[English] 日本語
Yorodumi
- PDB-8cj8: Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 mutant ... -

+
Open data


ID or keywords:

Loading...

-
Basic information

Entry
Database: PDB / ID: 8cj8
TitleArabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 mutant A651V in complex with L-malate
ComponentsPhosphoenolpyruvate carboxylase 1
KeywordsPLANT PROTEIN / Phosphoenolpyruvate carboxylase / Citric acid cycle / TCA cycle / photosynthesis
Function / homology
Function and homology information


phosphoenolpyruvate carboxylase / phosphoenolpyruvate carboxylase activity / leaf development / carbon fixation / apoplast / cellular response to phosphate starvation / photosynthesis / tricarboxylic acid cycle / chloroplast / protein tetramerization ...phosphoenolpyruvate carboxylase / phosphoenolpyruvate carboxylase activity / leaf development / carbon fixation / apoplast / cellular response to phosphate starvation / photosynthesis / tricarboxylic acid cycle / chloroplast / protein tetramerization / nucleus / cytosol
Similarity search - Function
Phosphoenolpyruvate carboxylase, Lys active site / Phosphoenolpyruvate carboxylase / Phosphoenolpyruvate carboxylase, bacterial/plant-type / Phosphoenolpyruvate carboxylase, His active site / Phosphoenolpyruvate carboxylase / Phosphoenolpyruvate carboxylase active site 2. / Phosphoenolpyruvate carboxylase active site 1. / Pyruvate/Phosphoenolpyruvate kinase-like domain superfamily
Similarity search - Domain/homology
(2S)-2-hydroxybutanedioic acid / Phosphoenolpyruvate carboxylase 1
Similarity search - Component
Biological speciesArabidopsis thaliana (thale cress)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.48991836749 Å
AuthorsHaesaerts, S. / Loris, R. / Larsen, P.B.
Funding support United States, Belgium, 2items
OrganizationGrant numberCountry
United States Department of Agriculture (USDA)2021-67014-34888 United States
Research Foundation - Flanders (FWO)G011420N Belgium
CitationJournal: To Be Published
Title: Amino acid changes that deregulate PHOSPHOENOLPYRUVATE CARBOXYLASE in plants
Authors: Meyer, T.J. / Sheng, J. / Haesaerts, S. / Frausto, K. / O'Leary, S. / Loris, R. / Larsen, P.B.
History
DepositionFeb 12, 2023Deposition site: PDBE / Processing site: PDBE
Revision 1.0Feb 21, 2024Provider: repository / Type: Initial release

-
Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

-
Assembly

Deposited unit
A: Phosphoenolpyruvate carboxylase 1
B: Phosphoenolpyruvate carboxylase 1
C: Phosphoenolpyruvate carboxylase 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)335,22513
Polymers334,2793
Non-polymers94610
Water1448
1
A: Phosphoenolpyruvate carboxylase 1
B: Phosphoenolpyruvate carboxylase 1
hetero molecules

A: Phosphoenolpyruvate carboxylase 1
B: Phosphoenolpyruvate carboxylase 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)446,99018
Polymers445,7054
Non-polymers1,28514
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation10_665-x+1,-y+1,z1
2
C: Phosphoenolpyruvate carboxylase 1
hetero molecules

C: Phosphoenolpyruvate carboxylase 1
hetero molecules

C: Phosphoenolpyruvate carboxylase 1
hetero molecules

C: Phosphoenolpyruvate carboxylase 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)446,91916
Polymers445,7054
Non-polymers1,21512
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation8_666-y+1,-x+1,-z+11
crystal symmetry operation10_665-x+1,-y+1,z1
crystal symmetry operation15_556y,x,-z+11
Unit cell
Length a, b, c (Å)245.380, 245.380, 397.730
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number98
Space group name H-MI4122
Space group name HallI4bw2bw
Symmetry operation#1: x,y,z
#2: -y+1/2,x,z+3/4
#3: y+1/2,-x,z+3/4
#4: x+1/2,-y,-z+3/4
#5: -x+1/2,y,-z+3/4
#6: -x,-y,z
#7: y,x,-z
#8: -y,-x,-z
#9: x+1/2,y+1/2,z+1/2
#10: -y+1,x+1/2,z+5/4
#11: y+1,-x+1/2,z+5/4
#12: x+1,-y+1/2,-z+5/4
#13: -x+1,y+1/2,-z+5/4
#14: -x+1/2,-y+1/2,z+1/2
#15: y+1/2,x+1/2,-z+1/2
#16: -y+1/2,-x+1/2,-z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31

