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- PDB-5c1m: Crystal structure of active mu-opioid receptor bound to the agoni... -

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Basic information

Entry
Database: PDB / ID: 5c1m
TitleCrystal structure of active mu-opioid receptor bound to the agonist BU72
Components
  • Mu-type opioid receptor
  • Nanobody 39Single-domain antibody
KeywordsSignaling Protein/antagonist / Ligands / Mice / Agonists / Morphinans / Activation / Receptors / Opioid / mu / Nanobody / Signaling Protein-antagonist complex
Function / homology
Function and homology information


Opioid Signalling / spine apparatus / beta-endorphin receptor activity / morphine receptor activity / negative regulation of Wnt protein secretion / Peptide ligand-binding receptors / adenylate cyclase-inhibiting opioid receptor signaling pathway / positive regulation of appetite / G-protein activation / G protein-coupled opioid receptor activity ...Opioid Signalling / spine apparatus / beta-endorphin receptor activity / morphine receptor activity / negative regulation of Wnt protein secretion / Peptide ligand-binding receptors / adenylate cyclase-inhibiting opioid receptor signaling pathway / positive regulation of appetite / G-protein activation / G protein-coupled opioid receptor activity / filamin binding / G protein-coupled opioid receptor signaling pathway / regulation of cellular response to stress / G alpha (i) signalling events / behavioral response to ethanol / adenylate cyclase-inhibiting G protein-coupled acetylcholine receptor signaling pathway / negative regulation of nitric oxide biosynthetic process / negative regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway / neuropeptide binding / negative regulation of cAMP-mediated signaling / regulation of NMDA receptor activity / positive regulation of neurogenesis / eating behavior / negative regulation of cytosolic calcium ion concentration / transmission of nerve impulse / G-protein alpha-subunit binding / neuropeptide signaling pathway / GABA-ergic synapse / voltage-gated calcium channel activity / positive regulation of cAMP-mediated signaling / sensory perception of pain / dendrite membrane / presynaptic modulation of chemical synaptic transmission / adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway / excitatory postsynaptic potential / dendrite cytoplasm / locomotory behavior / G protein-coupled receptor activity / adenylate cyclase-activating dopamine receptor signaling pathway / G-protein beta-subunit binding / positive regulation of nitric oxide biosynthetic process / presynaptic membrane / phospholipase C-activating G protein-coupled receptor signaling pathway / positive regulation of cytosolic calcium ion concentration / perikaryon / postsynaptic membrane / response to ethanol / positive regulation of ERK1 and ERK2 cascade / endosome / neuron projection / G protein-coupled receptor signaling pathway / protein domain specific binding / axon / focal adhesion / dendrite / membrane / plasma membrane
Similarity search - Function
