 5 through 20 or (resid 21...HH123 - 128123 - 128
8155GLNGLNTHRTHR(chain 'H' and (resid 5 through 20 or (resid 21...HH130 - 131130 - 131
8156ILEILEPHEPHE(chain 'H' and (resid 5 through 20 or (resid 21...HH133 - 147133 - 147
8157SERSERSERSER(chain 'H' and (resid 5 through 20 or (resid 21...HH150150
8158ILEILEMETMET(chain 'H' and (resid 5 through 20 or (resid 21...HH152 - 162152 - 162
8159SERSERVALVAL(chain 'H' and (resid 5 through 20 or (resid 21...HH164 - 171164 - 171
8160THRTHRARGARG(chain 'H' and (resid 5 through 20 or (resid 21...HH173 - 182173 - 182
8161SERSERLYSLYS(chain 'H' and (resid 5 through 20 or (resid 21...HH184 - 185184 - 185
8162TYRTYRLEULEU(chain 'H' and (resid 5 through 20 or (resid 21...HH188 - 192188 - 192
8163SERSERARGARG(chain 'H' and (resid 5 through 20 or (resid 21...HH194 - 203194 - 203
8164PROPROTHRTHR(chain 'H' and (resid 5 through 20 or (resid 21...HH205 - 208205 - 208
8165LYSLYSSERSER(chain 'H' and (resid 5 through 20 or (resid 21...HH210 - 217210 - 217
8166GLYGLYGLUGLU(chain 'H' and (resid 5 through 20 or (resid 21...HH219 - 243219 - 243
8167GLYGLYTYRTYR(chain 'H' and (resid 5 through 20 or (resid 21...HH245 - 256245 - 256
8168GLYGLYCYSCYS(chain 'H' and (resid 5 through 20 or (resid 21...HH259 - 261259 - 261

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Components

#1: Protein
Glutamate receptor 2,Glutamate receptor 2 / GluR-2 / AMPA-selective glutamate receptor 2 / GluR-B / GluR-K2 / Glutamate receptor ionotropic / ...GluR-2 / AMPA-selective glutamate receptor 2 / GluR-B / GluR-K2 / Glutamate receptor ionotropic / AMPA 2 / GluA2


Mass: 29324.826 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Rattus norvegicus (Norway rat) / Gene: Gria2, Glur2 / Plasmid: pET22b / Production host: Escherichia coli K-12 (bacteria) / Strain (production host): Origami B / References: UniProt: P19491
#2: Chemical
ChemComp-ZK1 / {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid / [[3,4-Dihydro-7-(4-morpholinyl)-2,3-dioxo-6-(trifluorom ethyl)-1(2H)-quinoxalinyl]methyl]phosphonic acid


Mass: 409.254 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C14H15F3N3O6P / Comment: antagonist, medication*YM
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 825 / Source method: isolated from a natural source / Formula: H2O
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: 2.62 Å3/Da / Density % sol: 53.08 %
Crystal growTemperature: 287 K / Method: vapor diffusion, sitting drop
Details: 0.2M Ammonium Chloride, 20% PEG 3350, 10microM ZK200775.

