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- PDB-9s6b: Aeropyrum pernix acylaminoacyl peptidase co-crystallized with mer... -

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Basic information

Entry
Database: PDB / ID: 9s6b
TitleAeropyrum pernix acylaminoacyl peptidase co-crystallized with meropenem.
ComponentsAcylamino-acid-releasing enzyme
KeywordsHYDROLASE / serine protease / HbPG / ligand binding
Function / homology
Function and homology information


acylaminoacyl-peptidase / omega peptidase activity / serine-type endopeptidase activity / proteolysis / cytoplasm
Similarity search - Function
: / Acylamino-acid-releasing enzyme-like, N-terminal domain / Peptidase S9, prolyl oligopeptidase, catalytic domain / Prolyl oligopeptidase family / Alpha/Beta hydrolase fold
Similarity search - Domain/homology
(2R,2'R)-3,3'-oxydipropane-1,2-diol / Acylamino-acid-releasing enzyme
Similarity search - Component
Biological speciesAeropyrum pernix K1 (archaea)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å
AuthorsHarmat, V. / Takacs, L. / Kiss-Szeman, A. / Banoczi, Z. / Jakli, I. / Hosogi, N. / Traore, D.A.K. / Perczel, A. / Menyhard, D.K.
Funding supportEuropean Union, Hungary, 4items
OrganizationGrant numberCountry
European Regional Development FundVEKOP-2.3.3-15-2017-00018European Union
Hungarian National Research, Development and Innovation Office2018-1.2.1-NKP-2018-00005 Hungary
European Regional Development FundRRF-2.3.1-21-2022-00015European Union
Hungarian National Research, Development and Innovation Office2020-1.1.6-JOVO-2021-00010 Hungary
CitationJournal: Protein Sci / Year: 2025
Title: Ligand binding Pro-miscuity of acylpeptide hydrolase, structural analysis of a detoxifying serine hydrolase.
Authors: Anna J Kiss-Szemán / Luca Takács / Imre Jákli / Zoltán Bánóczi / Naoki Hosogi / Daouda A K Traore / Veronika Harmat / András Perczel / Dóra K Menyhárd /
Abstract: Acylpeptide hydrolase (APEH) or acylaminoacyl-peptidase (AAP) is a serine hydrolase that regulates protein metabolism. It can also bind to and process unusual substrates, acting as a detoxifier. To ...Acylpeptide hydrolase (APEH) or acylaminoacyl-peptidase (AAP) is a serine hydrolase that regulates protein metabolism. It can also bind to and process unusual substrates, acting as a detoxifier. To better understand its promiscuous specificity, we determined the cryo-EM structures of mammalian APEH complexed with classical serine protease partners: a chloromethyl-ketone (CMK) inhibitor, an organophosphate (OP) pesticide (dichlorvos), and benzenesulfonyl-fluoride. Since CMK derivatives of N-acetylated peptides were suggested to induce apoptosis by inhibiting APEH, while OP complexes may serve as biomarkers of OP exposure and are linked to cognitive enhancement, these complexes carry physiological significance. We identified a unique strand-breaker Pro residue in the hydrolase domain, which relaxes the active site into a partially inactivated but more spacious conformation, transforming the classical serine protease apparatus into a versatile yet potent hydrolysis center with broad specificity, distinguishing the mammalian enzyme not only from other APEHs but also from serine α/β hydrolases sharing essentially the same fold.
History
DepositionJul 31, 2025Deposition site: PDBE / Processing site: PDBE
Revision 1.0Oct 22, 2025Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Acylamino-acid-releasing enzyme
B: Acylamino-acid-releasing enzyme
C: Acylamino-acid-releasing enzyme
D: Acylamino-acid-releasing enzyme
hetero molecules


Theoretical massNumber of molelcules
Total (without water)252,7577
Polymers252,2584
Non-polymers4993
Water4,522251
1
A: Acylamino-acid-releasing enzyme
B: Acylamino-acid-releasing enzyme
hetero molecules


Theoretical massNumber of molelcules
Total (without water)126,2953
Polymers126,1292
Non-polymers1661
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Acylamino-acid-releasing enzyme
D: Acylamino-acid-releasing enzyme
hetero molecules