Mu opioid receptor / Opioid receptor / Rhopdopsin 7-helix transmembrane proteins / Rhodopsin 7-helix transmembrane proteins / G-protein coupled receptors family 1 signature. / G protein-coupled receptor, rhodopsin-like / GPCR, rhodopsin-like, 7TM / G-protein coupled receptors family 1 profile. / 7 transmembrane receptor (rhodopsin family) / Immunoglobulins ...Mu opioid receptor / Opioid receptor / Rhopdopsin 7-helix transmembrane proteins / Rhodopsin 7-helix transmembrane proteins / G-protein coupled receptors family 1 signature. / G protein-coupled receptor, rhodopsin-like / GPCR, rhodopsin-like, 7TM / G-protein coupled receptors family 1 profile. / 7 transmembrane receptor (rhodopsin family) / Immunoglobulins / Up-down Bundle / Immunoglobulin-like / Sandwich / Mainly Beta / Mainly Alpha
Similarity search - Domain/homology
CHOLESTEROL / (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate / PHOSPHATE ION / Chem-VF1 / Mu-type opioid receptor
Similarity search - Component
Biological speciesMus musculus (house mouse)
Lama glama (llama)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.07 Å
AuthorsHuang, W.J. / Manglik, A. / Venkatakrishnan, A.J. / Laeremans, T. / Feinberg, E.N. / Sanborn, A.L. / Kato, H.E. / Livingston, K.E. / Thorsen, T.S. / Kling, R. ...Huang, W.J. / Manglik, A. / Venkatakrishnan, A.J. / Laeremans, T. / Feinberg, E.N. / Sanborn, A.L. / Kato, H.E. / Livingston, K.E. / Thorsen, T.S. / Kling, R. / Granier, S. / Gmeiner, P. / Husbands, S.M. / Traynor, J.R. / Weis, W.I. / Steyaert, J. / Dror, R.O. / Kobilka, B.K.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute on Drug Abuse (NIH/NIDA)R37DA036246 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01GM083118 United States
CitationJournal: Nature / Year: 2015
Title: Structural insights into mu-opioid receptor activation.
Authors: Huang, W. / Manglik, A. / Venkatakrishnan, A.J. / Laeremans, T. / Feinberg, E.N. / Sanborn, A.L. / Kato, H.E. / Livingston, K.E. / Thorsen, T.S. / Kling, R.C. / Granier, S. / Gmeiner, P. / ...Authors: Huang, W. / Manglik, A. / Venkatakrishnan, A.J. / Laeremans, T. / Feinberg, E.N. / Sanborn, A.L. / Kato, H.E. / Livingston, K.E. / Thorsen, T.S. / Kling, R.C. / Granier, S. / Gmeiner, P. / Husbands, S.M. / Traynor, J.R. / Weis, W.I. / Steyaert, J. / Dror, R.O. / Kobilka, B.K.
History
DepositionJun 15, 2015Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 5, 2015Provider: repository / Type: Initial release
Revision 1.1Aug 19, 2015Group: Database references
Revision 1.2Aug 26, 2015Group: Data collection
Revision 1.3Sep 2, 2015Group: Database references
Revision 1.4Sep 6, 2017Group: Author supporting evidence / Database references / Derived calculations
Category: citation / pdbx_audit_support / pdbx_struct_oper_list
Item: _citation.journal_id_CSD / _pdbx_audit_support.funding_organization / _pdbx_struct_oper_list.symmetry_operation
Revision 1.5Dec 11, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 2.0Feb 10, 2021Group: Advisory / Atomic model ...Advisory / Atomic model / Author supporting evidence / Data collection / Derived calculations / Non-polymer description / Other / Refinement description / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / cell / chem_comp / diffrn / entity / pdbx_entity_instance_feature / pdbx_entity_nonpoly / pdbx_entry_details / pdbx_nonpoly_scheme / pdbx_refine_tls / pdbx_refine_tls_group / pdbx_struct_assembly_prop / pdbx_struct_sheet_hbond / pdbx_unobs_or_zero_occ_atoms / pdbx_validate_close_contact / pdbx_validate_torsion / refine / refine_hist / refine_ls_restr / refine_ls_shell / reflns / reflns_shell / software / struct / struct_asym / struct_conf / struct_conn / struct_mon_prot_cis / struct_sheet_range / struct_site / struct_site_gen / symmetry
