[English] 日本語
Yorodumi
- PDB-8i83: Crystal Structure of phosphinothricin dehydrogenase -

+
Open data


ID or keywords:

Loading...

-
Basic information

Entry
Database: PDB / ID: 8i83
TitleCrystal Structure of phosphinothricin dehydrogenase
ComponentsGlutamate dehydrogenase
KeywordsOXIDOREDUCTASE / Phosphinothricin dehydrogenase / glufosinate dehydrogenase / amino acid dehydrogenase
Function / homology
Function and homology information


glutamate dehydrogenase (NAD+) activity / amino acid metabolic process / nucleotide binding
Similarity search - Function
Glutamate dehydrogenase / NAD(P) binding domain of glutamate dehydrogenase / Leu/Phe/Val dehydrogenases active site / Glu / Leu / Phe / Val dehydrogenases active site. / Glutamate/phenylalanine/leucine/valine dehydrogenase / Glutamate/phenylalanine/leucine/valine dehydrogenase, dimerisation domain / Glu/Leu/Phe/Val dehydrogenase, dimerisation domain / Glutamate/Leucine/Phenylalanine/Valine dehydrogenase / Glutamate/phenylalanine/leucine/valine dehydrogenase, C-terminal / Glutamate/Leucine/Phenylalanine/Valine dehydrogenase ...Glutamate dehydrogenase / NAD(P) binding domain of glutamate dehydrogenase / Leu/Phe/Val dehydrogenases active site / Glu / Leu / Phe / Val dehydrogenases active site. / Glutamate/phenylalanine/leucine/valine dehydrogenase / Glutamate/phenylalanine/leucine/valine dehydrogenase, dimerisation domain / Glu/Leu/Phe/Val dehydrogenase, dimerisation domain / Glutamate/Leucine/Phenylalanine/Valine dehydrogenase / Glutamate/phenylalanine/leucine/valine dehydrogenase, C-terminal / Glutamate/Leucine/Phenylalanine/Valine dehydrogenase / Aminoacid dehydrogenase-like, N-terminal domain superfamily / NAD(P)-binding domain superfamily
Similarity search - Domain/homology
Glutamate dehydrogenase
Similarity search - Component
Biological speciesLysinibacillus composti (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.62 Å
AuthorsCheng, F. / Xue, Y.P. / Zheng, Y.G. / Zou, S.P.
Funding support China, 1items
OrganizationGrant numberCountry
National Natural Science Foundation of China (NSFC)31970046 China
CitationJournal: To Be Published
Title: Crystal Structure of phosphinothricin dehydrogenase
Authors: Cheng, F. / Xue, Y.P. / Zheng, Y.G.
History
DepositionFeb 3, 2023Deposition site: PDBJ / Processing site: PDBC
Revision 1.0Feb 14, 2024Provider: repository / Type: Initial release

-
Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

-
Assembly

Deposited unit
A: Glutamate dehydrogenase
B: Glutamate dehydrogenase
C: Glutamate dehydrogenase
D: Glutamate dehydrogenase
F: Glutamate dehydrogenase
E: Glutamate dehydrogenase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)280,8577
Polymers280,7956
Non-polymers621
Water7,855436
1
A: Glutamate dehydrogenase
B: Glutamate dehydrogenase
D: Glutamate dehydrogenase
F: Glutamate dehydrogenase
hetero molecules

E: Glutamate dehydrogenase

C: Glutamate dehydrogenase


Theoretical massNumber of molelcules
Total (without water)280,8577
Polymers280,7956
Non-polymers621
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation3_545-x,y-1/2,-z+1/21
crystal symmetry operation4_556x+1/2,-y+1/2,-z+11
Buried area19630 Å2
ΔGint-44 kcal/mol
Surface area84630 Å2
MethodPISA
Unit cell
Length a, b, c (Å)95.130, 126.667, 223.741
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2

-
Components

#1: Protein
Glutamate dehydrogenase


Mass: 46799.215 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lysinibacillus composti (bacteria) / Gene: EBB45_13425 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A3N9UCW8
#2: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C2H6O2
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 436 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN

-
Experimental details

-
Experiment

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

-
Sample preparation

CrystalDensity Matthews: 2.4 Å3/Da / Density % sol: 48.76 %
Crystal growTemperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6.5
Details: 0.1M Bis Tris Propane, pH 6.5, 0.2 M Sodium malonate dibasicmonohydrate, 20% w/v PEG 3350, 10 % v/v Ethylene glycol

