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- PDB-8p8h: Crystal structure of HHD2 domain of hRTEL1 -

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Basic information

Entry
Database: PDB / ID: 8p8h
TitleCrystal structure of HHD2 domain of hRTEL1
ComponentsRegulator of telomere elongation helicase 1
KeywordsDNA BINDING PROTEIN / Helicase / HHD2 domain
Function / homology
Function and homology information


DNA strand displacement / telomeric loop disassembly / negative regulation of telomere maintenance in response to DNA damage / positive regulation of telomeric loop disassembly / positive regulation of telomere maintenance via telomere lengthening / negative regulation of t-circle formation / Cytosolic iron-sulfur cluster assembly / telomere maintenance in response to DNA damage / mitotic telomere maintenance via semi-conservative replication / negative regulation of DNA recombination ...DNA strand displacement / telomeric loop disassembly / negative regulation of telomere maintenance in response to DNA damage / positive regulation of telomeric loop disassembly / positive regulation of telomere maintenance via telomere lengthening / negative regulation of t-circle formation / Cytosolic iron-sulfur cluster assembly / telomere maintenance in response to DNA damage / mitotic telomere maintenance via semi-conservative replication / negative regulation of DNA recombination / positive regulation of telomere maintenance / Telomere Extension By Telomerase / Resolution of D-loop Structures through Synthesis-Dependent Strand Annealing (SDSA) / DNA duplex unwinding / regulation of double-strand break repair via homologous recombination / replication fork processing / positive regulation of telomere capping / DNA polymerase binding / DNA helicase activity / telomere maintenance / 4 iron, 4 sulfur cluster binding / chromosome, telomeric region / nuclear membrane / DNA helicase / nuclear speck / DNA repair / ATP hydrolysis activity / DNA binding / nucleoplasm / ATP binding / nucleus / metal ion binding
Similarity search - Function
Regulator of telomere elongation helicase 1 / : / ATP-dependent helicase Rad3/Chl1-like / Helicase superfamily 1/2, DinG/Rad3-like / Helicase-like, DEXD box c2 type / ATP-dependent helicase, C-terminal / DEAD2 / Helicase superfamily 1/2, ATP-binding domain, DinG/Rad3-type / DEAD_2 / Helicase C-terminal domain ...Regulator of telomere elongation helicase 1 / : / ATP-dependent helicase Rad3/Chl1-like / Helicase superfamily 1/2, DinG/Rad3-like / Helicase-like, DEXD box c2 type / ATP-dependent helicase, C-terminal / DEAD2 / Helicase superfamily 1/2, ATP-binding domain, DinG/Rad3-type / DEAD_2 / Helicase C-terminal domain / Superfamilies 1 and 2 helicase ATP-binding type-2 domain profile. / DEXDc2 / HELICc2 / P-loop containing nucleoside triphosphate hydrolase
Similarity search - Domain/homology
Regulator of telomere elongation helicase 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å
AuthorsHegde, R.P. / Kanade, M. / Cortone, G. / Graewert, M. / Longo, A. / Gonzalez, A. / Chaves-Arquero, B. / Blanco, F.J. / Napolitano, L.M.R. / Onesti, S.
Funding support Italy, European Union, 2items
OrganizationGrant numberCountry
Other governmentIG 20778 Italy
Other government859853European Union
CitationJournal: To Be Published
Title: Crystal structure of HHD2 domain of hRTEL1
Authors: Hegde, R.P. / Kanade, M. / Cortone, G. / Graewert, M. / Longo, A. / Gonzalez, A. / Chaves-Arquero, B. / Blanco, F.J. / Napolitano, L.M.R. / Onesti, S.
History
DepositionJun 1, 2023Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 12, 2024Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Regulator of telomere elongation helicase 1
B: Regulator of telomere elongation helicase 1
C: Regulator of telomere elongation helicase 1
D: Regulator of telomere elongation helicase 1
E: Regulator of telomere elongation helicase 1
F: Regulator of telomere elongation helicase 1
G: Regulator of telomere elongation helicase 1


Theoretical massNumber of molelcules
Total (without water)73,8997
Polymers73,8997
Non-polymers00
Water1,08160
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)65.590, 60.680, 79.530
Angle α, β, γ (deg.)90.000, 96.130, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21A
32A
42A
53A
63A
74A
84A
95A
105A
116A
126A
137A
147A
158A
168A
179A
189A
1910A
2010A
2111A
2211A
2312A
2412A
2513A
2613A
2714A
2814A
2915A
3015A
3116A
3216A
3317A
3417A
3518A
3618A
3719A
3819A
3920A
4020A
4121A
4221A

