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- PDB-8ukz: Structure of P450Blt from Micromonospora sp. MW-13 with E238A Mutation -

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Basic information

Entry
Database: PDB / ID: 8ukz
TitleStructure of P450Blt from Micromonospora sp. MW-13 with E238A Mutation
ComponentsCytochrome P450-SU1
KeywordsOXIDOREDUCTASE / mutant / biarylitide / crosslink
Function / homology
Function and homology information


Oxidoreductases; Acting on paired donors, with incorporation or reduction of molecular oxygen / cholest-4-en-3-one 26-monooxygenase activity / steroid hydroxylase activity / cholesterol catabolic process / iron ion binding / heme binding
Similarity search - Function
Cytochrome P450, B-class / Cytochrome P450, conserved site / Cytochrome P450 cysteine heme-iron ligand signature. / Cytochrome P450 / Cytochrome P450 superfamily / Cytochrome P450
Similarity search - Domain/homology
ACETATE ION / PROTOPORPHYRIN IX CONTAINING FE / DI(HYDROXYETHYL)ETHER / trifluoroacetic acid / Cytochrome P450-SU1
Similarity search - Component
Biological speciesMicromonospora sp. MW-13 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.95 Å
AuthorsHansen, M.H. / Cryle, M.J.
Funding support Australia, 2items
OrganizationGrant numberCountry
Australian Research Council (ARC)DP190101272 Australia
Australian Research Council (ARC)DP210101752 Australia
CitationJournal: Acs Catalysis / Year: 2024
Title: Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Authors: Hansen, M.H. / Keto, A. / Treisman, M. / Sasi, V.M. / Coe, L. / Zhao, Y. / Padva, L. / Hess, C. / Leichthammer, V. / Machell, D.L. / Schittenhelm, R.B. / Jackson, C.J. / Tailhades, J. / ...Authors: Hansen, M.H. / Keto, A. / Treisman, M. / Sasi, V.M. / Coe, L. / Zhao, Y. / Padva, L. / Hess, C. / Leichthammer, V. / Machell, D.L. / Schittenhelm, R.B. / Jackson, C.J. / Tailhades, J. / Crusemann, M. / De Voss, J.J. / Krenske, E.H. / Cryle, M.J.
History
DepositionOct 15, 2023Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 10, 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: Cytochrome P450-SU1
B: Cytochrome P450-SU1
C: Cytochrome P450-SU1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)138,47115
Polymers135,8233
Non-polymers2,64812
Water3,819212
1
A: Cytochrome P450-SU1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)46,1785
Polymers45,2741
Non-polymers9044
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Cytochrome P450-SU1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)46,2296
Polymers45,2741
Non-polymers9555
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Cytochrome P450-SU1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)46,0644
Polymers45,2741
Non-polymers7903
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)61.957, 94.480, 105.985
Angle α, β, γ (deg.)90.000, 92.680, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 14 through 32 or resid 34...
d_2ens_1(chain "B" and (resid 14 through 32 or resid 34...
d_3ens_1(chain "C" and (resid 14 through 32 or resid 34...

NCS domain segments:

Ens-ID: ens_1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11TYRTYRLEULEUAA14 - 3235 - 53
d_12GLUGLUVALVALAA34 - 3855 - 59
d_13TRPTRPCYSCYSAA40 - 5561 - 76
d_14GLNGLNVALVALAA57 - 11078 - 131
d_15GLNGLNGLUGLUAA112 - 124133 - 145
d_16GLYGLYVALVALAA130 - 169151 - 190
d_17SERSERGLUGLUAA171 - 204192 - 225
d_18GLYGLYALAALAAA206 - 215227 - 236
d_19ASPASPVALVALAA265 - 289286 - 310
d_110ASPASPLEULEUAA291 - 354312 - 375
d_111GLUGLUALAALAAA356 - 363377 - 384
d_112LEULEUSERSERAA368 - 391389 - 412
d_21TYRTYRLEULEUBB14 - 3235 - 53
d_22GLUGLUVALVALBB34 - 3855 - 59
d_23TRPTRPCYSCYSBB40 - 5561 - 76
d_24GLNGLNVALVALBB57 - 11078 - 131
d_25GLNGLNGLUGLUBB112 - 124133 - 145
d_26GLYGLYVALVALBB130 - 169151 - 190
d_27SERSERGLUGLUBB171 - 204192 - 225
d_28GLYGLYALAALABB206 - 215227 - 236
d_29ASPASPASPASPBB219240
d_210ALAALAVALVALBB266 - 289287 - 310
d_211ASPASPLEULEUBB291 - 354312 - 375
d_212GLUGLUALAALABB356 - 363377 - 384
d_213LEULEUSERSERBB368 - 391389 - 412
d_31TYRTYRLEULEUCC14 - 3235 - 53
d_32GLUGLUVALVALCC34 - 3855 - 59
d_33TRPTRPCYSCYSCC40 - 5561 - 76
d_34GLNGLNVALVALCC57 - 11078 - 131
d_35GLNGLNVALVALCC112 - 169133 - 190
d_36SERSERGLUGLUCC171 - 204192 - 225
d_37GLYGLYALAALACC206 - 215227 - 236
d_38ASPASPASPASPCC219240
d_39ALAALAVALVALCC266 - 289287 - 310
d_310ASPASPLEULEUCC291 - 354312 - 375
d_311GLUGLUSERSERCC356 - 391377 - 412

