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- PDB-7pvh: Crystal structure of the folded domain of PorN -

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Basic information

Entry
Database: PDB / ID: 7pvh
TitleCrystal structure of the folded domain of PorN
ComponentsPor secretion system protein porN/gldN
KeywordsPROTEIN TRANSPORT / secretion system / Porphyromonas gingivalis
Function / homologyGliding motility associated protein GldN / Gliding motility associated protein GldN / Por secretion system protein porN/gldN
Function and homology information
Biological speciesPorphyromonas gingivalis (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2 Å
AuthorsFuchsbauer, O. / Roussel, A. / Leone, P.
Funding support France, 1items
OrganizationGrant numberCountry
Agence Nationale de la Recherche (ANR)ANR-20-CE11-0011-01 France
CitationJournal: J.Biol.Chem. / Year: 2022
Title: Structural and functional analyses of the Porphyromonas gingivalis type IX secretion system PorN protein.
Authors: Fuchsbauer, O. / Lunar Silva, I. / Cascales, E. / Roussel, A. / Leone, P.
History
DepositionOct 4, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0May 18, 2022Provider: repository / Type: Initial release
Revision 1.1May 31, 2023Group: Database references / Refinement description
Category: citation / citation_author / pdbx_refine_tls_group
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _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 / _pdbx_refine_tls_group.selection_details
Revision 1.2Oct 16, 2024Group: Data collection / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_entry_details / pdbx_modification_feature
Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Por secretion system protein porN/gldN
B: Por secretion system protein porN/gldN


Theoretical massNumber of molelcules
Total (without water)57,8532
Polymers57,8532
Non-polymers00
Water3,837213
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: light scattering
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2610 Å2
ΔGint-1 kcal/mol
Surface area19880 Å2
Unit cell
Length a, b, c (Å)47.731, 132.538, 133.739
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number20
Space group name H-MC2221

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Components

#1: Protein Por secretion system protein porN/gldN


Mass: 28926.662 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Porphyromonas gingivalis (strain ATCC 33277 / DSM 20709 / CIP 103683 / JCM 12257 / NCTC 11834 / 2561) (bacteria)
Strain: ATCC 33277 / DSM 20709 / CIP 103683 / JCM 12257 / NCTC 11834 / 2561
Gene: porN, PGN_1673 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: B2RLE7
#2: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 213 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN
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

Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 33 mM Tris pH 8.5, 6.66% PEG 1000, 15.27% PEG 6000, 0.66 M citric acid pH 4.14

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID30B / Wavelength: 0.9677 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Nov 29, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9677 Å / Relative weight: 1
ReflectionResolution: 2→47 Å / Num. obs: 29165 / % possible obs: 98.3 % / Redundancy: 4 % / CC1/2: 0.998 / Net I/σ(I): 1.5
Reflection shellResolution: 2→2.11 Å / Num. unique obs: 16566 / CC1/2: 0.61