Theoretical massNumber of molelcules
Total (without water)126,4614
Polymers126,1292
Non-polymers3322
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)71.042, 98.283, 98.902
Angle α, β, γ (deg.)105.510, 103.190, 100.390
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 5 through 7 or (resid 8...
d_2ens_1(chain "C" and (resid 5 through 37 or resid 39...
d_1ens_2(chain "B" and (resid 6 through 53 or resid 55...
d_2ens_2(chain "D" and (resid 6 through 31 or (resid 32...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11ens_1METMETLEULEUAA5 - 375 - 37
d_12ens_1VALVALSERSERAA39 - 8439 - 84
d_13ens_1GLNGLNVALVALAA89 - 9589 - 95
d_14ens_1THRTHRGLYGLYAA97 - 12197 - 121
d_15ens_1ALAALATHRTHRAA123 - 127123 - 127
d_16ens_1ASPASPASPASPAA132 - 140132 - 140
d_17ens_1LEULEUPROPROAA144 - 151144 - 151
d_18ens_1PHEPHEVALVALAA153 - 278153 - 278
d_19ens_1ALAALALEULEUAA280 - 351280 - 351
d_110ens_1SERSERALAALAAA353 - 427353 - 427
d_111ens_1TRPTRPALAALAAA429 - 554429 - 554
d_112ens_1ILEILEARGARGAA558 - 581558 - 581
d_21ens_1METMETLEULEUCC5 - 375 - 37
d_22ens_1VALVALVALVALCC39 - 9539 - 95
d_23ens_1THRTHRGLYGLYCC97 - 12197 - 121
d_24ens_1ALAALATHRTHRCC123 - 127123 - 127
d_25ens_1ASPASPASPASPCC132 - 140132 - 140
d_26ens_1LEULEUVALVALCC144 - 278144 - 278
d_27ens_1ALAALALEULEUCC280 - 351280 - 351
d_28ens_1SERSERALAALACC353 - 427353 - 427
d_29ens_1TRPTRPARGARGCC429 - 581429 - 581
d_11ens_2PROPROGLYGLYBB6 - 536 - 53
d_12ens_2GLUGLUHISHISBB55 - 7155 - 71
d_13ens_2GLYGLYGLYGLYBB73 - 16873 - 168
d_14ens_2PHEPHELEULEUBB170 - 187170 - 187
d_15ens_2VALVALLEULEUBB189 - 233189 - 233
d_16ens_2LEULEUALAALABB235 - 263235 - 263
d_17ens_2ARGARGSERSERBB265 - 481265 - 481
d_18ens_2ALAALAVALVALBB483 - 509483 - 509
d_19ens_2ARGARGGLUGLUBB511 - 580511 - 580
d_21ens_2PROPROHISHISDD6 - 716 - 71
d_22ens_2GLYGLYTHRTHRDD73 - 13073 - 130
d_23ens_2ARGARGGLYGLYDD133 - 168133 - 168
d_24ens_2PHEPHELEULEUDD170 - 187170 - 187
d_25ens_2VALVALLEULEUDD189 - 233189 - 233
d_26ens_2LEULEUALAALADD235 - 263235 - 263
d_27ens_2ARGARGTHRTHRDD265 - 493265 - 493
d_28ens_2SERSERVALVALDD496 - 509496 - 509
d_29ens_2ARGARGGLUGLUDD511 - 580511 - 580

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(0.123801115633, -0.624962258735, -0.770775881125), (-0.62263146839, -0.653740960863, 0.430061403361), (-0.772659911176, 0.426667237138, -0.470055029135)-20.1135602165, 16.7010081151, -38.308612502
2given(0.124305356438, -0.642437526366, -0.756189264059), (-0.624659229004, -0.642793449599, 0.443415638846), (-0.770940351766, 0.417241663631, -0.481207198771)-20.020920151, 16.2674776111, -38.0452921907

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Components

#1: Protein
Acylamino-acid-releasing enzyme / AARE / Acyl-peptide hydrolase / APH / Acylaminoacyl-peptidase


Mass: 63064.543 Da / Num. of mol.: 4 / Mutation: D524A
Source method: isolated from a genetically manipulated source
Details: D524A active site mutant / Source: (gene. exp.) Aeropyrum pernix K1 (archaea) / Gene: APE_1547.1 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9YBQ2, acylaminoacyl-peptidase
#2: Chemical ChemComp-1AX / (2R,2'R)-3,3'-oxydipropane-1,2-diol


Mass: 166.172 Da / Num. of mol.: 3 / Source method: isolated from a natural source / Formula: C6H14O5
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 251 / 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