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
11LEULEUASPASP(chain 'A' and (resid 6 through 320 or resid 322...AA6 - 22413 - 231
22THRTHRGLUGLU(chain 'A' and (resid 6 through 320 or resid 322...AA229 - 320236 - 327
33LEULEUSERSER(chain 'A' and (resid 6 through 320 or resid 322...AA322 - 346329 - 353
14ALAALAHISHIS(chain 'A' and (resid 6 through 320 or resid 322...AA351 - 635358 - 642
25GLYGLYTRPTRP(chain 'A' and (resid 6 through 320 or resid 322...AA638 - 709645 - 716
36ALAALAGLUGLU(chain 'A' and (resid 6 through 320 or resid 322...AA711 - 847718 - 854
17LEULEUSERSER(chain 'A' and (resid 6 through 320 or resid 322...AA849 - 922856 - 929
28GLYGLYGLYGLY(chain 'A' and (resid 6 through 320 or resid 322...AA947 - 967954 - 974
39LEULEUASPASP(chain 'B' and (resid 6 through 175 or (resid 176...BB6 - 22413 - 231
110THRTHRGLUGLU(chain 'B' and (resid 6 through 175 or (resid 176...BB229 - 320236 - 327
211LEULEUSERSER(chain 'B' and (resid 6 through 175 or (resid 176...BB322 - 346329 - 353
312ALAALAHISHIS(chain 'B' and (resid 6 through 175 or (resid 176...BB351 - 635358 - 642
113GLYGLYTRPTRP(chain 'B' and (resid 6 through 175 or (resid 176...BB638 - 709645 - 716
214ALAALAGLUGLU(chain 'B' and (resid 6 through 175 or (resid 176...BB711 - 847718 - 854
315LEULEUSERSER(chain 'B' and (resid 6 through 175 or (resid 176...BB849 - 922856 - 929
116GLYGLYGLYGLY(chain 'B' and (resid 6 through 175 or (resid 176...BB947 - 967954 - 974
217LEULEUASPASP(chain 'C' and (resid 6 through 175 or (resid 176...CC6 - 22413 - 231
318THRTHRGLUGLU(chain 'C' and (resid 6 through 175 or (resid 176...CC229 - 320236 - 327
119LEULEUSERSER(chain 'C' and (resid 6 through 175 or (resid 176...CC322 - 346329 - 353
220ALAALAHISHIS(chain 'C' and (resid 6 through 175 or (resid 176...CC351 - 635358 - 642
321GLYGLYTRPTRP(chain 'C' and (resid 6 through 175 or (resid 176...CC638 - 709645 - 716
122ALAALAGLUGLU(chain 'C' and (resid 6 through 175 or (resid 176...CC711 - 847718 - 854
223LEULEUSERSER(chain 'C' and (resid 6 through 175 or (resid 176...CC849 - 922856 - 929
324GLYGLYGLYGLY(chain 'C' and (resid 6 through 175 or (resid 176...CC947 - 967954 - 974

-
Components

#1: Protein Phosphoenolpyruvate carboxylase 1 / AtPPC1 / PEPC 1 / PEPCase 1 / 107-kDa PEPC polypeptide


Mass: 111426.219 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Arabidopsis thaliana (thale cress) / Gene: PPC1, p107, At1g53310, F12M16.21 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: Q9MAH0, phosphoenolpyruvate carboxylase
#2: Chemical
ChemComp-LMR / (2S)-2-hydroxybutanedioic acid / L-Malate


Mass: 134.087 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C4H6O5 / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Formula: Cl
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 8 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY

-
Experimental details

-
Experiment

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

-
Sample preparation

CrystalDensity Matthews: 4.6 Å3/Da / Density % sol: 73.25 %
Crystal growTemperature: 293 K / Method: vapor diffusion / pH: 6.5 / Details: 30% w/v PEG400; 0,1M MES pH6,5; 0,1M NaAc