NCS oper:
IDCodeMatrixVector
1given(0.560235408689, -0.822783302774, 0.0957283841247), (-0.82474944631, -0.564812804572, -0.0278360665867), (0.076971667917, -0.0633571816625, -0.995018205798)-49.6424893263, -84.3299250137, -70.6423880528
2given(0.488779971403, 0.870846511858, 0.0521583391124), (0.871331655082, -0.490271869634, 0.0203627281292), (0.0433045771968, 0.0354943182725, -0.99843120292)-26.9871823014, -60.2503172697, -34.1962046526

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Components

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Protein , 1 types, 3 molecules ABC

#1: Protein Cytochrome P450-SU1


Mass: 45274.238 Da / Num. of mol.: 3 / Mutation: E238A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Micromonospora sp. MW-13 (bacteria) / Gene: C5N14_21030 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A3E2YLT4

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Non-polymers , 5 types, 224 molecules

#2: Chemical ChemComp-HEM / PROTOPORPHYRIN IX CONTAINING FE / HEME


Mass: 616.487 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C34H32FeN4O4
#3: Chemical
ChemComp-TFA / trifluoroacetic acid


Mass: 114.023 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C2HF3O2
#4: Chemical
ChemComp-ACT / ACETATE ION


Mass: 59.044 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C2H3O2
#5: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C4H10O3
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 212 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN

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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: 2.28 Å3/Da / Density % sol: 46.09 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 6.5 / Details: 0.1 M MES pH 6.5, 12% PEG400 and 14% PEG 20K

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.95373 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jul 28, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.95373 Å / Relative weight: 1
ReflectionResolution: 1.95→47.24 Å / Num. obs: 88780 / % possible obs: 99.89 % / Redundancy: 3.5 % / Biso Wilson estimate: 34.75 Å2 / CC1/2: 0.995 / CC star: 0.999 / Net I/σ(I): 5.68
Reflection shellResolution: 1.95→2.02 Å / Num. unique obs: 8823 / CC1/2: 0.257 / CC star: 0.64