NCS domain segments:
Dom-IDComponent-IDEns-IDAuth asym-IDAuth seq-ID
111A7 - 82
211A7 - 82
322A7 - 83
422A7 - 83
533A7 - 83
633A7 - 83
744A7 - 82
844A7 - 82
955A7 - 83
1055A7 - 83
1166A7 - 83
1266A7 - 83
1377A6 - 82
1477A6 - 82
1588A6 - 82
1688A6 - 82
1799A6 - 82
1899A6 - 82
191010A6 - 82
201010A6 - 82
211111A6 - 82
221111A6 - 82
231212A6 - 84
241212A6 - 84
251313A6 - 82
261313A6 - 82
271414A6 - 83
281414A6 - 83
291515A6 - 83
301515A6 - 83
311616A6 - 82
321616A6 - 82
331717A6 - 83
341717A6 - 83
351818A6 - 83
361818A6 - 83
371919A6 - 82
381919A6 - 82
392020A6 - 82
402020A6 - 82
412121A6 - 85
422121A6 - 85

NCS ensembles :
IDDetails
1Local NCS retraints between domains: 1 2
2Local NCS retraints between domains: 3 4
3Local NCS retraints between domains: 5 6
4Local NCS retraints between domains: 7 8
5Local NCS retraints between domains: 9 10
6Local NCS retraints between domains: 11 12
7Local NCS retraints between domains: 13 14
8Local NCS retraints between domains: 15 16
9Local NCS retraints between domains: 17 18
10Local NCS retraints between domains: 19 20
11Local NCS retraints between domains: 21 22
12Local NCS retraints between domains: 23 24
13Local NCS retraints between domains: 25 26
14Local NCS retraints between domains: 27 28
15Local NCS retraints between domains: 29 30
16Local NCS retraints between domains: 31 32
17Local NCS retraints between domains: 33 34
18Local NCS retraints between domains: 35 36
19Local NCS retraints between domains: 37 38
20Local NCS retraints between domains: 39 40
21Local NCS retraints between domains: 41 42

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Components

#1: Protein
Regulator of telomere elongation helicase 1 / Novel helicase-like


Mass: 10557.053 Da / Num. of mol.: 7
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: RTEL1, C20orf41, KIAA1088, NHL / Production host: Escherichia coli B (bacteria) / References: UniProt: Q9NZ71, DNA helicase
#2: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 60 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.13 Å3/Da / Density % sol: 42.24 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / Details: 0.1 M CHES pH 9.5, 30% PEG 3000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ELETTRA / Beamline: 11.2C / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Nov 26, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.3→50 Å / Num. obs: 27255 / % possible obs: 97.9 % / Redundancy: 6 % / CC1/2: 0.997 / Net I/σ(I): 10.53
Reflection shellResolution: 2.3→2.44 Å / Mean I/σ(I) obs: 1.99 / Num. unique obs: 4294 / CC1/2: 0.836 / % possible all: 96.2