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.occupancy / _atom_site.pdbx_formal_charge / _atom_site.type_symbol / _cell.volume / _chem_comp.formula / _chem_comp.formula_weight / _chem_comp.id / _chem_comp.mon_nstd_flag / _chem_comp.name / _chem_comp.pdbx_synonyms / _chem_comp.type / _diffrn.pdbx_serial_crystal_experiment / _entity.formula_weight / _entity.pdbx_description / _entity.pdbx_number_of_molecules / _pdbx_entity_nonpoly.comp_id / _pdbx_entity_nonpoly.name / _pdbx_nonpoly_scheme.asym_id / _pdbx_nonpoly_scheme.auth_mon_id / _pdbx_nonpoly_scheme.auth_seq_num / _pdbx_nonpoly_scheme.entity_id / _pdbx_nonpoly_scheme.mon_id / _pdbx_nonpoly_scheme.ndb_seq_num / _pdbx_nonpoly_scheme.pdb_mon_id / _pdbx_nonpoly_scheme.pdb_seq_num / _pdbx_nonpoly_scheme.pdb_strand_id / _pdbx_struct_assembly_prop.value / _pdbx_struct_sheet_hbond.range_1_auth_comp_id / _pdbx_struct_sheet_hbond.range_1_auth_seq_id / _pdbx_struct_sheet_hbond.range_1_label_comp_id / _pdbx_struct_sheet_hbond.range_1_label_seq_id / _pdbx_struct_sheet_hbond.range_2_auth_comp_id / _pdbx_struct_sheet_hbond.range_2_auth_seq_id / _pdbx_struct_sheet_hbond.range_2_label_comp_id / _pdbx_struct_sheet_hbond.range_2_label_seq_id / _pdbx_unobs_or_zero_occ_atoms.auth_seq_id / _pdbx_unobs_or_zero_occ_atoms.label_asym_id / _refine.B_iso_max / _refine.B_iso_mean / _refine.B_iso_min / _refine.ls_R_factor_R_free / _refine.ls_R_factor_R_work / _refine.ls_R_factor_obs / _refine.ls_d_res_high / _refine.ls_d_res_low / _refine.ls_number_reflns_R_free / _refine.ls_number_reflns_R_work / _refine.ls_number_reflns_obs / _refine.ls_percent_reflns_obs / _refine.overall_SU_ML / _refine.pdbx_method_to_determine_struct / _refine.pdbx_overall_phase_error / _refine.pdbx_starting_model / _refine.pdbx_stereochemistry_target_values / _refine_hist.cycle_id / _refine_hist.d_res_high / _refine_hist.d_res_low / _refine_hist.pdbx_B_iso_mean_ligand / _refine_hist.pdbx_B_iso_mean_solvent / _refine_hist.pdbx_number_residues_total / _refine_ls_restr.dev_ideal / _refine_ls_restr.number / _reflns.B_iso_Wilson_estimate / _reflns.Rmerge_F_obs / _reflns.d_resolution_high / _reflns.d_resolution_low / _reflns.number_obs / _reflns.pdbx_CC_half / _reflns.pdbx_Rmerge_I_obs / _reflns.pdbx_Rrim_I_all / _reflns.pdbx_chi_squared / _reflns.pdbx_netI_over_sigmaI / _reflns.pdbx_number_measured_all / _reflns.pdbx_redundancy / _reflns.percent_possible_obs / _struct.pdbx_CASP_flag / _struct_asym.entity_id / _struct_conf.beg_auth_comp_id / _struct_conf.beg_auth_seq_id / _struct_conf.beg_label_comp_id / _struct_conf.beg_label_seq_id / _struct_conf.end_auth_comp_id / _struct_conf.end_auth_seq_id / _struct_conf.end_label_comp_id / _struct_conf.end_label_seq_id / _struct_conf.pdbx_PDB_helix_length / _struct_conn.pdbx_dist_value / _struct_sheet_range.beg_auth_comp_id / _struct_sheet_range.beg_auth_seq_id / _struct_sheet_range.beg_label_comp_id / _struct_sheet_range.beg_label_seq_id / _symmetry.space_group_name_Hall
Description: Chirality error / Provider: author / Type: Coordinate replacement
Revision 2.1Sep 27, 2023Group: 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
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Mu-type opioid receptor
B: Nanobody 39
hetero molecules