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.95→47.24 Å / SU ML: 0.2519 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 24.4687
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2228 4499 5.07 %
Rwork0.2046 84226 -
obs0.2055 88725 99.9 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 47.02 Å2
Refinement stepCycle: LAST / Resolution: 1.95→47.24 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8559 0 180 212 8951
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00418984
X-RAY DIFFRACTIONf_angle_d0.684712303
X-RAY DIFFRACTIONf_chiral_restr0.04161367
X-RAY DIFFRACTIONf_plane_restr0.00591638
X-RAY DIFFRACTIONf_dihedral_angle_d7.83491314
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS2.49880385567
ens_1d_3AAX-RAY DIFFRACTIONTorsion NCS2.49547799663
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.95-1.970.30681550.33752775X-RAY DIFFRACTION99.36
1.97-20.34471560.3182797X-RAY DIFFRACTION99.8
2-2.020.35451330.31512777X-RAY DIFFRACTION99.59
2.02-2.050.33671400.30632786X-RAY DIFFRACTION99.73
2.05-2.070.30321610.29142806X-RAY DIFFRACTION99.8
2.07-2.10.31631410.28372777X-RAY DIFFRACTION99.76
2.1-2.130.27861590.26672820X-RAY DIFFRACTION99.93
2.13-2.160.31671250.27072786X-RAY DIFFRACTION99.73
2.16-2.20.28741550.2562809X-RAY DIFFRACTION100
2.2-2.230.2881540.25562776X-RAY DIFFRACTION99.9
2.23-2.270.26131400.23892815X-RAY DIFFRACTION99.93
2.27-2.310.28031410.22972837X-RAY DIFFRACTION99.97
2.31-2.360.24411510.22112797X-RAY DIFFRACTION99.93
2.36-2.410.2451540.21782804X-RAY DIFFRACTION100
2.41-2.460.24321520.21432795X-RAY DIFFRACTION100
2.46-2.510.2531400.20612799X-RAY DIFFRACTION100
2.51-2.580.22161660.20252809X-RAY DIFFRACTION100
2.58-2.650.24131440.20322778X-RAY DIFFRACTION100
2.65-2.720.2471800.20622796X-RAY DIFFRACTION100
2.72-2.810.25931420.20942805X-RAY DIFFRACTION100
2.81-2.910.20951350.20522820X-RAY DIFFRACTION99.97
2.91-3.030.26031400.21152823X-RAY DIFFRACTION99.97
3.03-3.170.26531510.22242792X-RAY DIFFRACTION100
3.17-3.330.20731680.20462825X-RAY DIFFRACTION100
3.33-3.540.20081590.19292820X-RAY DIFFRACTION100
3.54-3.820.20431390.18112819X-RAY DIFFRACTION100
3.82-4.20.18961480.16862834X-RAY DIFFRACTION99.93
4.2-4.810.17421580.15942817X-RAY DIFFRACTION100
4.81-6.060.19431270.1952864X-RAY DIFFRACTION99.9
6.06-47.240.18351850.18372868X-RAY DIFFRACTION99.87
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)
12.03987635595-0.2618720146481.483911185432.036974914160.1170162265469.637970835490.319466704556-0.04832354415920.300130576072-0.296455448906-0.2805724243160.342786828362-1.63331663003-2.20488572612-0.114668759040.7388973811580.188679015529-0.06055043627230.624945351614-0.01329973113190.453646189084-51.818-26.612-25.024
29.375866775654.991249488350.9275993463094.6722774494.859314945949.54473167255-0.70904350824-0.03250973571480.144598051181-0.185081305151-0.3376357820052.541963537870.620942196788-1.913945650020.9177224790960.431855875813-0.1746698919320.03016237741060.9479448656760.009318770066830.541477130481-50.371-34.192-25.086
32.06007018443-1.02627590324-2.078581838885.30673225794-0.3749731189723.663879574860.0015944305946-0.776704378206-0.4145110532170.3524623861050.2415274417070.9149400837920.997436661197-0.439465914787-0.3221219976120.448611980559-0.00970212204860.01472379214350.4066479094940.1455836924810.381739165563-40.635-35.79-18.696
41.65039314703-0.285748801874-0.1009237677871.69096365984-0.4628205906182.14862407102-0.0171186396695-0.01487781680560.0520425156859-0.0672489313856-0.0337556570479-0.1999440862910.1589811362790.2000605015910.03891047728840.185568102005-0.00202818282313-0.002469653436570.215559934609-0.00309330409580.220389056774-21.857-21.214-31.991
52.918211731223.97446256342-3.624939802255.37867962385-4.929567647674.53443330359-0.115998673980.394518325260.2287509072-0.887147140802-0.0106879133129-0.07202737612130.267795757531-0.2892964630120.1201172693360.4438463925370.0684867118164-0.01382522600040.2832219888090.0002156559777750.25076820499-24.351-24.288-38.703