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I24 / Wavelength: 0.9686 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jan 13, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9686 Å / Relative weight: 1
ReflectionResolution: 2.258769→81.83 Å / Num. obs: 114724 / % possible obs: 99.9 % / Redundancy: 1.9 % / CC1/2: 0.985 / Rpim(I) all: 0.086 / Rrim(I) all: 0.121 / Net I/σ(I): 6.8
Reflection shellResolution: 2.26→2.34 Å

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Processing

Software
NameVersionClassification
PHENIX1.11.1_2575refinement
Aimlessdata scaling
PHASERphasing
xia2data reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3KGC

3kgc


Resolution: 2.50001683981→81.83 Å / SU ML: 0.351067286516 / Cross valid method: FREE R-VALUE / σ(F): 1.33646103558 / Phase error: 27.6175650896
RfactorNum. reflection% reflection
Rfree0.264914925023 8191 4.98505882138 %
Rwork0.197587956151 --
obs0.2009259541 86340 99.1665258431 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 55.2256097443 Å2
Refinement stepCycle: LAST / Resolution: 2.50001683981→81.83 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms16159 0 216 825 17200
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01259804673616691
X-RAY DIFFRACTIONf_angle_d1.2736999694922514
X-RAY DIFFRACTIONf_chiral_restr0.06239347720732457
X-RAY DIFFRACTIONf_plane_restr0.007886230020142778
X-RAY DIFFRACTIONf_dihedral_angle_d15.717416709410064
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.5-2.52840.3128904394822920.2761443724725282X-RAY DIFFRACTION99.4824201321
2.5284-2.55820.3228318062452800.2568489536545152X-RAY DIFFRACTION99.7246190564
2.5582-2.58940.335070223612440.2621736895625293X-RAY DIFFRACTION99.7298270893
2.5894-2.62220.3420906945012770.2748481006285211X-RAY DIFFRACTION99.4383040406
2.6222-2.65670.3366498010092950.2803362857415210X-RAY DIFFRACTION99.3323709852
2.6567-2.69310.349143323532810.2791861617635026X-RAY DIFFRACTION96.6490621016
2.6931-2.73150.317400195242700.2459455879715206X-RAY DIFFRACTION99.5455371751
2.7315-2.77230.2946438864082460.2442478326845333X-RAY DIFFRACTION99.6072129977
2.7723-2.81560.3294366865182450.2550368367135144X-RAY DIFFRACTION99.5198522622
2.8156-2.86180.3717882878332760.2506886143725267X-RAY DIFFRACTION99.1947029349
2.8618-2.91110.3107834314092820.2473247553835152X-RAY DIFFRACTION99.4145627516
2.9111-2.96410.3003993957813050.2436880169315231X-RAY DIFFRACTION99.2292525542
2.9641-3.02110.3131163613992580.241470608845209X-RAY DIFFRACTION99.3819305581
3.0211-3.08280.3362492070682640.2386353544135228X-RAY DIFFRACTION99.2948833846
3.0828-3.14980.2946913387662740.2229237027545187X-RAY DIFFRACTION99.4717668488
3.1498-3.22310.3169016286512890.2160730536765223X-RAY DIFFRACTION99.0654205607
3.2231-3.30370.27615565693250.2070141477295193X-RAY DIFFRACTION99.4234234234
3.3037-3.3930.3077049260032600.2033733278055197X-RAY DIFFRACTION99.4895168642
3.393-3.49280.2769294979822550.2054651999215124X-RAY DIFFRACTION97.2694394213
3.4928-3.60560.2377411602252820.1891146446835209X-RAY DIFFRACTION99.5467730239
3.6056-3.73440.2740340709863210.1878520109795100X-RAY DIFFRACTION98.0289330922
3.7344-3.8840.2671213417022770.1856422547795190X-RAY DIFFRACTION99.273651716
3.884-4.06070.216050193772390.1656170477435139X-RAY DIFFRACTION97.4981870921
4.0607-4.27480.2324107155112230.1435626771575289X-RAY DIFFRACTION99.5844625113
4.2748-4.54260.1702332518722180.1300726070445297X-RAY DIFFRACTION99.2978033849
4.5426-4.89330.1960712398152920.1375402498155125X-RAY DIFFRACTION99.4127362819