-
Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 1 / Wavelength: 0.981 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Apr 8, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.981 Å / Relative weight: 1
ReflectionResolution: 3.48991836749→49.71625 Å / Num. obs: 76655 / % possible obs: 99.5 % / Redundancy: 26.42 % / Biso Wilson estimate: 114.748850146 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.45 / Net I/σ(I): 5.32
Reflection shellResolution: 3.48991836749→3.7 Å / Redundancy: 24.7 % / Rmerge(I) obs: 2.716 / Num. unique obs: 11923 / CC1/2: 0.791 / % possible all: 79.5

-
Processing

Software
NameVersionClassification
PHENIX1.11.1_2575refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.48991836749→49.71625 Å / SU ML: 0.465311401768 / Cross valid method: FREE R-VALUE / σ(F): 1.32982694233 / Phase error: 35.0197887326
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.273937803274 3803 5.01364481299 %
Rwork0.244038741916 72050 -
obs0.245546637964 75853 98.6564524101 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 134.733536962 Å2
Refinement stepCycle: LAST / Resolution: 3.48991836749→49.71625 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms22538 0 58 8 22604
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0073127681680923126
X-RAY DIFFRACTIONf_angle_d1.0864497751431301
X-RAY DIFFRACTIONf_chiral_restr0.06190981817353458
X-RAY DIFFRACTIONf_plane_restr0.007719843212794071
X-RAY DIFFRACTIONf_dihedral_angle_d12.899693867214066
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.48991836749-3.53410.4197388604281250.4013362720822284X-RAY DIFFRACTION86.4680545585
3.5341-3.58060.3895683532421390.3660649422392645X-RAY DIFFRACTION99.2867332382
3.5806-3.62960.4056161507451410.3455124705012687X-RAY DIFFRACTION99.8235086481
3.6296-3.68140.3507312700091400.3374258364512659X-RAY DIFFRACTION99.6794871795
3.6814-3.73640.3723924136091400.3278967002532660X-RAY DIFFRACTION99.6441281139
3.7364-3.79470.3604940080611400.3172909667252655X-RAY DIFFRACTION99.4308075418
3.7947-3.85690.3676278026251380.3039613578572670X-RAY DIFFRACTION99.3982300885
3.8569-3.92340.3046473366521420.2873893110122664X-RAY DIFFRACTION99.2922859165
3.9234-3.99470.2817779497991400.2657165462992668X-RAY DIFFRACTION99.222614841
3.9947-4.07150.2964258244521380.2603380810212645X-RAY DIFFRACTION99.357372367
4.0715-4.15460.28215187641420.2528302034722681X-RAY DIFFRACTION99.3664202746
4.1546-4.24490.3007400139761390.250350682182647X-RAY DIFFRACTION99.1812032752
4.2449-4.34360.2525457604931420.2307692959612670X-RAY DIFFRACTION99.3639575972
4.3436-4.45210.2843883919031410.2329975795272691X-RAY DIFFRACTION99.5080815179
4.4521-4.57240.2534000337781400.2279305661822662X-RAY DIFFRACTION99.5028409091
4.5724-4.70690.245248819321420.2231179044372683X-RAY DIFFRACTION99.1575991576
4.7069-4.85870.2703505957811410.23013608362657X-RAY DIFFRACTION99.3607954545
4.8587-5.03220.2743202346331410.2166492655822682X-RAY DIFFRACTION99.2965177629
5.0322-5.23340.2397489916051430.2214212664182705X-RAY DIFFRACTION99.6152500874
5.2334-5.47130.266247538651400.2244909850392671X-RAY DIFFRACTION99.1534391534
5.4713-5.75940.3037806131821420.2363267835422707X-RAY DIFFRACTION99.4068387997
5.7594-6.11960.2673111326751430.2356905552082703X-RAY DIFFRACTION99.3715083799
6.1196-6.59120.2743887944791450.2345831344892727X-RAY DIFFRACTION99.5839112344
6.5912-7.25260.3074475796311430.227411927072723X-RAY DIFFRACTION99.5138888889
7.2526-8.29790.2582005986961430.2215878029272736X-RAY DIFFRACTION99.3101069334
8.2979-10.43860.1836090484831450.197180294442746X-RAY DIFFRACTION98.5680190931
10.4386-49.716250.243448188141480.2242656214312722X-RAY DIFFRACTION93.2120818448
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)
11.7822438362-0.9456424364390.4674098384021.619855080010.2116791892870.6831025765020.050212216496-0.457289285220.0775266891330.427636970928-0.0009484314113050.178828288551-0.113948470789-1.22935520442-0.06164564612371.71253577125-0.119668262207-0.00472868267831.523531441090.152505977941.0314839640474.631726124697.7180924623302.566403594
21.79153318994-0.115113052155-0.7821256164190.5967768877730.4494015852491.583617833630.552104623096-0.3575514115690.103146243376-0.267709016315-0.153641658548-0.273270107519-0.498921184923-0.506262000716-0.2790616208121.67140565362-0.132688784340.01170017580140.6921077337440.1583563198821.05510765578102.62387229398.9546990159307.28267843