62.29000874738-1.906395636531.989745182682.10483271868-1.888310126464.148430571670.0114514095127-0.03040759017730.152160734817-0.347874414997-0.0113897197524-0.2906402509380.136903461715-0.142050920755-0.04602503203830.1699041107450.009291709273980.03608807784920.219955658990.003024853059340.290819668138-34.363-17.807-34.068
75.54331689734-4.573199090332.136201234923.52440618037-2.284385058113.93997768268-0.04969896844560.2330792611830.7474571007680.266136075807-0.312647202208-0.689831039886-0.5250338377110.3330521244850.3159703131050.339693922986-0.04467349702690.02994692051540.28859356067-0.0391753058730.345628603159-24.378-6.787-21.787
82.44976176264-1.87112421212-0.5691041291872.270622461710.2734338539182.47687769304-0.0256742833368-0.02087536472230.15242483421-0.514756505814-0.1670086626310.647799791190.0568722234666-0.1023141576780.04763057562560.2324317133720.00767384018488-0.06767239708230.317579087978-0.0432629151170.290622398986-32.566-19.475-27.093
91.635919518081.05722273036-0.6429100600383.39080235843-3.196922365693.11201037101-0.006962609336460.245523498514-0.254007601481-0.1306785559720.274095631863-0.07662956098830.4617451198240.0116926302177-0.296673135990.3609362347090.01181484908580.0562963258280.247183191021-0.08182450707130.384336690305-44.207-64.263-49.941
102.018207363481.46673031849-2.88805861091.86719494456-1.653678187288.75980053756-0.1704781456910.052344650929-0.569965252933-0.515942910943-0.13281847962-0.01529204321770.6360654477470.2300491066760.3345911346520.3866870975110.140581011428-0.07311303253530.327102163542-0.04924515570620.456008419646-32.803-60.259-43.991
116.147893169792.70743591587-1.205608946064.15492761177-4.308542492664.700658300560.1619557972020.1076824177240.04284797496310.155614569301-0.142277983353-0.321054687297-0.1333078442490.724427274092-0.01883159374870.332688158104-0.02405861380460.02689226987920.346751414288-0.1231706167610.367297314754-30.495-42.179-44.267
123.71347476789-0.254537568064-3.141862406477.25015127539-3.119821675654.228380457170.1275081261381.434524571910.525690814818-0.8899297451630.241836566171-0.04688107646450.05455454425550.655052748179-0.3760033628580.525322505383-0.09528257118950.09428800517570.623565765270.03586593088060.349221510544-35.644-32.521-56.876
135.03451995678-3.95368734912-0.4010379946696.461460248333.569576849963.17147899547-0.125734572357-0.07300529274560.1207277924870.1252958327030.235233290678-0.2669747096470.1048531665690.180694209135-0.09503212930910.363407157769-0.0280070275758-0.04236405058270.2299258135580.01303076962590.323477996542-42.598-32.042-42.823
143.227811012951.369422721822.055360668443.226594216565.258773539518.34369444621-0.00704694345811-0.0490542801840.239425359322-0.03935147971560.0762244118010.102217114757-0.517990945567-0.112234864474-0.06263803309340.3287057420590.1083210557250.03053802895660.3501546560270.05043167735240.461138566355-67.177-39.301-42.551
155.237496947277.588369562310.9880329424792.005143545272.59368411598.31877448719-0.5808071917730.733602147681-0.00666556146173-0.2682455703720.553336352156-0.0698666191505-0.319512285874-0.8084697255470.01946132102870.4993833798210.14321744871-0.02899746972630.560285219246-0.01567386786960.492867044599-76.382-55.024-51.78
161.79261550568-0.7908214191490.3716944085334.425519976420.2779224217274.198234347080.1152217653660.1148056217070.00973827173409-0.597053400464-0.06458802473060.497906406574-0.117006333705-0.393222622303-0.06025730463620.2197359469930.0339907164617-0.04661451884120.2323405614340.01073126668320.309375748554-63.252-45.345-53.453
179.50471742678-7.146967634910.3748623842469.16419440169-0.1819127813435.602573688940.1813181870340.658727816188-0.0971527223746-0.721803047301-0.04024086021720.0554035866037-0.2860018230230.179635855407-0.1512575110460.345877724042-0.03757107030610.01573225003840.228033909961-0.0303166920040.269561046736-45.784-47.436-61.561
187.0841260019-1.176744082051.700805682916.46610006211-2.050395116639.28765901954-0.000585455348930.3231419098640.598778630223-0.559058328353-0.0427901856394-0.0390696698364-0.75837648172-0.5457300227350.003051066770440.3596622879810.0102080394145-0.02059167254810.1909276795810.03375625901510.378154144092-56.036-28.466-55