4.8933-5.38570.2143234947172880.1537829140055265X-RAY DIFFRACTION99.5518106848
5.3857-6.16480.2617843607252560.1962597691615236X-RAY DIFFRACTION99.8001090314
6.1648-7.7660.2382252024942690.1689616991135239X-RAY DIFFRACTION99.6923076923
7.766-82.00670.1832130559473080.1680018670275163X-RAY DIFFRACTION99.1841914431
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)
11.67890191098-0.6455034607810.3965018951030.659199437124-0.1747363061030.6620134583960.03302236399440.03420531878070.1676751406120.0341441365049-0.0591518658916-0.00702850791983-0.0507862573689-0.1242465234710.08066492942460.303989684737-0.01743916267210.03437663253920.287707284572-0.05064060526930.2598067667714.2308009147224.901720973320.4962830987
20.822745659357-0.626024042307-0.4772225476183.739676978630.6668062678782.483626103280.0153732770424-0.032659138956-0.1356500624770.190898480875-0.19021302061-0.07565955000320.2478135310140.009865269622840.1386547960230.322511568876-0.02597567873670.001487447778250.2824939290740.02640084121010.23998146448519.390770433313.850706164335.5340113928
31.219651435430.4821008619160.2456690136212.310663171910.7475073404634.251198006760.01048500867090.06057200233220.0521289877416-0.190637201438-0.104138365831-0.294613679559-0.0976502055606-0.1346112281990.06631572876080.1963145239980.01942092502840.02309236548270.3070151065220.03727510843720.3224503679212.966287845131.51657457917.6561288071
42.177899280090.963084027969-0.3312678263283.044854029480.7360515827640.7587104038660.05851915781390.271253478737-0.304162966072-0.211936010063-0.006028669273230.103797214670.00767472604969-0.0743474005526-0.00751009468860.2535276119890.00591567769669-0.02610511447880.226796035717-0.03094212829970.26726725775-0.277548697526-33.007937872127.8666288395
52.081782756340.0482209024348-0.7987074377641.07269908338-0.7535481810890.9754798082620.123090926315-0.01743338829880.00736732562825-0.09819171384480.1749181940320.1153597130190.2085808497080.123555070947-0.1143586046550.2978078663750.00506331930314-0.09066957682680.200774896974-0.03772617500130.3022881060413.7004813022-25.619528275928.415522757
61.726549196950.183574698351-1.172472978733.07258578346-0.2961756402083.466234476760.1749522834340.2343504045020.164426302148-0.138645267328-0.08762962185760.135085789138-0.194359339399-0.00410497813081-0.008493188131630.2810246886380.09202929112020.0198941584640.3415732238280.03725373062590.20786586056920.3979798023-20.834394740412.0877422527
71.66747184736-0.283979872581-0.9249649488852.576779245330.8057950992123.923606655080.07177699777970.00410800540196-0.223735840720.156361630875-0.132276566793-0.122599790530.2211810306090.238305336783-0.04008215885110.2046590955920.0162223701878-0.02928249516960.184347367809-0.001775948685940.28566434889312.3722561041-37.838468376830.6476351932
81.33619534874-0.457644026337-0.204412518490.742787368742-0.4769792908720.444944223510.0734566737016-0.2440297937070.4719824010050.01460047098710.027532326954-0.145556232445-0.1870803382490.0711457180356-0.005892545392080.303787929678-0.02224727023360.03375970550640.294696951455-0.07973118538980.4649340944691.92420231372-1.2522901966151.1599908243
91.29732108135-0.04377069016210.6296578533172.047618029940.1712044522651.278252589850.1393726697460.2583662716150.368891718595-0.5063993149470.277503800455-0.368312851742-0.302757261122-0.158925138781-0.05482159566470.47475604140.03074543235180.1993492423160.245751508780.08077136732320.501155869113-13.285149838410.84049528937.3035571178