Theoretical massNumber of molelcules
Total (without water)49,5859
Polymers47,3972
Non-polymers2,1887
Water1,69394
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4210 Å2
ΔGint-27 kcal/mol
Surface area19460 Å2
MethodPISA
Unit cell
Length a, b, c (Å)44.430, 144.000, 209.900
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number24
Space group name H-MI212121
Space group name HallI2b2c

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Components

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Protein / Antibody , 2 types, 2 molecules AB

#1: Protein Mu-type opioid receptor / MOR-1


Mass: 33728.289 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Oprm1, Mor, Oprm / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: P42866
#2: Antibody Nanobody 39 / Single-domain antibody


Mass: 13668.987 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lama glama (llama) / Production host: Escherichia coli (E. coli)

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Non-polymers , 6 types, 101 molecules

#3: Chemical ChemComp-OLC / (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate / 1-Oleoyl-R-glycerol


Mass: 356.540 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C21H40O4
#4: Chemical ChemComp-CLR / CHOLESTEROL / Cholesterol


Mass: 386.654 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C27H46O
#5: Chemical ChemComp-PO4 / PHOSPHATE ION / Phosphate


Mass: 94.971 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: PO4
#6: Chemical ChemComp-P6G / HEXAETHYLENE GLYCOL / POLYETHYLENE GLYCOL PEG400 / Polyethylene glycol


Mass: 282.331 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C12H26O7 / Comment: precipitant*YM
#7: Chemical ChemComp-VF1 / (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol / BU72 / BU72


Mass: 428.566 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C28H32N2O2 / Feature type: SUBJECT OF INVESTIGATION
#8: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 94 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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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: 3.54 Å3/Da / Density % sol: 65.3 % / Description: Cubic
Crystal growTemperature: 293 K / Method: lipidic cubic phase / pH: 7.5
Details: Reconstituted in 10:1 monoolein:cholesterol mix. Precipitant solution:15-25% PEG300, 100 mM HEPES pH 7.0-7.5, 1% 1,2,3-heptanetriol, 0.5-1.0% Polypropylene glycol P 400, 100-300 mM (NH4)2HPO4
PH range: 7.0-7.5

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Data collection

DiffractionMean temperature: 80 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.0332 Å
DetectorType: PSI PILATUS 6M / Detector: PIXEL / Date: Nov 14, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0332 Å / Relative weight: 1
ReflectionResolution: 2.07→43.47 Å / Num. obs: 41704 / % possible obs: 99.8 % / Observed criterion σ(I): -3 / Redundancy: 8.6 % / Biso Wilson estimate: 43.71 Å2 / CC1/2: 0.992 / Rmerge(I) obs: 0.112 / Net I/σ(I): 11
Reflection shellResolution: 2.07→2.12 Å / Rmerge(I) obs: 1.536 / Mean I/σ(I) obs: 1.7 / Num. unique obs: 2793 / CC1/2: 0.647

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
PHENIX1.17.1_3660refinement
XSCALEdata scaling
PDB_EXTRACT3.15data extraction
PHASERphasing
XDSdata reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4DKL, 3P0G