193.817491136244.599249575164.103814329756.83083826842.22075773369.92964996314-0.1697967345580.3927925379151.403418114890.6770295238050.1380756589-0.0655957611291-0.9580995155590.18070469814-0.0322157651130.5252836140450.0840236696402-0.03978646568950.2772290090180.004634631456090.537374202453-49.994-22.296-46.143
209.756229208141.472634280751.921096659044.84274891126-1.139574082656.34117046349-0.1889685456790.6516933432810.478717238932-0.4670261803440.1019756368550.277920996173-0.3874723294720.27593826340.1009127848840.3562351559440.0326757176629-0.008576614307890.2338454432390.01299084046740.288051589458-45.533-31.105-52.076
212.259740600190.74032871022-1.251107064020.826718395642-1.436117261462.839285588370.00671453089429-0.1738797500210.0343390136270.05174124313150.1675686988440.137029419127-0.125979811169-0.215360885111-0.1728853934440.3026563103210.03981736766040.01132723768870.2051209198110.01608916951470.289119159594-56.479-52.839-39.86
222.41952266795-2.109805128730.4711976320417.03300424614-4.511216747183.444861759040.0470626492865-0.1076364852630.0399987086680.3771121980660.195804126305-0.4493500043270.149537996591.38143933275-0.1547370452630.2904281496240.0243413823983-0.08765338094180.58266028072-0.1058238718980.410087340626-23.817-49.09-42.398
234.559526536421.19222905582-3.416817998520.96896779946-1.215343680515.04446614689-0.260005502553-0.21155942943-0.326729139980.06191320229110.130266456188-0.1039984290430.632587813760.001327137520210.1302263614330.3374727818130.0302459047919-0.02796027470670.2169085971190.00702209029440.28442047861-44.638-58.34-35.475
245.777065720035.34613157743-6.204480961314.83895553008-5.633720270646.466923325670.450468697133-1.142036181950.4857593416781.02809137438-0.08419837662970.281545161979-1.001845574580.383532269728-0.4605591125220.451506421430.05331344482730.0264206778660.393488798661-0.009945443159550.363346257919-47.499-51.567-29.63
253.163399725113.60909342713-0.8989875545425.44059543331-0.7044268158942.18284225141-0.06163167730130.08012000496210.4644463156870.3564339536840.1839528946940.62578893468-0.0681167840025-0.241262101256-0.150203939070.2690876106180.05943350059930.02356514949750.2101255283640.01041466985640.239203750757-58.462-46.795-38.942
262.566336008112.37421100966-1.270410506412.5762198096-0.3116134724062.085287097240.1167943135420.120905920811-0.292224566799-0.153865452247-0.01319224239450.1040612694490.0628774269663-0.161255443868-0.08638699076180.285093580466-0.0125998709297-0.03932878686520.21756486412-0.01401592616990.316285793058-57.226-59.667-51.715
272.782805677261.013873291910.3822456833571.740074653930.7043621331841.495608557830.422159190411-0.2878175666890.4821598879340.256956088608-0.3285093746220.5253546213490.15404381041-0.0710133344732-0.03164091174770.3401146953840.0381072744432-0.05182986945730.2380169608270.03580219571810.256278676818-53.84-49.81-46.297
284.78303517394-5.72126897098-3.852793692228.755566989966.293978253937.75498537753-0.374587024835-0.2759993247050.530147952090.01753641093130.396995977995-0.297674361688-0.8693049995580.693134872081-0.03046570375010.628473258229-0.117409975865-0.1099210233980.3867402416060.04242371561240.414396556594-50.247-59.1-11.768
292.97792619996-0.9082621373791.143530527253.931485518521.406782153364.28019836709-0.410451129282-0.2211532298080.287281180604-0.1135716489650.03786777467450.00150235143133-0.496624777464-0.601602512760.356072098940.5165013541850.170960643401-0.04400122749250.418474302071-0.05765406479480.389633992844-66.206-56.734-9.876
302.869694943751.48260165181-0.04780127834292.183446194660.6020150597980.458659480202-0.0724389991115-0.2028053808120.300866211563-0.5018584126470.2171489986770.977100656476-0.158004801327-0.438195340231-0.2547574676480.5777052845040.0592648526399-0.003338341930840.7269384269810.06085145623590.477061023905-79.971-67.833-15.367
312.487658573060.686121447326-3.704720714232.16450148417-2.385392233016.483439793080.0144656247381-1.343863224960.1214395922691.550768882770.1825462145310.4417007016750.636498840154-1.02062090176-0.1948628565480.7805558166520.008278280524790.01357444347790.750962443404-0.02079124622550.459289171506-77.827-82.962-5.365