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Processing

Software
NameVersionClassification
REFMAC5.8.0403refinement
XDSdata reduction
XDSdata scaling
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.3→48.14 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.928 / SU B: 19.306 / SU ML: 0.218 / Cross valid method: FREE R-VALUE / ESU R: 0.353 / ESU R Free: 0.246
Details: Hydrogens have been added in their riding positions
RfactorNum. reflection% reflection
Rfree0.257 1363 5.002 %
Rwork0.2142 25886 -
all0.216 --
obs-27249 97.849 %
Solvent computationIon probe radii: 0.9 Å / Shrinkage radii: 0.9 Å / VDW probe radii: 1.3 Å / Solvent model: MASK BULK SOLVENT
Displacement parametersBiso mean: 47.233 Å2
Baniso -1Baniso -2Baniso -3
1-1.476 Å2-0 Å21.373 Å2
2---0.901 Å20 Å2
3----0.85 Å2
Refinement stepCycle: LAST / Resolution: 2.3→48.14 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4188 0 0 60 4248
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0120.0124301
X-RAY DIFFRACTIONr_bond_other_d0.0010.0164079
X-RAY DIFFRACTIONr_angle_refined_deg1.8871.6515840
X-RAY DIFFRACTIONr_angle_other_deg0.6241.5859362
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.1165552
X-RAY DIFFRACTIONr_dihedral_angle_2_deg9.701527
X-RAY DIFFRACTIONr_dihedral_angle_3_deg15.47610681
X-RAY DIFFRACTIONr_dihedral_angle_6_deg17.23410177
X-RAY DIFFRACTIONr_chiral_restr0.0870.2692
X-RAY DIFFRACTIONr_gen_planes_refined0.010.025029
X-RAY DIFFRACTIONr_gen_planes_other0.0010.02967
X-RAY DIFFRACTIONr_nbd_refined0.2490.2970
X-RAY DIFFRACTIONr_symmetry_nbd_other0.1890.23325
X-RAY DIFFRACTIONr_nbtor_refined0.1840.22276
X-RAY DIFFRACTIONr_symmetry_nbtor_other0.0750.22394
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.1290.2102
X-RAY DIFFRACTIONr_symmetry_nbd_refined0.1750.27
X-RAY DIFFRACTIONr_nbd_other0.1990.275
X-RAY DIFFRACTIONr_symmetry_xyhbond_nbd_refined0.2660.22
X-RAY DIFFRACTIONr_mcbond_it2.2352.6272220
X-RAY DIFFRACTIONr_mcbond_other2.2322.6262219
X-RAY DIFFRACTIONr_mcangle_it3.4024.7052768
X-RAY DIFFRACTIONr_mcangle_other3.4024.7052769
X-RAY DIFFRACTIONr_scbond_it2.6692.9862081
X-RAY DIFFRACTIONr_scbond_other2.6692.9872082
X-RAY DIFFRACTIONr_scangle_it4.1765.3463072
X-RAY DIFFRACTIONr_scangle_other4.1755.3473073
X-RAY DIFFRACTIONr_lrange_it6.57632.36518280
X-RAY DIFFRACTIONr_lrange_other6.57632.36318263
X-RAY DIFFRACTIONr_ncsr_local_group_10.1040.052373
X-RAY DIFFRACTIONr_ncsr_local_group_20.0960.052387
X-RAY DIFFRACTIONr_ncsr_local_group_30.1030.052368
X-RAY DIFFRACTIONr_ncsr_local_group_40.10.052356
X-RAY DIFFRACTIONr_ncsr_local_group_50.0920.052414
X-RAY DIFFRACTIONr_ncsr_local_group_60.080.052453
X-RAY DIFFRACTIONr_ncsr_local_group_70.1090.052392
X-RAY DIFFRACTIONr_ncsr_local_group_80.0820.052439
X-RAY DIFFRACTIONr_ncsr_local_group_90.1130.052369
X-RAY DIFFRACTIONr_ncsr_local_group_100.0950.052410
X-RAY DIFFRACTIONr_ncsr_local_group_110.0990.052403
X-RAY DIFFRACTIONr_ncsr_local_group_120.1070.052378
X-RAY DIFFRACTIONr_ncsr_local_group_130.0980.052343
X-RAY DIFFRACTIONr_ncsr_local_group_140.0670.052412
X-RAY DIFFRACTIONr_ncsr_local_group_150.0820.052381
X-RAY DIFFRACTIONr_ncsr_local_group_160.110.052318
X-RAY DIFFRACTIONr_ncsr_local_group_170.0950.052381
X-RAY DIFFRACTIONr_ncsr_local_group_180.1120.052384
X-RAY DIFFRACTIONr_ncsr_local_group_190.1030.052339
X-RAY DIFFRACTIONr_ncsr_local_group_200.1040.052365
X-RAY DIFFRACTIONr_ncsr_local_group_210.0730.052499
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)Weight position
11AX-RAY DIFFRACTIONLocal ncs0.103990.05009
12AX-RAY DIFFRACTIONLocal ncs0.103990.05009
23AX-RAY DIFFRACTIONLocal ncs0.09590.05009
24AX-RAY DIFFRACTIONLocal ncs0.09590.05009
35AX-RAY DIFFRACTIONLocal ncs0.103020.05009
36AX-RAY DIFFRACTIONLocal ncs0.103020.05009
47AX-RAY DIFFRACTIONLocal ncs0.099660.05009
48AX-RAY DIFFRACTIONLocal ncs0.099660.05009
59AX-RAY DIFFRACTIONLocal ncs0.09240.05009
510AX-RAY DIFFRACTIONLocal ncs0.09240.05009