-
Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL18U1 / Wavelength: 0.9791 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jan 14, 2023
RadiationMonochromator: M / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9791 Å / Relative weight: 1
ReflectionResolution: 2.62→48.22 Å / Num. obs: 81285 / % possible obs: 99.1 % / Redundancy: 7.9 % / Biso Wilson estimate: 38.74 Å2 / CC1/2: 0.995 / CC star: 0.999 / Net I/σ(I): 13.67
Reflection shellResolution: 2.62→2.714 Å / Mean I/σ(I) obs: 2.25 / Num. unique obs: 8009 / CC1/2: 0.703 / CC star: 0.909 / % possible all: 98.71

-
Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.62→48.22 Å / SU ML: 0.3411 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.2494
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2502 4027 4.96 %
Rwork0.1976 77234 -
obs0.2002 81261 99.12 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 48.25 Å2
Refinement stepCycle: LAST / Resolution: 2.62→48.22 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms18425 0 4 436 18865
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002418760
X-RAY DIFFRACTIONf_angle_d0.49625363
X-RAY DIFFRACTIONf_chiral_restr0.042838
X-RAY DIFFRACTIONf_plane_restr0.00433286
X-RAY DIFFRACTIONf_dihedral_angle_d14.05496976
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.62-2.650.33251210.27112689X-RAY DIFFRACTION99.57
2.65-2.680.33031220.26092597X-RAY DIFFRACTION98.12
2.68-2.720.32561410.2542608X-RAY DIFFRACTION98.5
2.72-2.750.31191290.24722645X-RAY DIFFRACTION100
2.75-2.790.27451420.2442682X-RAY DIFFRACTION99.89
2.79-2.830.28131430.23982642X-RAY DIFFRACTION99.86
2.83-2.870.30281510.2432644X-RAY DIFFRACTION99.96
2.87-2.920.28951470.2392613X-RAY DIFFRACTION99.93
2.92-2.970.2951410.22852682X-RAY DIFFRACTION99.93
2.97-3.020.25841330.22712644X-RAY DIFFRACTION99.86
3.02-3.070.26921520.22062656X-RAY DIFFRACTION99.89
3.07-3.130.27591580.23462623X-RAY DIFFRACTION99.82
3.13-3.190.30921500.2232645X-RAY DIFFRACTION99.61
3.19-3.260.30371220.21632703X-RAY DIFFRACTION99.68
3.26-3.340.27431260.21762664X-RAY DIFFRACTION99.54
3.34-3.420.29631340.22452653X-RAY DIFFRACTION99.32
3.42-3.520.31931350.22042633X-RAY DIFFRACTION97.64
3.52-3.620.26451580.19882611X-RAY DIFFRACTION99.64
3.62-3.740.24991200.18572685X-RAY DIFFRACTION99.61
3.74-3.870.23271390.18482670X-RAY DIFFRACTION99.65
3.87-4.020.2741390.17932669X-RAY DIFFRACTION99.47
4.02-4.210.22711420.17172674X-RAY DIFFRACTION99.12
4.21-4.430.17151400.15252655X-RAY DIFFRACTION98.83
4.43-4.710.17731490.14932660X-RAY DIFFRACTION98.25
4.71-5.070.2541270.16242648X-RAY DIFFRACTION96.82
5.07-5.580.23211440.18162701X-RAY DIFFRACTION99.23
5.58-6.380.25731380.2062728X-RAY DIFFRACTION99.03
6.38-8.040.21831280.1832756X-RAY DIFFRACTION98.83
8.04-48.220.18871560.17142754X-RAY DIFFRACTION95.47
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)
10.7126453140420.0410696204593-0.04268109941290.983532944272-0.2175633736060.890463940532-0.01108396770570.0390029906622-0.0451731271184-0.0927579576968-0.02812174962030.09505367921050.00300799816369-0.06408733753410.02485651621280.225764087428-0.00361809421495-0.02466697522160.261054432397-0.04202159992850.26559029079714.7562741328.4046695237959.1781270956
22.57524027747-0.7885005368760.8255647306370.8330539373-0.06501765774761.003820736110.2355094636790.68235546666-0.196847644916-0.302107492944-0.248168654550.151660640347-0.04599100199590.08374386432670.009301829941270.3868395269250.0683677497829-0.02559539260720.412345733641-0.05343865341890.34579725704910.447477826223.037584846641.2448869301
30.7585055629040.3661163397460.4450217459110.8567159292720.1100547540881.25605828115-0.0305920314394-0.2053742464990.03441336725420.124298767525-0.03216336260450.17426586637-0.146358925303-0.2456082534840.05381822461730.2496985834840.05094822618290.01983977297830.376335856839-0.0436533450170.26335301692.206829652422.628172337793.1149058673
