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- PDB-4wfg: Human TRAAK K+ channel in a Tl+ bound conductive conformation -

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Basic information

Entry
Database: PDB / ID: 4wfg
TitleHuman TRAAK K+ channel in a Tl+ bound conductive conformation
Components
  • (ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT ...) x 2
  • Potassium channel subfamily K member 4
KeywordsMETAL TRANSPORT / Mechanosensitive ion channel / two-pore domain potassium ion channel / membrane protein
Function / homology
Function and homology information


mechanosensitive potassium channel activity / TWIK related potassium channel (TREK) / temperature-gated cation channel activity / sensory perception of temperature stimulus / detection of mechanical stimulus involved in sensory perception of touch / Phase 4 - resting membrane potential / potassium channel complex / cellular response to alkaline pH / stabilization of membrane potential / potassium ion leak channel activity ...mechanosensitive potassium channel activity / TWIK related potassium channel (TREK) / temperature-gated cation channel activity / sensory perception of temperature stimulus / detection of mechanical stimulus involved in sensory perception of touch / Phase 4 - resting membrane potential / potassium channel complex / cellular response to alkaline pH / stabilization of membrane potential / potassium ion leak channel activity / cellular response to temperature stimulus / outward rectifier potassium channel activity / cellular response to fatty acid / potassium channel activity / potassium ion transmembrane transport / sensory perception of pain / potassium ion transport / memory / cellular response to mechanical stimulus / identical protein binding / plasma membrane
Similarity search - Function
Two pore domain potassium channel, TRAAK / Two pore domain potassium channel / Helix Hairpins - #70 / Potassium channel domain / Ion channel / Helix Hairpins / Immunoglobulins / Immunoglobulin-like / Sandwich / Orthogonal Bundle ...Two pore domain potassium channel, TRAAK / Two pore domain potassium channel / Helix Hairpins - #70 / Potassium channel domain / Ion channel / Helix Hairpins / Immunoglobulins / Immunoglobulin-like / Sandwich / Orthogonal Bundle / Mainly Beta / Mainly Alpha
Similarity search - Domain/homology
THALLIUM (I) ION / Potassium channel subfamily K member 4
Similarity search - Component
Biological speciesHomo sapiens (human)
Mus musculus (house mouse)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3 Å
AuthorsBrohawn, S.G. / MacKinnon, R.
CitationJournal: Nature / Year: 2014
Title: Physical mechanism for gating and mechanosensitivity of the human TRAAK K+ channel.
Authors: Brohawn, S.G. / Campbell, E.B. / MacKinnon, R.
History
DepositionSep 15, 2014Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 3, 2014Provider: repository / Type: Initial release
Revision 1.1Dec 17, 2014Group: Database references
Revision 1.2Sep 27, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description / Source and taxonomy / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / database_2 / entity_src_gen / pdbx_database_status / pdbx_initial_refinement_model / pdbx_struct_conn_angle / pdbx_struct_oper_list / refine_hist / struct_conn / struct_keywords / struct_ncs_dom_lim
Item: _citation.journal_id_CSD / _database_2.pdbx_DOI ..._citation.journal_id_CSD / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity_src_gen.pdbx_alt_source_flag / _pdbx_database_status.pdb_format_compatible / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_symmetry / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _pdbx_struct_oper_list.symmetry_operation / _refine_hist.number_atoms_solvent / _refine_hist.pdbx_number_atoms_ligand / _refine_hist.pdbx_number_atoms_nucleic_acid / _refine_hist.pdbx_number_atoms_protein / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn.ptnr2_symmetry / _struct_keywords.text / _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 1.3Oct 30, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Potassium channel subfamily K member 4
B: Potassium channel subfamily K member 4
D: ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT LIGHT CHAIN
E: ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT HEAVY CHAIN
F: ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT LIGHT CHAIN
G: ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT HEAVY CHAIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)159,92017
Polymers158,1656
Non-polymers1,75511
Water3,423190
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)80.798, 138.760, 96.317
Angle α, β, γ (deg.)90.00, 94.52, 90.00
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
12D
22F
13E
23G

NCS domain segments:

Component-ID: _ / Refine code: _

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ARGARGVALVALAA28 - 28628 - 286
21ARGARGVALVALBB28 - 28628 - 286
12GLNGLNASNASNDC1 - 2111 - 211
22GLNGLNASNASNFE1 - 2111 - 211
13GLUGLUPROPROED1 - 2151 - 215
23GLUGLUPROPROGF1 - 2151 - 215

NCS ensembles :
ID
1
2
3

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Components

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Protein , 1 types, 2 molecules AB