100.0496992665512-0.19530733567-0.08112050514373.75056249718-0.01313393413280.978336911914-0.0310059341683-0.3665797175840.2568720637210.1320431027510.2338458949460.00731143030731-0.01250752572310.129959308294-0.05668296498430.249091455314-0.002589892750180.053941057470.317762842332-0.1055945217570.364518858857-6.42225597479-3.0436803031558.382020038
111.586845489160.163455230934-1.079658830640.9540044584021.022925779752.106189794070.0578956349971-0.07127046149390.0728631066442-0.0991438879495-0.02242554798370.007520911380370.06707321765150.0203690080349-0.04044425158720.2082802974230.0171271135661-0.007387267868250.227841632651-0.01236864236170.301077227815-26.44454412317.30650672594.59125223709
122.872306527710.271987868069-0.2416327937052.00901143129-0.1731610180512.02287487781-0.0482774490520.1039131187230.0707758483675-0.502374257606-0.1564457302320.0613801873503-0.1935844692960.0443885260811-0.04089100033290.3054347771550.027579988771-0.00697531028990.236440756417-0.004776310634590.226822496829-19.734986903518.0603247728-9.43333560445
133.535378379170.963228507751-0.1742105988291.195178876640.06188398221730.01789746903530.04421749984980.0160894727294-0.1272696242330.0412943738202-0.05982797972090.05874415082570.0556779375542-0.0272419541725-0.02866198060830.348209776801-0.03566509161550.00906435015220.260395379898-0.003059625237510.205150130356-22.2790082549-0.499622704587-5.55444021392
141.33178008897-0.1005622704-1.080278934020.2387055948540.4454019931171.42474489909-0.01781615705110.26876978332-0.345630998753-0.0564060162722-0.1028547829730.1078940515590.0791652409814-0.2785414791510.1619394015280.246260781749-0.00958620708278-0.01203015305860.285948685564-0.04170965909330.222962826636-31.7567983613-7.15321521289-11.7975219484
152.095332199911.01670037750.1364039832681.68128154869-0.9861998678541.416157774280.154728118283-0.09923220008870.1582694694760.198097577628-0.03529214118-0.147703161823-0.0237301747457-0.0279864932397-0.06581270496490.1938997794370.02811257650940.08777747404530.230274685195-0.05477572968240.215027064231-18.83113485936.691501023776.36929959923
161.96590718626-0.101931817391.131644050950.8816254960720.8168785362731.495128871370.1306790569340.0670001386112-0.2717334965820.0901913237395-0.04024330482770.02955127578430.0885896980824-0.2015857436690.003429513145530.224345938636-0.01554326937130.01558048574060.206429959149-0.009499938009570.261642661939-27.0949748101-24.398973118543.8587681903
171.8557855205-0.226507815978-0.4057907206673.26345274461-0.5672334746042.738272973880.0292559331397-0.2499380268270.03772627463220.2222271149630.003014891558550.1537845334680.371786881647-0.266053550960.103394665650.238908623034-0.03832839092540.04132186155430.2875949505160.02370192442820.221434525337-19.847709989-25.841391240557.4927573845
183.80529679461-1.93443255845-0.09673410615062.765736212730.1652261977770.752333705252-0.00731948671555-0.04709825769480.4200829172650.3213772684060.01084506040690.001619298767510.0203616176979-0.0706983860680.0367784583820.270737647034-0.009721670793330.05297954732360.252919718894-0.02901452409350.251552121763-22.5056502865-7.2061537911454.5254698918
191.624246777790.06985502455131.271478653240.6252020472891.240443615083.18632596079-0.0391525123509-0.03207692120450.1050695346990.0187021650417-0.1942299376340.0831584231532-0.0296005947651-0.05925198785450.1108282609530.195934861662-0.00976919639540.01226993878570.204498474240.01175657246390.203327735218-31.8929600381-1.03441948661.2805562487