4dkl

3p0g


Resolution: 2.07→43.47 Å / SU ML: 0.2529 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 23.0482
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2291 2086 5 %
Rwork0.1989 39618 -
obs0.2004 41704 99.8 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 58.4 Å2
Refinement stepCycle: LAST / Resolution: 2.07→43.47 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3259 0 131 94 3484
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00363513
X-RAY DIFFRACTIONf_angle_d0.694790
X-RAY DIFFRACTIONf_chiral_restr0.0471560
X-RAY DIFFRACTIONf_plane_restr0.004571
X-RAY DIFFRACTIONf_dihedral_angle_d14.261400
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.07-2.120.33531400.29312653X-RAY DIFFRACTION99.89
2.12-2.170.25851350.25992569X-RAY DIFFRACTION100
2.17-2.230.27291380.25092621X-RAY DIFFRACTION100
2.23-2.30.28561350.23182571X-RAY DIFFRACTION99.93
2.3-2.370.25161380.2232617X-RAY DIFFRACTION100
2.37-2.450.26231390.21152634X-RAY DIFFRACTION100
2.45-2.550.24251360.19662599X-RAY DIFFRACTION99.85
2.55-2.670.22251380.18632619X-RAY DIFFRACTION100
2.67-2.810.20231400.17762650X-RAY DIFFRACTION100
2.81-2.990.22521380.18832623X-RAY DIFFRACTION100
2.99-3.220.22771390.19452645X-RAY DIFFRACTION99.89
3.22-3.540.23711390.19992641X-RAY DIFFRACTION99.86
3.54-4.050.19911420.19112688X-RAY DIFFRACTION99.86
4.05-5.10.2211410.18582680X-RAY DIFFRACTION99.26
5.1-43.470.23471480.20272808X-RAY DIFFRACTION98.6
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)
10.00604086354219-0.01492473563160.005431120023110.0117167648675-0.000189576870435-0.003422268385420.3028195385330.3912921715820.406154199702-1.53154750424-0.894906307660.550663979088-0.8560998962570.08780869551410.5554290975441.414886429120.178108858543-0.2471319180770.9370108089760.1495168714391.02443212652-1.5890503248222.6057173756-71.1536083236
23.101288209480.327251323542.907701444973.21975343918-0.5687437186558.06689219649-0.539944543050.1772785332780.489539676193-0.0861036423436-0.0705511097321-0.0474634017038-1.304263760530.2894784039770.6761986959260.562816506393-0.0099419846014-0.0596473771890.260069283315-0.01984827568080.513996017406-2.2398118246130.2150869976-48.4469678677
31.382795030170.82035480804-0.9787997795212.68195906039-1.047989183054.00290503082-0.0633884243558-0.01641801385890.163100843386-0.06911087001660.087541693652-0.101725572909-0.4743058586910.04670621088460.005926078302110.319193556584-0.0253957424574-0.02134239124030.263012450571-0.01563661503230.3366806388353.0657057240516.6333010366-44.1704189494
42.753147055130.179612275352-1.197044264471.842513973470.0508245636938.979295213860.1032188053840.0509014336835-0.0446487352805-0.178378728637-0.0122203499469-0.242749700687-0.4123356361040.172383831498-0.03998923039530.286926485878-0.002803430294520.05328081900870.301450852808-0.04558129229750.43009909564710.871768851411.2197265159-49.9976111954
53.77099369029-0.197200198899-0.3743902901482.680068324280.7723286663731.84956555788-0.00202749626940.1045109303890.0362805336193-0.18011342379-0.1024742520530.025107317076-1.052953926950.2527754202850.09301228069110.537764137351-0.0555838608459-0.006180431499930.3388780915330.004554254912470.2828371649254.896933174277.5273770996-63.8303592011
62.38747421060.4843240729470.4548907789984.42611096017-0.1986219290817.52161171498-0.230779029149-0.376792677718-0.2054157642280.191734155423-0.0009102873819650.2801284364410.265122275851-0.8508118162210.1903392369460.348343658990.0253025163440.004841959091010.435731327398-0.02020843373610.4408276488-14.73182136543.15031354917-33.5235018611
73.19889995699-0.167009187786-0.4239909536843.227387504520.9065487314534.754784305480.0120833272746-0.238060348224-0.0725712786375-0.213605084585-0.1219127710590.219804449665-1.10151590912-0.1916817145790.08250647224680.2376489060190.0345508289659-0.06625858275910.275438722199-0.02071242836570.391536147212-13.336482097412.7968827029-48.9402024686