#1: Protein Potassium channel subfamily K member 4 / TWIK-related arachidonic acid-stimulated potassium channel protein / TRAAK / Two pore potassium ...TWIK-related arachidonic acid-stimulated potassium channel protein / TRAAK / Two pore potassium channel KT4.1 / Two pore K(+) channel KT4.1


Mass: 32569.650 Da / Num. of mol.: 2 / Mutation: N104Q, N108Q
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: KCNK4, TRAAK / Production host: Komagataella pastoris (fungus) / References: UniProt: Q9NYG8

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Antibody , 2 types, 4 molecules DFEG

#2: Antibody ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT LIGHT CHAIN


Mass: 23038.404 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Production host: Mus musculus (house mouse)
#3: Antibody ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT HEAVY CHAIN


Mass: 23474.381 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Production host: Mus musculus (house mouse)

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Non-polymers , 3 types, 201 molecules

#4: Chemical
ChemComp-TL / THALLIUM (I) ION


Mass: 204.383 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Tl
#5: Chemical ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Ca
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 190 / Source method: isolated from a natural source / Formula: H2O

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Details

Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

CrystalDensity Matthews: 3.4 Å3/Da / Density % sol: 63.86 %
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop / pH: 8.8
Details: 50 MM TRIS PH 8.8, 200 MM CA(NO3)2, 27-30%(VOL/VOL) PEG400, 52 MM TRICHLOROETHANOL
PH range: 8-9

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.9781 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Apr 19, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9781 Å / Relative weight: 1
ReflectionResolution: 3→48 Å / Num. obs: 40099 / % possible obs: 99.6 % / Redundancy: 5.6 % / Net I/σ(I): 14.7
Reflection shellResolution: 3→3.05 Å / Redundancy: 5.7 % / Mean I/σ(I) obs: 0.9 / % possible all: 99.7