204.34800988025-1.6899615278-0.6885636404010.703482429680.5921217118022.010612578320.3674552640370.2205502505150.00793655851359-0.0989276262141-0.226378457681-0.0067360596804-0.1340029467490.0147491747744-0.03116389646550.23289560563-0.0264595603605-0.001574896923190.1571108944160.0192428704620.230922946694-19.2763508927-13.683970534942.0628705105
211.353275672860.55318422514-0.9318852371111.800627152340.2511011928221.74859112172-0.09879257966340.0140748918821-0.03417352789020.04210237273590.191805054568-0.2936251212550.2531033233820.190777137469-0.007277214329340.2430767865260.0639729318415-0.004236241911270.277660174826-0.0443121875140.1996506035826.53005687861-8.26667241057-8.18285893301
221.80357381955-0.4417889096630.5728366065886.70054143837-0.9076391823421.480529222250.239893535262-0.3412996472080.3997525932420.0208778306623-0.3019344682410.2526170537420.03366896511250.6314192707080.4844032308140.239342463142-0.07900141865170.04465995410.408912508943-0.0594974046390.3071396820779.019849997411.353531055448.63335029365
230.409473032282-0.0073912453885-0.2104473761811.44560038093-0.1816045568590.189917867483-0.0955283874725-0.2274241206690.2357133102130.1249104547570.1892365698070.3013987121930.09237374323980.0537229719573-0.081828452430.2773297865420.0713733897342-0.02093547954660.357752387302-0.04888293038430.273621631917-5.89145921527-5.216180081252.74990482062
240.31783026699-0.3192902376460.1954883692582.33531218649-0.08886273482713.31102413501-0.172154476855-0.0278665696110.09594648895320.3798556221390.214469597637-0.0301285439170.2515488523210.07893528800110.0001521311125380.4176562532640.07182586801140.01429784784480.3487749818050.01916539144590.332785952691-12.6430696033-16.444126093112.8524439418
251.153976508831.32165372705-0.9429295670454.21708871161-0.8855440035870.9191473844790.02521098963780.05215454745190.125043846448-0.2268131058940.0914339075585-0.1423730318360.0113000825650.0536548926717-0.08260599674770.214875362140.00469043719037-0.02964055263370.201332853951-0.01768181388750.158413138612-6.09594858554-4.54048579429-9.38409536286
261.430102538021.619908344360.02432792995391.88198275827-0.4690181909961.374505742120.215845105616-0.219584557271-0.006636819277270.156324961439-0.034974101143-0.1739208316240.1023043195910.0458635692606-0.03342041865120.2360695131070.0127726358972-0.03102321437440.319956463254-0.05071816471870.259077888830.9407373103-22.997942746649.6416566984
271.209560282370.946284650581-0.7261074812811.20696296625-0.8142354202491.100460695350.394118683002-0.0117014719673-0.02256166034250.08826038765270.1608262805950.0893238965580.1819202753070.3768819128781.43775205960.304903355330.0623003248429-0.1080055855550.377303785291-0.1393724153410.27066724012528.417777421-33.599398770633.925489483
281.488015844760.140840714576-0.4256135024171.59766077177-0.4797412439990.9502090407150.2513432201770.315475624733-0.5093845379880.105435311065-0.08702277144460.003498078451430.1419249131090.169307139535-0.1388096928060.3182841682570.106705231002-0.1082765238510.392648760029-0.1442334344050.48530891273937.8364008718-41.603574810329.6504460686
294.175322102930.272421963707-1.299266590911.69008083879-0.1496694176282.165693713820.3202660036520.108242419084-0.0599619746102-0.165335601289-0.1560300410890.0980461250791-0.2816456182360.187863076329-0.1653622527810.242350299790.01428428166980.02548085552580.22590600476-0.033622380520.2427648616925.7198789017-19.845861742136.8626124841
303.0943424425-1.05320769448-1.192634219211.83824999253-0.006556280569470.8460534145120.06909911004240.0332519213294-0.294342537248-0.183522944897-0.0757357239637-0.0349808724215-0.0943303494793-0.0836790464396-0.05860588632070.2505818242110.01138372848650.03522799386640.274466000506-0.044144655030.24494707411234.55659335739.463658278151.53024049481