327.02702709118-1.380982352062.173503263923.106967594631.077796848646.338427763270.448959861466-1.00474766492-1.405331579211.68884394375-0.129408156902-0.3811661195141.33550988158-0.564181749215-0.2598781527581.05059281928-0.175788732944-0.2883635285840.4706587437470.1992664358320.682597904232-65.142-93.225-4.21
331.371239128150.7386245766850.4388755827633.7261725423-1.747876330691.332928772520.5465715082640.616397224323-0.359555168351-0.5830211708920.02326412393140.3039846019270.030928103513-0.169008314268-0.3205794647241.057918715560.484977573209-0.474120568681-0.07016963669-0.3713362522721.47398548393-50.433-94.914-11.269
345.55671841814-5.16547699040.08154108669244.77923878702-0.03770565303157.49905113842-0.632323095171-0.403969669429-0.886723769315-0.1562792833270.2260320098030.9988929547140.2122894807021.913963283430.3473763704830.5534051081240.23531675837-0.0002013967651170.616010167841-0.06445096064220.579482562467-41.814-87.961-16.166
352.1354138871-0.138603939173-0.09276000698234.68474691458-1.349545928252.916992165340.0973697228210.215606670262-0.221468525883-0.4818025544220.1424034241760.1265189294310.573692892052-0.164661042547-0.2709953903520.410249411845-0.0541356852548-0.04037564439470.340615093694-0.02539587360860.293258208872-60.701-80.155-21.557
369.998706269034.55232672081-3.729521097216.57018356680.3366531665122.39528154425-0.3297787850450.351028068315-0.348797888319-0.6968730916580.567274899102-0.157589714070.943874155237-0.412135486275-0.2491159255310.570742586855-0.148576033455-0.1473746527690.4473044150890.04701095937210.426565819891-74.762-89.012-20.365
374.08153501066-2.927728305984.304159775499.137806924753.00296236129.81837470762-0.019835697136-1.12314531008-1.153342235710.06014242642910.2604666716630.8431891960041.29853489921-1.82300382044-0.3918288209750.72069533935-0.3503046383880.01231490499270.9094736345350.07627422610970.630513410181-82.585-88.232-12.831
382.41126053490.8999498938481.422292931842.334722364020.977847287683.36571163202-0.4027236141480.05960776547560.185608323124-0.1345256646550.1821799420890.319063102697-0.0266420366911-0.612808553290.2194823936970.398491915469-0.0567259522394-0.06650743785490.4810488455920.0281338692680.336316695362-69.001-79.564-14.446
399.37829233392-1.42844877594-1.994720736324.92079200694-0.7561356489462.21484282328-0.28613365981-0.230212082108-0.5245957586510.2941301021620.258402480012-0.0103920927710.993475494837-0.2965978213080.0429026480790.6125921640130.0549271385994-0.0491856411530.553254068593-0.04163173476470.393541491214-48.349-81.5023.035
403.64825102268-1.836076512212.008612772856.03991899326-1.191205445632.73270126544-0.188590163403-0.2290810829490.01977764265550.3080939750620.2054003227750.368135184886-0.589261682938-0.562025369347-0.04607286580560.383243814650.1088891070670.01964010488330.4151080356760.0121868001730.215306305828-62.827-65.584-5.845
414.892673499173.622776022082.778615523544.081026914390.5706846784713.08841240668-0.2845612580850.5086166388121.375395125860.522080927730.05790547719760.202740834374-1.07337389392-0.372169056490.2733544731351.280564539630.5735108292430.005808212955250.761416801407-0.1049509751770.679811560189-69.744-48.856-8.559
427.69172267644-2.753515463122.89930723222.33307847762-0.4214578156712.36943741835-0.0573098513639-0.5594631920840.272449963940.0437944388035-0.0613387066451-0.130434517658-0.454365276406-0.3762902603470.07349847688680.4303106772470.0504321344048-0.02057857194720.35976604192-0.04478713027720.228830758612-57.233-65.518-0.128
439.24554354906-5.061494700262.397348158742.95469445054-2.404589264016.022091013170.209560855118-0.437356551286-0.237035606688-0.3991775533610.076856567916-0.03532621030140.334116565649-1.10771602717-0.3543878936260.384459898765-0.0327675843969-0.02932119399630.4146243172030.0601736600160.366910551632-65.196-79.107-2.982
445.23841282692-5.401791321965.026437011875.55806008904-5.162139303574.808728027311.0699950921-1.85784413471-0.907349277717-0.355809430403-0.63003920766-0.1793676974971.262071840570.108409407826-0.547933253640.636262495237-0.123125095636-0.1358225145660.6243808471440.09907428066610.685056054587-50.197-89.312-0.339