31.399413017780.940033514564-0.5407519853371.74268174749-1.532705044351.48434722139-0.0229494856555-0.005317643229460.1281128013960.1095987323430.0867510184653-0.181767099967-0.766389211813-0.287587789947-0.03494456885021.880733586310.2431931987170.03464652392320.612250769797-0.01408884641690.979583246685101.848154141103.767540184283.752948516
41.96319360966-1.11851846446-0.5165804695122.295764992990.9139841156762.97566853278-0.0636142949913-0.005808499104470.5254711156940.1341999887670.2509607288920.281410868926-0.248418915313-0.547830152114-0.2917975190271.978640628270.0859640317113-0.001855095074571.208637699970.08176657492981.0306302837870.3193042092109.568801952284.693914868
52.27970783021-0.2418071153380.5739651041392.68086140413-1.218356261072.35356872760.40311657805-0.345278159108-0.41126789445-0.02646071390610.1370502103470.2434535057580.624739196229-0.131824294693-0.4838363310311.92158452744-0.246357554158-0.06650316765111.193276934350.2300347254611.11250619983104.76354651261.9183638058327.181264136
60.90980570671-0.896119606875-1.205894260121.923338036191.403796248371.6377805876-0.289599944674-0.520856566936-0.09105340542320.5834657392710.07293245727750.1908856180920.0360265858278-0.03417070099360.1122893172041.56121104694-0.413466366776-0.1468682169491.612783757630.274112217981.2977310920793.662084209882.8615316687331.834322017
70.2395572606870.01863211065980.009925368257591.340517466061.133010935011.34417402086-0.424744426807-0.8644348844890.0532456700708-0.0674868157820.678127852135-0.445053546505-0.467133902037-0.116630885853-0.2031038637631.72066217625-0.20173938403-0.02323098602232.07806014529-0.03296004498431.16389501055101.73419253499.7133145764333.483763233
81.19299269444-0.4776431022041.472972224110.598515445272-0.4834976781511.60366850761-0.04815098253150.1662146589870.2337150670030.294462343013-0.166391266631-0.218861216985-0.183111770870.6384511530770.2215416553662.054805262470.06765867604830.008800154162581.713251079550.0634276165141.23130938695102.493421009105.322268997346.408782676
92.77174187216-1.46451117011-0.9001086063472.63073792290.6289748354683.22266174855-0.147145642184-0.6309899804990.1482097966580.6704176691560.117285391237-0.218974071512-0.13179205883-0.101755642826-0.1019580491341.76293447826-0.410237174875-0.1709810095071.526695119970.03534844625791.06068439754107.36120168573.5631559845357.075156423
101.91618340402-0.0563180078942-0.1847013721412.04166788423-0.8008223932813.503821543220.189199392318-0.394570879153-0.08185937054561.012985978670.00143619279391-0.1261567448170.259845787882-0.510400300282-0.1484502541231.32703583662-0.349008817835-0.06437508427131.49451818405-0.02599091711140.833409479007110.28648066366.82964478342.438218817
111.0559871774-0.5405374483320.283134439751.94925503876-0.4951519533742.231466342080.2796790092950.08223011286450.348435562385-0.176798880705-0.346475291293-0.1181458372890.0658401341298-0.3490061515410.1025142618470.8473570240820.1996439270530.04883150824990.6290648662780.03142700536510.840520391413146.755814164167.165245129211.989496566
121.14484834907-0.541152766658-1.091677964890.429719177842-0.05760758446741.951887118850.1497477854380.317348379811-0.18227563260.158201178887-0.1305322577390.04894626287980.612746665631-0.294908115399-0.05665543300891.14369316367-0.304779396555-0.1114104152840.6694018475820.008484500321651.03941521316142.662438274140.138217733226.324599332
131.5977408121-0.8733026874510.7195726954361.90200993646-0.6934633787673.603550662860.239011076369-0.0306331809626-0.2334104718080.2503201632070.1609625844430.385135286126-0.169369241842-1.081090810990.1068615483361.150809069830.5309681629040.192391329694-0.0747452953654-0.09912491428740.901469934901136.584646366174.419149547232.628596596
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 6 through 202 )
2X-RAY DIFFRACTION2chain 'A' and (resid 203 through 365 )
3X-RAY DIFFRACTION3chain 'A' and (resid 366 through 728 )
4X-RAY DIFFRACTION4chain 'A' and (resid 729 through 967 )
5X-RAY DIFFRACTION5chain 'B' and (resid 6 through 87 )
6X-RAY DIFFRACTION6chain 'B' and (resid 88 through 221 )
7X-RAY DIFFRACTION7chain 'B' and (resid 222 through 325 )
8X-RAY DIFFRACTION8chain 'B' and (resid 326 through 706 )
9X-RAY DIFFRACTION9chain 'B' and (resid 707 through 849 )
10X-RAY DIFFRACTION10chain 'B' and (resid 850 through 967 )
11X-RAY DIFFRACTION11chain 'C' and (resid 6 through 266 )
12X-RAY DIFFRACTION12chain 'C' and (resid 267 through 706 )
13X-RAY DIFFRACTION13chain 'C' and (resid 707 through 967 )