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Processing

Software
NameVersionClassification
BUSTER2.10.3refinement
PDB_EXTRACT3.27data extraction
XDSdata reduction
SCALAdata scaling
autoSHARPphasing
RefinementMethod to determine structure: SAD / Resolution: 2→42.57 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.937 / SU R Cruickshank DPI: 0.19 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.196 / SU Rfree Blow DPI: 0.16 / SU Rfree Cruickshank DPI: 0.159
RfactorNum. reflection% reflectionSelection details
Rfree0.228 1466 5.13 %RANDOM
Rwork0.196 ---
obs0.198 28568 98 %-
Displacement parametersBiso max: 159.61 Å2 / Biso mean: 57.65 Å2 / Biso min: 24.39 Å2
Baniso -1Baniso -2Baniso -3
1--3.757 Å20 Å20 Å2
2--7.6965 Å20 Å2
3----3.9395 Å2
Refine analyzeLuzzati coordinate error obs: 0.26 Å
Refinement stepCycle: final / Resolution: 2→42.57 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3220 0 0 216 3436
Biso mean---56.07 -
Num. residues----384
Refine LS restraints
Refine-IDTypeNumberRestraint functionWeightDev ideal
X-RAY DIFFRACTIONt_dihedral_angle_d1144SINUSOIDAL2
X-RAY DIFFRACTIONt_trig_c_planes96HARMONIC2
X-RAY DIFFRACTIONt_gen_planes469HARMONIC5
X-RAY DIFFRACTIONt_it3306HARMONIC20
X-RAY DIFFRACTIONt_nbd
X-RAY DIFFRACTIONt_improper_torsion
X-RAY DIFFRACTIONt_pseud_angle
X-RAY DIFFRACTIONt_chiral_improper_torsion418SEMIHARMONIC5
X-RAY DIFFRACTIONt_sum_occupancies
X-RAY DIFFRACTIONt_utility_distance
X-RAY DIFFRACTIONt_utility_angle
X-RAY DIFFRACTIONt_utility_torsion
X-RAY DIFFRACTIONt_ideal_dist_contact3792SEMIHARMONIC4
X-RAY DIFFRACTIONt_bond_d3306HARMONIC20.009
X-RAY DIFFRACTIONt_angle_deg4487HARMONIC20.94
X-RAY DIFFRACTIONt_omega_torsion2.96
X-RAY DIFFRACTIONt_other_torsion16.81
LS refinement shellResolution: 2→2.08 Å / Rfactor Rfree error: 0 / Total num. of bins used: 14
RfactorNum. reflection% reflection
Rfree0.2429 144 4.75 %
Rwork0.2281 2889 -
all0.2288 3033 -
obs--99.8 %
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)
100.19040.73483.67030.43186.524-0.2546-0.2750.09860.36050.2923-0.48220.03390.785-0.0376-0.0447-0.0944-0.06680.04650.0184-0.178717.921330.561627.3936
213.6851-8.1052-7.027215.7888-1.358711.12010.1387-0.90010.35660.20590.1820.7154-0.8478-0.7718-0.3207-0.0170.00850.07330.0365-0.0816-0.1165-1.588538.037223.0031
31.1002-0.90910.90160.7947-2.267912.1665-0.066-0.23530.28870.12910.01470.4254-0.4811-0.59030.0513-0.1020.0244-0.0202-0.1121-0.0048-0.0702-3.309138.659112.7739
47.20410.54175.29958.87674.07680.7028-0.05330.69090.6542-0.2123-0.00770.463-0.58780.26470.0610.25470.024-0.09360.04660.06750.103-2.941342.34994.2412
56.165-1.7468-2.423.32224.86076.1164-0.02030.14180.0887-0.21050.04540.1677-0.2112-0.1059-0.0251-0.0883-0.0447-0.0412-0.07050.0188-0.16894.220332.17135.0476
61.71490.1298-0.02374.4808-1.08164.23930.06170.081-0.4738-0.0716-0.11-0.05780.58890.23820.0483-0.11450.0021-0.0311-0.08740.016-0.082713.618822.693711.9848
79.2961-6.6715.03154.7723-2.51931.0932-0.03490.4856-0.069-0.1186-0.06360.0610.59630.53150.09850.00870.085-0.0649-0.0125-0.0272-0.04214.018319.15266.0144
80.15835.2414-9.15096.5712-10.839310.53830.1839-0.0462-1.00640.63280.0358-0.36310.76330.5244-0.21970.09310.0013-0.1319-0.0567-0.03850.03532.813817.9194.1396
95.9908-0.55094.41996.09054.325600.19240.2697-0.49860.31530.02870.30830.0696-0.7713-0.221-0.048-0.0067-0.0816-0.1253-0.0332-0.0996-2.386521.9807-2.2213