459.02191508555-7.081438422753.574191096648.56384365166-2.468017652616.03274024972-0.0601782325760.177479117646-0.0283740994872-0.0769091692681-0.0658062824362-0.4353437515090.1459780654170.4166951188840.1090351339520.433842701424-0.04621522173540.02666632009550.343069069191-0.02410687065440.38201084238-47.6-75.496-15.697
463.141071386870.598410920857-2.727216864073.696127813794.25247690658.719369283990.846043071836-0.985112202795-0.953227240121-1.06318810382-0.0121624347238-0.3601790544470.3192983101471.58843159455-0.8316474684820.3652594564010.0876900036786-0.04483737324260.717185632408-0.1461967481930.579048923162-41.318-84.232-13.058
477.32553351383.3704241959-5.054529168158.59536638517-0.7559594240767.063652853710.166150440114-0.2550708465380.6599579856510.333783006346-0.117125680961-0.354732040128-0.2910862158310.575830895934-0.1021908389430.284346125078-0.0238899939258-0.05365465042580.3487825549120.007508652235810.390957339201-11.884-16.98-19.967
484.08138027993-0.364802427467-4.742525103963.7017372714.054044200679.148375465770.367074734366-0.4997320575321.14689502628-0.9625302121810.506348777668-0.541911792041-0.6467431817980.880544096991-0.72502429750.365793438901-0.06586043258730.03106171844380.4399172172150.04326219075720.420696091477-6.828-22.073-29.465
495.33413494006-0.648519514749-2.795658526495.84532901173-4.199270257418.684188500950.0432331914493-1.027211405670.1914481286190.455994087941-0.343968218444-0.545940137752-0.1945653516981.40093592920.3439416994550.2968866012050.0732782124994-0.03487191212610.565608744932-0.06143465152970.470716000956-9.009-31.489-23.337
503.919120349662.96414491062-3.578072923364.41497345106-1.3924253433.804794913880.0543306188352-0.0204943369383-0.325900218525-0.213770000684-0.00139127691170.1492202135440.4045751299770.22893494617-0.06167027598490.4389849065160.0934142470722-0.05733487788670.3558769397490.05769339470110.385642669347-21.154-40.226-27.11
516.09665825298-1.9000932125-0.4139298431452.19515172235-0.9586434910177.389282877080.125879255703-0.77242174767-0.9209749029240.2356610849880.1336420428950.06562258005821.089239439110.379542756375-0.1654893156540.52031119621-0.000294549912238-0.1024859495430.3293511992150.06053254448950.410731343132-33.848-40.589-22.021
523.88131147303-1.563576885410.1731755540612.169387232421.336266426452.74923418417-0.07369265683170.09052866231450.310145657710.05487038486370.04434698332780.218156609560.032306660008-0.3796113964950.007359714928090.2085883523880.004102226306-0.00132159957050.261956497548-0.01320969583870.273220516595-45.264-20.552-32.213
533.059795150823.107731654894.011819248284.648732206826.061318847757.90955666734-0.483028182364-0.3223369847770.7260335891811.049983134760.732238616655-0.1842024599280.07286374002250.365600886467-0.2595984001870.428464944040.1305006712120.03918088557620.416799659799-0.03754220496180.54760197934-39.763-0.377-24.698
543.840302959821.43340460795-0.4626636373647.346680640213.81338994214.832599386640.128380274341-0.1641410153171.182401143170.2963759260930.01502012397761.12670540945-0.73809909633-0.408423058209-0.1175248053750.4347139847690.0847099714580.07174221059880.419156298362-0.1139942057690.673023232944-32.0892.098-19.956
552.85736610446-0.9369587108331.356758678452.52223452980.1114714040292.532703304560.0469720333449-0.605000468420.2588292693170.278525464732-0.01404829106560.209858762274-0.180114395102-0.414423762186-0.02564094130260.300240917964-0.0005080682291060.05904982840310.365008154379-0.05782140545220.317282881083-35.982-17.18-17.131
564.61209321572.839269166914.962995853262.501457092252.188759944065.361902378890.706201229285-1.682774684620.1284739177510.688994866218-0.4606101960070.2107871291680.462672124024-0.520834387921-0.3116693492060.510226784132-0.06415694838370.0304578275140.5194068051410.05195130289040.330223075135-32.855-26.946-8.878