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Processing

SoftwareName: REFMAC / Version: 5.8.0073 / Classification: refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4I9w
Resolution: 3→48 Å / Cor.coef. Fo:Fc: 0.91 / Cor.coef. Fo:Fc free: 0.916 / SU B: 43.04 / SU ML: 0.376 / Cross valid method: THROUGHOUT / ESU R Free: 0.371 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.2363 2130 5 %RANDOM
Rwork0.2022 ---
obs0.20395 40099 99.5 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 108.712 Å2
Baniso -1Baniso -2Baniso -3
1--0.97 Å20 Å22.89 Å2
2---3.86 Å20 Å2
3---4.32 Å2
Refinement stepCycle: 1 / Resolution: 3→48 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10398 0 11 190 10599
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0060.0210670
X-RAY DIFFRACTIONr_bond_other_d0.0010.029942
X-RAY DIFFRACTIONr_angle_refined_deg0.8981.9514534
X-RAY DIFFRACTIONr_angle_other_deg0.611322938
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.61451341
X-RAY DIFFRACTIONr_dihedral_angle_2_deg33.16223.704405
X-RAY DIFFRACTIONr_dihedral_angle_3_deg15.275151692
X-RAY DIFFRACTIONr_dihedral_angle_4_deg18.2811542
X-RAY DIFFRACTIONr_chiral_restr0.0550.21661
X-RAY DIFFRACTIONr_gen_planes_refined0.0050.02111903
X-RAY DIFFRACTIONr_gen_planes_other0.0020.022417
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it3.9465.2325394
X-RAY DIFFRACTIONr_mcbond_other3.9465.2325393
X-RAY DIFFRACTIONr_mcangle_it6.027.856725
X-RAY DIFFRACTIONr_mcangle_other6.027.856726
X-RAY DIFFRACTIONr_scbond_it4.4745.5995276
X-RAY DIFFRACTIONr_scbond_other4.4735.65277
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_scangle_other6.888.2547810
X-RAY DIFFRACTIONr_long_range_B_refined10.52550.41744033
X-RAY DIFFRACTIONr_long_range_B_other10.51550.37143965
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-IDDom-IDAuth asym-IDNumberRms dev position (Å)
11A128870.15
12B128870.15
21D109780.12
22F109780.12
31E113450.11
32G113450.11
LS refinement shellResolution: 3→3.078 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.379 172 -
Rwork0.386 2940 -
obs--99.17 %
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
14.2915-1.1235-3.72390.34710.73465.17260.41510.40980.1537-0.127-0.14250.0644-0.5110.3281-0.27260.5513-0.04890.19090.32560.08150.600844.264-5.83510.095
20.5369-0.32370.31280.2791-0.946611.10080.1260.7721-0.2249-0.3153-0.45340.17760.98280.58890.32741.5530.07580.12291.1377-0.22290.907649.951-20.415-20.775
37.3772-0.8321-1.64337.7051-1.37475.5835-0.25760.801-0.8072-0.74180.11610.12730.986-0.58670.14150.80710.0511-0.05440.7405-0.10230.581645.668-16.753-6.594
44.2062-0.5715-3.5921.1668-0.90295.87260.44730.45730.2438-0.2544-0.1785-0.0069-0.53210.3732-0.26880.4675-0.070.12080.4712-0.01850.48447.875-10.1557.327
52.79-1.4142.46548.1678-3.983.1981-0.50980.0033-0.06580.20110.74520.1257-0.3719-0.3023-0.23551.31270.06850.06261.5139-0.13811.445692.149-4.559-4.801
67.80512.06430.74684.6078-2.30056.60460.49540.08040.8497-0.0344-0.2391-1.06-0.90381.2097-0.25630.7989-0.13810.19220.91360.08540.887764.37-2.7275.524
74.4083-1.49750.70155.86560.24576.8217-0.16750.37090.3609-0.8357-0.40020.2766-0.9592-0.34290.56770.3970.0541-0.08070.07710.010.385514.17816.47627.064
86.09683.25396.17015.88825.31529.1882-0.03820.60440.1561-1.0939-0.0852-0.0468-0.73140.82830.12340.57710.1023-0.02430.19310.05040.628812.92746.38746.137
95.25321.55774.1446.64165.17087.93620.06390.65820.4101-0.5866-0.15030.0161-0.70610.55010.08640.61380.01230.06190.17150.05020.646113.41147.4646.114
103.7908-0.81060.46446.21333.70057.0208-0.19-0.12040.17820.3498-0.04520.2633-0.10520.36740.23530.10660.01480.10140.06730.04240.354124.9366.52745.274
111.3972-1.8229-1.78676.88673.57922.64370.1806-0.34480.0303-0.304-0.25780.188-0.27670.24390.07710.23980.03590.02820.2230.00330.340419.32522.13749.269
129.5398-4.7834-0.06736.06170.88052.12180.0679-0.50660.10820.0423-0.00220.4759-0.1055-0.0904-0.06570.3039-0.06590.02950.1272-0.06080.61247.3237.12758.26
136.3499-0.17110.02916.0538-2.28673.27880.089-0.212-0.48680.284-0.0617-0.33350.00880.0959-0.02730.10120.02120.07140.0274-0.00910.486729.728-34.98442.241
1413.3185.50326.19245.44322.48386.0560.29260.588-1.0705-0.52950.0979-0.20110.64970.0936-0.39040.4770.0845-0.02870.10680.15151.09598.795-63.20743.936
150.1351-0.69540.19423.9355-0.84792.79050.0867-0.0438-0.1538-0.03480.01060.75061.2945-0.0222-0.09730.9643-0.1182-0.09490.36680.02481.513111.876-72.05646.651
166.5592.6453-0.25787.3212-1.33033.4697-0.05070.2953-0.0828-0.01950.20110.5403-0.0038-0.1772-0.15040.11780.0420.05350.07710.05240.287611.773-25.2431.134
173.78082.6455-1.35565.6402-1.1871.1374-0.0479-0.0535-0.81740.00430.0020.02990.1353-0.21320.04590.0653-0.02530.04160.09970.06930.75045.005-45.08542.035
182.4311-0.55671.58454.1774-4.26156.6182-0.1623-0.3031-0.10360.00770.26150.22160.3745-0.4602-0.09920.3378-0.0268-0.00030.42650.04540.7016-3.539-55.61750.52
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A28 - 148
2X-RAY DIFFRACTION2A149 - 219
3X-RAY DIFFRACTION3A220 - 286
4X-RAY DIFFRACTION4B28 - 175
5X-RAY DIFFRACTION5B176 - 197
6X-RAY DIFFRACTION6B198 - 286
7X-RAY DIFFRACTION7D1 - 105
8X-RAY DIFFRACTION8D106 - 157
9X-RAY DIFFRACTION9D158 - 211
10X-RAY DIFFRACTION10E1 - 80
11X-RAY DIFFRACTION11E81 - 137
12X-RAY DIFFRACTION12E138 - 217
13X-RAY DIFFRACTION13F1 - 105
14X-RAY DIFFRACTION14F106 - 188
15X-RAY DIFFRACTION15F189 - 211
16X-RAY DIFFRACTION16G1 - 80
17X-RAY DIFFRACTION17G81 - 172
18X-RAY DIFFRACTION18G173 - 216

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