41.06868003832-0.160323118978-0.6232481040041.235055275470.2296737423891.642903459540.1860862752420.09026754265360.120009589083-0.0698989723156-0.02028673092820.105787318744-0.4695759790240.101803067062-0.1127192890870.5397277310710.09629939981860.03957143587510.4630783762560.03948521212650.431782023831-16.45253119750.818137935389.0183951465
50.901346267507-0.396312967104-0.2649274744750.9095085324020.2502794840180.03889938409140.002009391015460.09897452814670.08110333343810.00272757793276-0.0372455602050.117432437333-0.0990312259068-0.2151857797350.01980533558860.3250252675220.0849698309953-0.0350267361920.4842252373-0.02004711646150.268687194522-11.151421132532.18952956379.5530645306
60.7257628128880.2704850585550.3254929445811.03893615570.05986202516370.9374061733030.03376246336630.1587688495790.00147509437659-0.209216752262-0.0138147242193-0.1433815430560.00905829598250.0582848055581-0.01549840923950.3221992851580.01530349996830.09097569611650.356310081709-0.01887227843780.263713073817-8.5216877055349.2563598148121.634530868
70.853954908850.2286799912260.4421593682310.3391087517930.5232568876521.4505925087-0.09315476940780.4959986667930.248116052241-0.3395201527470.148267632606-0.258098196247-0.2732037378310.53122981807-0.06013045713970.578564767451-0.1119926316120.2062012168920.6599343111930.1108087703470.6072210687146.4167368208465.4161049518108.505712303
80.839963954883-0.170116883410.1807454654980.7130863477450.1208687798730.9144951186840.0572640971908-0.121874326683-0.1497613549520.159546045565-0.0787040911020.1826183232180.122212233671-0.1818245833720.0186283075380.32921730675-0.04696764571720.0600585914410.3307445182410.02120052837630.3091873264774.35889473249-2.2444311698196.9968735992
91.144336591870.161066954383-0.8502946401331.370351279780.02009777411420.661894107477-0.0483528328172-0.161149533543-1.236288684660.9769681676640.301094410406-0.001570894932120.523063386253-0.683539723409-0.1206834081111.33216748256-0.2845971581470.09901559276210.7387148238030.1456073139741.014044935748.01767200391-25.7702570865116.773033421
100.8652655181450.110229163424-0.5117976457871.906123467840.5319683692681.24609045879-0.0127272813859-0.146936978671-0.2532476605250.738820706132-0.1701543152160.1487598272360.533883007671-0.3987751696370.1391174477730.661595139975-0.1054458598690.02829094936290.5230907512360.02064273828950.38309486930412.7227004984-11.7116680404112.906484989
110.391414162805-0.227485305087-0.001815166345961.3285971162-0.1903660218980.748953435518-0.256723808099-0.1838832812860.1432830583070.5617118942660.256302417229-0.109461297984-0.1452633898970.192947220041-0.01604226878430.380182461155-0.0230059422636-0.08540294333670.313896836542-0.06661978951950.31047294624838.561837977937.150268707694.8046898882
120.409127684528-0.462607971825-0.2713252170751.30543424752-0.02708954958561.197071706780.02534872786910.0277250181224-0.0303100114051-0.029712073575-0.0303338451035-0.136280674505-0.09072128639040.06039496083310.009002140446870.239333498737-0.0138694690743-0.0475408273910.252880626267-0.02458945850330.30069019793240.159093563626.402651030779.4188614581
130.569643352957-0.3574556449630.3600381315941.099041538310.5441744301480.858466355754-0.01705761522220.1264354642930.0250090897785-0.1286338981550.07317419300640.0441590409807-0.03309187149340.0233482536021-0.03661652192490.2662960784640.0221816941437-0.00291981834780.228314514886-0.02449225852740.1806732843330.406675110426.788246042568.7024569716
141.489202831950.221872429626-0.4430419245570.552617162627-0.03738782066950.8996554843870.111217555156-0.06079779135510.0188217534465-0.199892600682-0.0739537953816-0.0624175935643-0.2317010116780.0326543694536-0.02478637030750.437424406061-0.0387808292716-0.005958329089350.2767731665340.005093600015050.38867319364441.702327409751.998142832167.8848407216
150.898538599052-0.438810271875-0.215026207551.253116929080.1610503748291.628985503620.0219208891351-0.0239587165266-0.0125557794091-0.1819045387460.0358444999324-0.253896667267-0.1935521178260.263818175828-0.03193211513990.409467111886-0.0654957471927-0.005168734394760.2855756097640.02604245652370.50246198738552.562112104248.882036828368.974496701