576.785702429646.354302125845.642180918175.941434228655.2776569214.690981642010.0646137965714-1.175266765760.6663481388021.351254900160.5028206145862.126241356210.141790902498-1.83185909336-0.5057733578050.49597604432-0.0401767306790.08600305830690.8451312842040.1369368071780.629306511371-50.523-27.792-16.242
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 203:208 )A203 - 208
2X-RAY DIFFRACTION2( CHAIN A AND RESID 209:215 )A209 - 215
3X-RAY DIFFRACTION3( CHAIN A AND RESID 220:230 )A220 - 230
4X-RAY DIFFRACTION4( CHAIN A AND RESID 231:329 )A231 - 329
5X-RAY DIFFRACTION5( CHAIN A AND RESID 330:338 )A330 - 338
6X-RAY DIFFRACTION6( CHAIN A AND RESID 339:364 )A339 - 364
7X-RAY DIFFRACTION7( CHAIN A AND RESID 365:391 )A365 - 391
8X-RAY DIFFRACTION8( CHAIN A AND ( RESID 392:393 OR RESID 401:403 ) )A392 - 393
9X-RAY DIFFRACTION8( CHAIN A AND ( RESID 392:393 OR RESID 401:403 ) )A401 - 403
10X-RAY DIFFRACTION9( CHAIN B AND RESID 14:29 )B14 - 29
11X-RAY DIFFRACTION10( CHAIN B AND RESID 30:54 )B30 - 54
12X-RAY DIFFRACTION11( CHAIN B AND RESID 55:75 )B55 - 75
13X-RAY DIFFRACTION12( CHAIN B AND RESID 76:81 )B76 - 81
14X-RAY DIFFRACTION13( CHAIN B AND RESID 82:103 )B82 - 103
15X-RAY DIFFRACTION14( CHAIN B AND RESID 104:124 )B104 - 124
16X-RAY DIFFRACTION15( CHAIN B AND RESID 125:128 )B125 - 128
17X-RAY DIFFRACTION16( CHAIN B AND RESID 129:162 )B129 - 162
18X-RAY DIFFRACTION17( CHAIN B AND RESID 163:190 )B163 - 190
19X-RAY DIFFRACTION18( CHAIN B AND RESID 191:207 )B191 - 207
20X-RAY DIFFRACTION19( CHAIN B AND RESID 208:219 )B208 - 219
21X-RAY DIFFRACTION20( CHAIN B AND RESID 220:232 )B220 - 232
22X-RAY DIFFRACTION21( CHAIN B AND RESID 233:286 )B233 - 286
23X-RAY DIFFRACTION22( CHAIN B AND RESID 287:303 )B287 - 303
24X-RAY DIFFRACTION23( CHAIN B AND RESID 304:328 )B304 - 328
25X-RAY DIFFRACTION24( CHAIN B AND RESID 329:335 )B329 - 335
26X-RAY DIFFRACTION25( CHAIN B AND RESID 336:367 )B336 - 367
27X-RAY DIFFRACTION26( CHAIN B AND RESID 368:390 )B368 - 390
28X-RAY DIFFRACTION27( CHAIN B AND ( RESID 391:393 OR RESID 401:404 ) )B391 - 393
29X-RAY DIFFRACTION27( CHAIN B AND ( RESID 391:393 OR RESID 401:404 ) )B401 - 404
30X-RAY DIFFRACTION28( CHAIN C AND RESID 13:38 )C13 - 38
31X-RAY DIFFRACTION29( CHAIN C AND RESID 39:69 )C39 - 69
32X-RAY DIFFRACTION30( CHAIN C AND RESID 70:96 )C70 - 96
33X-RAY DIFFRACTION31( CHAIN C AND RESID 97:103 )C97 - 103
34X-RAY DIFFRACTION32( CHAIN C AND RESID 104:120 )C104 - 120
35X-RAY DIFFRACTION33( CHAIN C AND RESID 121:124 )C121 - 124
36X-RAY DIFFRACTION34( CHAIN C AND RESID 130:133 )C130 - 133
37X-RAY DIFFRACTION35( CHAIN C AND RESID 134:189 )C134 - 189
38X-RAY DIFFRACTION36( CHAIN C AND RESID 190:207 )C190 - 207
39X-RAY DIFFRACTION37( CHAIN C AND RESID 208:216 )C208 - 216
40X-RAY DIFFRACTION38( CHAIN C AND RESID 217:248 )C217 - 248
41X-RAY DIFFRACTION39( CHAIN C AND RESID 249:269 )C249 - 269
42X-RAY DIFFRACTION40( CHAIN C AND RESID 270:293 )C270 - 293
43X-RAY DIFFRACTION41( CHAIN C AND RESID 294:301 )C294 - 301
44X-RAY DIFFRACTION42( CHAIN C AND RESID 302:338 )C302 - 338
45X-RAY DIFFRACTION43( CHAIN C AND RESID 339:356 )C339 - 356
46X-RAY DIFFRACTION44( CHAIN C AND RESID 357:363 )C357 - 363
47X-RAY DIFFRACTION45( CHAIN C AND RESID 368:387 )C368 - 387
48X-RAY DIFFRACTION46( CHAIN C AND RESID 388:391 )C388 - 391
49X-RAY DIFFRACTION47( CHAIN A AND RESID 14:28 )A14 - 28
50X-RAY DIFFRACTION48( CHAIN A AND RESID 29:35 )A29 - 35
51X-RAY DIFFRACTION49( CHAIN A AND RESID 36:52 )A36 - 52
52X-RAY DIFFRACTION50( CHAIN A AND RESID 53:74 )A53 - 74
53X-RAY DIFFRACTION51( CHAIN A AND RESID 75:96 )A75 - 96
54X-RAY DIFFRACTION52( CHAIN A AND RESID 97:120 )A97 - 120
55X-RAY DIFFRACTION53( CHAIN A AND RESID 121:127 )A121 - 127
56X-RAY DIFFRACTION54( CHAIN A AND RESID 128:134 )A128 - 134
57X-RAY DIFFRACTION55( CHAIN A AND RESID 135:175 )A135 - 175
58X-RAY DIFFRACTION56( CHAIN A AND RESID 176:197 )A176 - 197
59X-RAY DIFFRACTION57( CHAIN A AND RESID 198:202 )A198 - 202

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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

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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

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