100.0156-3.7598-9.35638.1623-7.10312.6551-0.16510.6911-0.1676-0.53140.3991-0.6376-0.65430.9967-0.23390.0051-0.0964-0.01090.2332-0.0263-0.00256.803127.7896-8.3632
111.70990.76910.91851.43591.17851.33930.1489-0.1701-0.13210.0921-0.14890.09910.0093-0.28590-0.1346-0.0054-0.0071-0.10180.0019-0.1716-0.243929.03929.5236
123.7283-4.26986.766810.14860.51278.1989-0.0189-0.05370.5140.36350.1291-0.7395-0.06540.721-0.1101-0.1289-0.127-0.08830.01820.0063-0.169622.669535.210726.8901
130.1294-0.8845-0.90853.28940.32073.7266-0.1229-0.15090.23540.39860.1212-0.606-0.53640.73510.00170.0715-0.1397-0.16540.07810.0195-0.004919.047336.473823.6228
146.822912.06490.49610.2456-3.74670.74570.11230.1732-0.8515-0.0702-0.04631.14060.52360.0864-0.0660.243-0.09460.02920.1002-0.09460.7104-8.17318.029214.5576
153.1871.5682.19950.59552.59830.0034-0.1043-0.5299-0.620.20910.12880.95560.4018-0.1174-0.02450.0098-0.04170.1134-0.0440.05310.2483-3.884919.152118.5598
161.25580.4781-0.92612.9097-1.31162.07840.1138-0.0573-0.12590.1702-0.0844-0.105-0.15250.0674-0.0294-0.0855-0.0517-0.0382-0.0679-0.0041-0.163312.420633.566910.1965
1713.4745.0871-5.58236.53967.25258.63290.36690.39060.47110.2715-0.52341.324-0.7731-0.60990.15650.08350.03160.1241-0.179-0.0097-0.03614.494248.724814.9502
182.6091.1741-1.38073.7548-2.75894.46950.2583-0.13440.3338-0.0065-0.16190.0468-0.3272-0.0541-0.0964-0.0229-0.05640.019-0.1883-0.0283-0.18539.053546.267116.89
1900.30350.64656.3533-1.54865.25510.0754-0.5260.08910.9873-0.1197-0.1419-0.19660.32290.0443-0.026-0.1137-0.0228-0.03520.0302-0.22849.485530.431528.891
204.9068-9.4157-0.00382.72524.03581.0844-0.05760.1055-0.4698-0.0649-0.0592-0.70960.2380.60910.11670.1444-0.0212-0.11830.22350.04690.215127.375424.431127.2283
212.50260.4633-1.66271.0561-2.24710.02250.0650.22990.0282-0.1086-0.05730.03360.0832-0.1847-0.00780.0649-0.2476-0.17080.12690.33940.3415-19.4589-2.23230.5141
227.94845.8962-4.55747.6903-1.948800.071-0.63571.9635-0.1371-0.09431.481-0.4407-0.98860.0233-0.3549-0.06520.1731-0.5467-0.21540.1406-10.74863.301617.134
2310.445-16.7844-5.41136.4578-6.39877.76220.0371-0.4140.54460.22470.1245-0.1218-0.3671-0.1811-0.16160.1562-0.71090.33540.1915-0.3213-0.0469-10.2259-1.971528.5372
247.7852-0.9949-5.402307.194610.16810.393-1.5015-0.86651.0494-0.6603-0.66091.39110.1640.26740.561-0.38150.0315-0.06130.22950.02163.6258-6.276729.2424
254.91596.73321.95965.62452.66154.38340.33810.1586-0.92170.44090.0373-1.07971.01070.3652-0.3754-0.08310.05860.0345-0.36340.00630.00848.0089-2.982118.8805
264.33673.83573.58147.4193-4.75469.7705-0.39350.57750.5014-1.26120.29850.2533-0.44010.12150.0949-0.0013-0.14450.0685-0.19770.0008-0.05732.0565.15547.5861
272.86172.42056.79521.0216-0.48549.9226-0.30220.7055-0.3068-1.04290.1625-0.46060.14010.11260.13970.0718-0.14160.1673-0.0404-0.0258-0.09459.93886.99517.83
285.02822.6347-0.36349.3177-2.31040.68850.03320.17830.05120.13520.2571-0.1427-0.23660.5744-0.2904-0.2594-0.0230.0605-0.29260.0662-0.056512.841810.348819.7468
290.001-3.45858.84710.8138-9.09053.20150.0719-0.083-0.81430.19340.1566-0.36850.43190.5086-0.2285-0.233-0.00330.1193-0.022-0.11350.381822.85813.224620.3999
300.0123-12.0205-1.97560-1.31070-0.00320.2572-0.67810.14560.1055-0.44250.56580.395-0.10230.01220.17270.07680.0307-0.10490.531221.1638-2.345816.1972
317.22156.81550.77077.24441.74616.44970.4772-0.99380.29050.9018-0.88620.19450.33260.04260.409-0.1656-0.10440.1513-0.3919-0.0106-0.1813.93663.135724.1347