161.178600524920.532113763625-0.3788271319691.146292600590.2207039252110.6919878562720.0291929159584-0.1150499308750.1156115225220.0302769816505-0.02011316461480.0110487635864-0.2399589711130.0504328477012-0.005331521275560.35660297071-0.00261322169458-0.02913129581460.20753639350.01108977985320.28543475018135.825581096746.069483715378.266637284
171.582372006310.4781441376070.5464565815052.161200875070.7349479288792.15321632066-0.05252346353510.08449123011560.2657667791-0.1848755359430.151747006010.0307863848886-0.540652981095-0.112383024612-0.1574588358990.3464909595470.0309211014204-0.02961871406330.2677449239490.01993956213890.39030472066925.578768897949.876735742275.8704339492
181.267481628191.25087865710.01670400813242.43417378377-0.500662437250.3477215794930.122916790965-0.008200392829090.1648321247170.4808115527080.09742330910470.0450411912494-0.527209780413-0.132883852352-0.1313686303530.4314016918290.05373672374360.006664558895320.290345606354-0.08544228258390.35165205242526.772322920543.554421054893.738023882
190.3770221098780.212801802253-0.1551402310681.098182037510.1193796706410.572292823876-0.0267657836461-0.0107397845189-0.08062005424110.00751357239153-0.02484464738160.110388558810.116216148267-0.03664927162520.04071345571420.265219860443-0.009518216177070.008438661678680.2636975848790.02460016690630.317185023224-32.957897376252.90498050940.0536961998
201.67473095110.5984774603910.1251318661681.043855121770.0835169194361.20460643320.112636190765-0.043473423813-0.05730133891120.06345342385730.03686915596630.2891948616890.0814990935984-0.302378228178-0.1339395707580.492294625683-0.03879105848920.04299585252110.3855340531660.06062558698860.54986491296-49.286013753531.100912107342.2726052756
210.5359856462830.2659919024820.09751564654211.36270718726-0.2525737796020.58663095502-0.09012997293670.0411755255996-0.116254662477-0.09512713176110.0577025512032-0.03368054473310.125188729268-0.09847731467880.03403925692990.332308892671-0.02620817593380.02145326764660.280109738527-0.04019770451030.407715506976-32.528481837.738726091331.2665512043
221.112796752851.14422284745-0.4129152059071.47279006883-0.2847505461250.725479694442-0.008491455248470.222506638759-0.227854874559-0.03590181290080.0554421811154-0.1033259110040.1833592469370.0275219412626-0.03216584158530.4105070819660.04903331686110.06466887893190.332144228034-0.02126784004080.396989068151-17.520436357939.993422199836.1586974797
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid -1 through 199 )AA-1 - 1991 - 201
22chain 'A' and (resid 200 through 408 )AA200 - 408202 - 410
33chain 'B' and (resid 1 through 182 )BB1 - 1821 - 182
44chain 'B' and (resid 183 through 281 )BB183 - 281183 - 281
55chain 'B' and (resid 282 through 408 )BB282 - 408282 - 408
66chain 'C' and (resid -1 through 182 )CC-1 - 1821 - 184
77chain 'C' and (resid 183 through 408 )CC183 - 408185 - 410
88chain 'D' and (resid -1 through 182 )DD-1 - 1821 - 184
99chain 'D' and (resid 183 through 215 )DD183 - 215185 - 217
1010chain 'D' and (resid 216 through 408 )DD216 - 408218 - 322
1111chain 'F' and (resid -4 through 40 )FE-4 - 401 - 45
1212chain 'F' and (resid 41 through 159 )FE41 - 15946 - 164
1313chain 'F' and (resid 160 through 182 )FE160 - 182165 - 187
1414chain 'F' and (resid 183 through 242 )FE183 - 242188 - 247
1515chain 'F' and (resid 243 through 296 )FE243 - 296248 - 301
1616chain 'F' and (resid 297 through 356 )FE297 - 356302 - 361
1717chain 'F' and (resid 357 through 382 )FE357 - 382362 - 387
1818chain 'F' and (resid 383 through 410 )FE383 - 410388 - 415
1919chain 'E' and (resid -4 through 199 )EG-4 - 1991 - 204
2020chain 'E' and (resid 200 through 306 )EG200 - 306205 - 311
2121chain 'E' and (resid 307 through 382 )EG307 - 382312 - 387
2222chain 'E' and (resid 383 through 408 )EG383 - 408388 - 413

+
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://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