311.841570088590.0630679417532-6.14500979221E-52.87080440241-0.1256890938471.117819704130.1471562543790.2944396983640.0441746032483-0.5326809224890.00711204987083-0.172599244235-0.238488322750.0709716459893-0.08949571215240.3459960940890.0472625883080.03350659392280.3955316261270.03160668018210.26233984371128.144951657422.8386560569-4.42094789844
323.385495355170.3019687844270.5121329271140.457409270924-0.589469568690.961502403363-0.0834943811091-0.4081972332280.1685488225610.0547097526208-0.0459520044732-0.0432539466155-0.140984402479-0.4046464877940.09337155412850.2569438672750.03142964861430.03578813036740.238100201409-0.02256467915630.21947487421528.871706695226.842749764514.2029707411
332.62115338994-1.862122882770.3787291087754.108799967460.06038714699010.4154034491430.101770426814-0.1658798328740.185490429457-0.0524804554094-0.0187910559785-0.264040452664-0.111495401688-0.017123583379-0.06739132275790.24576195472-0.006718015308440.05890931928090.2945007321670.006072530607460.23913370301338.42979883834.824125711718.4657081017
345.011577338130.7862778133161.455533746511.819786126230.06944453118960.4241187935040.1814212879980.0984674968182-0.2348168273670.0025199455877-0.142692469327-0.0348202913470.2217823081360.0345162110268-0.09554228601250.2790112028980.005071608873260.03269591546510.279633635863-0.005966424401040.20230024291126.151646619713.178959577311.2533889104
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 3 through 123 )
2X-RAY DIFFRACTION2chain 'A' and (resid 124 through 217 )
3X-RAY DIFFRACTION3chain 'A' and (resid 218 through 263 )
4X-RAY DIFFRACTION4chain 'B' and (resid 4 through 93 )
5X-RAY DIFFRACTION5chain 'B' and (resid 94 through 116 )
6X-RAY DIFFRACTION6chain 'B' and (resid 117 through 217 )
7X-RAY DIFFRACTION7chain 'B' and (resid 218 through 261 )
8X-RAY DIFFRACTION8chain 'C' and (resid 4 through 123 )
9X-RAY DIFFRACTION9chain 'C' and (resid 124 through 217 )
10X-RAY DIFFRACTION10chain 'C' and (resid 218 through 262 )
11X-RAY DIFFRACTION11chain 'D' and (resid 3 through 65 )
12X-RAY DIFFRACTION12chain 'D' and (resid 66 through 93 )
13X-RAY DIFFRACTION13chain 'D' and (resid 94 through 123 )
14X-RAY DIFFRACTION14chain 'D' and (resid 124 through 217 )
15X-RAY DIFFRACTION15chain 'D' and (resid 218 through 261 )
16X-RAY DIFFRACTION16chain 'E' and (resid 4 through 65 )
17X-RAY DIFFRACTION17chain 'E' and (resid 66 through 93 )
18X-RAY DIFFRACTION18chain 'E' and (resid 94 through 123 )
19X-RAY DIFFRACTION19chain 'E' and (resid 124 through 217 )
20X-RAY DIFFRACTION20chain 'E' and (resid 218 through 261 )
21X-RAY DIFFRACTION21chain 'F' and (resid 4 through 65 )
22X-RAY DIFFRACTION22chain 'F' and (resid 66 through 79 )
23X-RAY DIFFRACTION23chain 'F' and (resid 80 through 123 )
24X-RAY DIFFRACTION24chain 'F' and (resid 124 through 217 )
25X-RAY DIFFRACTION25chain 'F' and (resid 218 through 261 )
26X-RAY DIFFRACTION26chain 'G' and (resid 4 through 93 )
27X-RAY DIFFRACTION27chain 'G' and (resid 94 through 123 )
28X-RAY DIFFRACTION28chain 'G' and (resid 124 through 217 )
29X-RAY DIFFRACTION29chain 'G' and (resid 218 through 263 )
30X-RAY DIFFRACTION30chain 'H' and (resid 4 through 47 )
31X-RAY DIFFRACTION31chain 'H' and (resid 48 through 93 )
32X-RAY DIFFRACTION32chain 'H' and (resid 94 through 123 )
33X-RAY DIFFRACTION33chain 'H' and (resid 124 through 217 )
34X-RAY DIFFRACTION34chain 'H' and (resid 218 through 263 )

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