611AX-RAY DIFFRACTIONLocal ncs0.079840.05009
612AX-RAY DIFFRACTIONLocal ncs0.079840.05009
713AX-RAY DIFFRACTIONLocal ncs0.108750.05009
714AX-RAY DIFFRACTIONLocal ncs0.108750.05009
815AX-RAY DIFFRACTIONLocal ncs0.081920.05009
816AX-RAY DIFFRACTIONLocal ncs0.081920.05009
917AX-RAY DIFFRACTIONLocal ncs0.113410.05008
918AX-RAY DIFFRACTIONLocal ncs0.113410.05008
1019AX-RAY DIFFRACTIONLocal ncs0.095210.05009
1020AX-RAY DIFFRACTIONLocal ncs0.095210.05009
1121AX-RAY DIFFRACTIONLocal ncs0.098960.05009
1122AX-RAY DIFFRACTIONLocal ncs0.098960.05009
1223AX-RAY DIFFRACTIONLocal ncs0.106660.05009
1224AX-RAY DIFFRACTIONLocal ncs0.106660.05009
1325AX-RAY DIFFRACTIONLocal ncs0.09840.05009
1326AX-RAY DIFFRACTIONLocal ncs0.09840.05009
1427AX-RAY DIFFRACTIONLocal ncs0.066550.0501
1428AX-RAY DIFFRACTIONLocal ncs0.066550.0501
1529AX-RAY DIFFRACTIONLocal ncs0.082060.05009
1530AX-RAY DIFFRACTIONLocal ncs0.082060.05009
1631AX-RAY DIFFRACTIONLocal ncs0.110390.05008
1632AX-RAY DIFFRACTIONLocal ncs0.110390.05008
1733AX-RAY DIFFRACTIONLocal ncs0.095450.05009
1734AX-RAY DIFFRACTIONLocal ncs0.095450.05009
1835AX-RAY DIFFRACTIONLocal ncs0.111550.05009
1836AX-RAY DIFFRACTIONLocal ncs0.111550.05009
1937AX-RAY DIFFRACTIONLocal ncs0.102870.05009
1938AX-RAY DIFFRACTIONLocal ncs0.102870.05009
2039AX-RAY DIFFRACTIONLocal ncs0.104170.05009
2040AX-RAY DIFFRACTIONLocal ncs0.104170.05009
2141AX-RAY DIFFRACTIONLocal ncs0.072610.05009
2142AX-RAY DIFFRACTIONLocal ncs0.072610.05009
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRfactor allNum. reflection allFsc freeFsc work% reflection obs (%)WRfactor Rwork
2.3-2.360.288980.29718660.29720240.9450.94297.03560.265
2.36-2.4240.344960.2918150.29320150.9170.94794.83870.251
2.424-2.4940.32940.27117830.27419120.9440.95598.16950.233
2.494-2.5710.325910.25517390.25918720.9430.96197.75640.218
2.571-2.6550.291900.24416960.24618290.9470.96697.6490.204
2.655-2.7480.373860.24616380.25217680.9260.96697.51130.208
2.748-2.8510.255830.23815910.23917110.9620.96697.83750.201
2.851-2.9670.312810.22215260.22616320.9410.97198.46810.186
2.967-3.0980.253780.21814810.2215820.9640.97398.54610.189
3.098-3.2490.251730.21414020.21615010.960.97398.26780.192
3.249-3.4240.279710.22813440.23114400.9590.97198.26390.207
3.424-3.630.296680.20912780.21313690.9420.97698.31990.197
3.63-3.880.244630.20412030.20712900.9710.97898.13950.194
3.88-4.1880.194580.17411140.17511850.9750.98498.9030.164
4.188-4.5840.242550.16810370.17211030.9590.98499.00270.164
4.584-5.120.179490.1819360.18110030.9840.98298.20540.181
5.12-5.9010.308450.2238400.2278950.9610.97698.88270.212
5.901-7.20.277370.2587130.2597590.9440.9798.81420.238
7.2-10.070.182290.1555580.1565980.980.98798.16050.182
10.07-48.140.212180.2133260.2133570.9740.97296.35850.26
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)
11.67280.215-0.78656.4043-0.39730.7211-0.1266-0.5218-0.13790.34380.0835-0.0683-0.10880.42010.04320.12160.01620.03650.45210.00410.0756-9.51224.0497.083
21.83750.9312-0.69331.95910.53431.92210.090.12850.17020.0202-0.02360.0084-0.0358-0.1576-0.06640.02270.01470.0470.25920.00790.10128.912-0.48912.732
33.4209-0.8711-1.78261.1365-0.23912.88040.1776-0.6297-0.1937-0.3303-0.0280.118-0.42590.4809-0.14970.3149-0.01260.05660.3169-0.01070.079319.57929.46537.056
41.8629-0.816-0.25930.7368-0.11752.0758-0.20280.002-0.17520.25870.06060.15360.06010.14510.14210.15020.03140.12990.2534-0.02180.15091.15146.51426.572
55.03740.7846-1.07574.39792.55131.9798-0.4478-0.8169-0.6360.0626-0.05110.35210.21830.30410.49890.15640.18990.23380.49130.37050.400910.95815.89549.737
61.32611.04540.32663.2450.37571.67330.04410.12590.0106-0.0969-0.01140.1594-0.08860.0867-0.03270.0863-0.00530.08750.2462-0.00650.131221.55822.47617.23
73.1030.150.75032.0956-1.00412.81560.0274-0.2606-0.3278-0.2068-0.2231-0.2198-0.00280.00320.19570.0809-0.00770.07670.33030.04640.160939.49111.76613.034
Refinement TLS groupSelection: ALL

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