83.46974822260.0381106556125-0.06021822738122.66800940505-1.480962748862.009952918930.0283993588427-0.1885613328090.1845353118650.09694970399680.3255550606570.0629971911196-0.620144684807-0.0426801120956-0.2463156446910.4760914154440.0369154397475-0.02685246306280.28455185360.002333489135910.434109790337-7.3435189398322.0563030261-46.4058631716
94.63716635196-5.75873141248-3.160338976568.047957999562.442097644.57788047526-0.747959631895-1.63701324928-0.8628709442180.8399758966240.05108703242580.920565280390.376574425282-1.040805252370.6808928429160.678220587146-0.08787836279580.1388796386541.02194111431-0.05155601292870.498840815112-12.44856786093.90782598366-5.12778910488
104.502587604535.13196713272-1.239961082795.85307996933-1.317114015721.920599273720.284617552906-0.0240979772273-1.69350134023-0.0163088153175-0.180667275519-0.6660043983370.6751331260361.93655259759-0.2132269682310.5308018520850.179641415075-0.03188764930431.2514701949-0.01041869685240.59074586945710.40052214262.60799686631-8.65590091043
119.84188772442-0.841846314084-2.436006665144.722138572240.4217246783074.991102017850.518759143469-0.050638486942-0.8621602905490.660805205039-0.1890415873111.201918287990.247845632099-0.831898728095-0.2977943912770.455652767651-0.000624151296140.06383907224210.7102094540490.0848342785130.720566891496-10.23606577851.90300511604-11.6961665205
122.595833691570.377472761617-0.8359836693364.29950010679-0.5040214226822.304089617870.211527392793-1.613214136060.3036131087930.231851180097-0.4212583278490.159985503831-0.626743744079-0.9912585749580.2114673354730.3458890482990.0474575545472-0.0002044930287990.699084105296-0.09437059212830.211774128481-7.4457246750711.4887409017-10.7871046259
137.992267437631.929330409275.557956361843.830583022212.246863373684.11811479976-0.436917777709-1.458442642511.631828871830.826919740649-0.360558034043-0.001947177876-0.486320445292-0.5619501210270.7490844731520.710774750941-0.0263876700241-0.09237522450390.728490359034-0.1921724212770.555282295264-0.93655080720117.4697758313-8.06846151369
143.24770490762-0.6185333292192.090700087093.985824824151.357245545495.80771628781-0.2208597725680.08449841036490.272815198402-0.113566426357-0.156955792510.0890642274764-0.4519121200860.03295881417630.3518427286150.4543275154680.01610799641390.0409487349210.518775388948-0.01108474603220.336612478281-3.0908789681311.6223178172-20.5208775156
154.91255526675-0.3546657176820.7290060899872.997964255770.001638751651314.386580580860.158306367809-1.20285038516-0.1932750538020.0645326051479-0.343873103803-0.008951022707660.494424829839-0.3991180001020.1944226736620.369868894768-0.07541731120320.05449284959180.565968914106-0.01204333673460.324876947822-7.243783180433.16887978553-16.7486547236
168.303247804760.3011314852210.2392714810583.257878698420.5295756916574.52784433507-0.169889076495-0.1188591406140.5013172213260.183773926484-0.0582776756904-0.0231635932739-0.5458023553260.1070991490260.1972211425420.373868463769-0.00171551932684-0.01887512426940.726824811908-0.01234201548280.308891152808-1.2932489281810.2306997249-7.44143082517
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 52 through 64 )
2X-RAY DIFFRACTION2chain 'A' and (resid 65 through 95 )
3X-RAY DIFFRACTION3chain 'A' and (resid 96 through 180 )
4X-RAY DIFFRACTION4chain 'A' and (resid 181 through 211 )
5X-RAY DIFFRACTION5chain 'A' and (resid 212 through 241 )
6X-RAY DIFFRACTION6chain 'A' and (resid 242 through 267 )
7X-RAY DIFFRACTION7chain 'A' and (resid 268 through 311 )
8X-RAY DIFFRACTION8chain 'A' and (resid 312 through 347 )
9X-RAY DIFFRACTION9chain 'B' and (resid 3 through 9 )
10X-RAY DIFFRACTION10chain 'B' and (resid 10 through 19 )
11X-RAY DIFFRACTION11chain 'B' and (resid 20 through 30 )
12X-RAY DIFFRACTION12chain 'B' and (resid 31 through 39 )
13X-RAY DIFFRACTION13chain 'B' and (resid 40 through 51 )
14X-RAY DIFFRACTION14chain 'B' and (resid 52 through 73 )
15X-RAY DIFFRACTION15chain 'B' and (resid 74 through 83 )
16X-RAY DIFFRACTION16chain 'B' and (resid 84 through 127 )

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