+
About Yorodumi

-
News

-
Feb 9, 2022. New format data for meta-information of EMDB entries

New format data for meta-information of EMDB entries

  • Version 3 of the EMDB header file is now the official format.
  • The previous official version 1.9 will be removed from the archive.

Related info.:EMDB header

External links:wwPDB to switch to version 3 of the EMDB data model

-
Aug 12, 2020. Covid-19 info

Covid-19 info

URL: https://pdbjlvh1.pdbj.org/emnavi/covid19.php

New page: Covid-19 featured information page in EM Navigator.

Related info.:Covid-19 info / Mar 5, 2020. Novel coronavirus structure data

+
Mar 5, 2020. Novel coronavirus structure data

Novel coronavirus structure data

Related info.:Yorodumi Speices / Aug 12, 2020. Covid-19 info

External links:COVID-19 featured content - PDBj / Molecule of the Month (242):Coronavirus Proteases

+
Jan 31, 2019. EMDB accession codes are about to change! (news from PDBe EMDB page)

EMDB accession codes are about to change! (news from PDBe EMDB page)

  • The allocation of 4 digits for EMDB accession codes will soon come to an end. Whilst these codes will remain in use, new EMDB accession codes will include an additional digit and will expand incrementally as the available range of codes is exhausted. The current 4-digit format prefixed with “EMD-” (i.e. EMD-XXXX) will advance to a 5-digit format (i.e. EMD-XXXXX), and so on. It is currently estimated that the 4-digit codes will be depleted around Spring 2019, at which point the 5-digit format will come into force.
  • The EM Navigator/Yorodumi systems omit the EMD- prefix.

Related info.:Q: What is EMD? / ID/Accession-code notation in Yorodumi/EM Navigator

External links:EMDB Accession Codes are Changing Soon! / Contact to PDBj

+
Jul 12, 2017. Major update of PDB

Major update of PDB

  • wwPDB released updated PDB data conforming to the new PDBx/mmCIF dictionary.
  • This is a major update changing the version number from 4 to 5, and with Remediation, in which all the entries are updated.
  • In this update, many items about electron microscopy experimental information are reorganized (e.g. em_software).
  • Now, EM Navigator and Yorodumi are based on the updated data.

External links:wwPDB Remediation / Enriched Model Files Conforming to OneDep Data Standards Now Available in the PDB FTP Archive

-
Yorodumi

Thousand views of thousand structures

  • Yorodumi is a browser for structure data from EMDB, PDB, SASBDB, etc.
  • This page is also the successor to EM Navigator detail page, and also detail information page/front-end page for Omokage search.
  • The word "yorodu" (or yorozu) is an old Japanese word meaning "ten thousand". "mi" (miru) is to see.

Related info.:EMDB / PDB / SASBDB / Comparison of 3 databanks / Yorodumi Search / Aug 31, 2016. New EM Navigator & Yorodumi / Yorodumi Papers / Jmol/JSmol / Function and homology information / Changes in new EM Navigator and Yorodumi

Read more