322.67466.36624.58943.44025.249314.6527-0.06190.02210.383-0.07360.0270.2188-0.037-0.50820.0349-0.1364-0.119-0.0988-0.34870.13630.2732-14.0448-2.07277.4184
331.98911.2133.70720.1244-1.68550.5357-0.02060.2835-0.0338-0.14890.04810.11770.0286-0.2231-0.02760.5022-0.3353-0.26520.6880.06160.7828-25.6376-7.78474.6917
340.02742.11433.94430.05270.35880-0.05220.0576-0.0203-0.11570.20090.16130.1977-0.0543-0.1487-0.0588-0.1156-0.145-0.36030.04160.1851-12.1435-5.92248.9788
3505.49882.068211.66222.43441.0678-0.066-0.12790.09080.7653-0.34120.80840.11210.08720.4072-0.1438-0.04470.0785-0.2385-0.0630.00532.696212.477222.8655
360.93698.17335.61697.20351.50594.04620.1043-0.01850.4968-0.1141-0.43390.8481-0.2271-0.23340.3296-0.1149-0.07020.1265-0.2829-0.06750.02690.51898.18216.8883
3710.35399.1981-2.958910.0252.1534.58190.2808-0.1721-0.6576-0.202-0.0614-1.14680.38240.4307-0.2194-0.1511-0.02870.132-0.3704-0.05790.02391.0349-11.259514.4112
380-2.0134-3.53993.53489.85128.53740.0839-0.81720.41651.2992-0.13810.12490.00440.86780.05420.2916-0.2289-0.0650.1236-0.0033-0.0158-8.9008-17.162227.8743
390.88614.6438-0.88177.33515.334900.6831-0.54940.16480.304-0.6692-0.3106-0.28690.1462-0.014-0.058-0.15110.0872-0.2674-0.0062-0.1441-7.7975-12.05318.3053
400.7446-4.09420.409713.1754-0.66652.4011-0.03520.08230.8023-0.467-0.20180.7121-0.2453-0.74330.237-0.1183-0.1510.2102-0.1751-0.20980.6032-14.31433.869714.881
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1{ A|66 - A|76 }A66 - 76
2X-RAY DIFFRACTION2{ A|77 - A|82 }A77 - 82
3X-RAY DIFFRACTION3{ A|83 - A|92 }A83 - 92
4X-RAY DIFFRACTION4{ A|93 - A|97 }A93 - 97
5X-RAY DIFFRACTION5{ A|98 - A|109 }A98 - 109
6X-RAY DIFFRACTION6{ A|110 - A|124 }A110 - 124
7X-RAY DIFFRACTION7{ A|125 - A|132 }A125 - 132
8X-RAY DIFFRACTION8{ A|133 - A|138 }A133 - 138
9X-RAY DIFFRACTION9{ A|139 - A|147 }A139 - 147
10X-RAY DIFFRACTION10{ A|148 - A|153 }A148 - 153
11X-RAY DIFFRACTION11{ A|154 - A|172 }A154 - 172
12X-RAY DIFFRACTION12{ A|173 - A|178 }A173 - 178
13X-RAY DIFFRACTION13{ A|179 - A|194 }A179 - 194
14X-RAY DIFFRACTION14{ A|195 - A|202 }A195 - 202
15X-RAY DIFFRACTION15{ A|203 - A|207 }A203 - 207
16X-RAY DIFFRACTION16{ A|208 - A|223 }A208 - 223
17X-RAY DIFFRACTION17{ A|224 - A|231 }A224 - 231
18X-RAY DIFFRACTION18{ A|232 - A|248 }A232 - 248
19X-RAY DIFFRACTION19{ A|249 - A|255 }A249 - 255
20X-RAY DIFFRACTION20{ A|256 - A|260 }A256 - 260
21X-RAY DIFFRACTION21{ B|68 - B|70 }B68 - 70
22X-RAY DIFFRACTION22{ B|71 - B|78 }B71 - 78
23X-RAY DIFFRACTION23{ B|79 - B|83 }B79 - 83
24X-RAY DIFFRACTION24{ B|84 - B|97 }B84 - 97
25X-RAY DIFFRACTION25{ B|98 - B|109 }B98 - 109
26X-RAY DIFFRACTION26{ B|110 - B|124 }B110 - 124
27X-RAY DIFFRACTION27{ B|125 - B|135 }B125 - 135
28X-RAY DIFFRACTION28{ B|136 - B|142 }B136 - 142
29X-RAY DIFFRACTION29{ B|143 - B|147 }B143 - 147
30X-RAY DIFFRACTION30{ B|148 - B|155 }B148 - 155
31X-RAY DIFFRACTION31{ B|156 - B|171 }B156 - 171
32X-RAY DIFFRACTION32{ B|172 - B|176 }B172 - 176
33X-RAY DIFFRACTION33{ B|177 - B|184 }B177 - 184
34X-RAY DIFFRACTION34{ B|185 - B|189 }B185 - 189
35X-RAY DIFFRACTION35{ B|190 - B|203 }B190 - 203
36X-RAY DIFFRACTION36{ B|204 - B|213 }B204 - 213
37X-RAY DIFFRACTION37{ B|214 - B|226 }B214 - 226
38X-RAY DIFFRACTION38{ B|227 - B|235 }B227 - 235
39X-RAY DIFFRACTION39{ B|236 - B|247 }B236 - 247
40X-RAY DIFFRACTION40{ B|248 - B|256 }B248 - 256

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