CrystalDensity Matthews: 2.48 Å3/Da / Density % sol: 50.44 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5
Details: Reservoir: 0.45mM EDTA, 33mM sodium acetate buffer pH=5.0, 1.2% PEG Mw 4000; Protein solution: 0.24 mM in 20mM Tris pH=8.0, Meropenem solution: 62.5mM in methanol. Drop content: ...Details: Reservoir: 0.45mM EDTA, 33mM sodium acetate buffer pH=5.0, 1.2% PEG Mw 4000; Protein solution: 0.24 mM in 20mM Tris pH=8.0, Meropenem solution: 62.5mM in methanol. Drop content: reservoir/protein/meropenem solutions= 1/1/0.5 volume ratio. Crystals were soaked in 30%w/w HbPG solurion saturated with meropenem.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: PETRA III, EMBL c/o DESY / Beamline: P13 (MX1) / Wavelength: 0.9763 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Dec 5, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9763 Å / Relative weight: 1
ReflectionResolution: 2.3→40 Å / Num. obs: 105834 / % possible obs: 98.1 % / Redundancy: 3 % / Biso Wilson estimate: 62.56 Å2 / CC1/2: 0.997 / Rrim(I) all: 0.081 / Net I/σ(I): 9.36
Reflection shell
Resolution (Å)Mean I/σ(I) obsNum. unique obsCC1/2Rrim(I) allDiffraction-ID% possible all
2.3-2.361.0575650.5021.022195
2.36-2.421.3673180.6540.775194.2
2.42-2.491.5870580.750.637193.8
2.49-2.572.1572310.7820.726197.9
2.57-2.662.7571020.8610.582199.5
2.66-2.753.5768530.9170.433199.5
2.75-2.854.4466440.940.34199.6
2.85-2.975.6763700.9660.255199.8
2.97-3.17.1960950.9790.189199.5
3.1-3.259.5458260.9890.138199.4
3.25-3.4311.8755520.9920.101199.4
3.43-3.6414.0952240.9950.082199.2
3.64-3.8916.4849020.9950.07198.9
3.89-4.219.5945500.9960.059198.8
4.2-4.622.6341880.9950.053198.9
4.6-5.1424.5538290.9960.05198.8
5.14-5.9423.8833470.9960.049199
5.94-7.2723.828300.9960.051199.1
7.27-10.2927.2721790.9970.046198.6
10.29-4027.111710.9940.047196.5

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.3→39.22 Å / SU ML: 0.3741 / Cross valid method: FREE R-VALUE / σ(F): 1.95 / Phase error: 28.3786
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2286 2101 1.99 %
Rwork0.1968 103689 -
obs0.1974 105790 98.21 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 69.92 Å2
Refinement stepCycle: LAST / Resolution: 2.3→39.22 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms16639 0 23 251 16913
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002517100
X-RAY DIFFRACTIONf_angle_d0.562123285
X-RAY DIFFRACTIONf_chiral_restr0.04422659
X-RAY DIFFRACTIONf_plane_restr0.00423048
X-RAY DIFFRACTIONf_dihedral_angle_d11.68516006
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS0.500927084113
ens_2d_2BBX-RAY DIFFRACTIONTorsion NCS0.480495060564
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.3-2.350.36781290.37446684X-RAY DIFFRACTION94.85
2.35-2.410.34651510.3446579X-RAY DIFFRACTION94.48
2.41-2.480.33581360.31646629X-RAY DIFFRACTION94.1
2.48-2.550.35931360.29696777X-RAY DIFFRACTION96.16
2.55-2.630.29541480.28057063X-RAY DIFFRACTION99.72
2.63-2.730.29751580.25846993X-RAY DIFFRACTION99.61
2.73-2.840.31831510.24336999X-RAY DIFFRACTION99.71
2.84-2.970.2611580.23897024X-RAY DIFFRACTION99.82
2.97-3.120.29981560.2366965X-RAY DIFFRACTION99.68
3.12-3.320.30321310.22487007X-RAY DIFFRACTION99.47
3.32-3.570.2411300.19957029X-RAY DIFFRACTION99.27
3.57-3.930.22051260.18637004X-RAY DIFFRACTION99.17
3.93-4.50.15261230.15556991X-RAY DIFFRACTION99.07
4.5-5.670.18411320.1476969X-RAY DIFFRACTION99.09
5.67-39.220.16721360.16376976X-RAY DIFFRACTION99
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
10.0910883290810.27595813835-0.03773244405620.409929143097-0.3693020421990.596541835090.0374749095061-0.1390338176120.1161172564810.889621777274-0.17415773581-0.3431708129520.155129674949-0.149494030472-3.40553974345E-70.695142462276-0.0417471830179-0.07565628178920.4938473482980.01386890128040.586475502722-4.80650792064-20.139387873912.8768259358
21.77032826719-0.2865721375710.4386977911441.617589341550.550750235221.83652032881-0.1882653929010.08512389946430.287936513631-0.176283190141-0.0418509225647-0.0928805647715-0.1001299318110.3349132027241.55042502629E-60.579402269091-0.06855457682890.01731958505730.5008682663210.06010556757390.5254833560760.309345978411-32.4070201407-3.85944018387
31.54867047360.230696419537-0.4022039711940.365526158820.847822150351.37515296391-0.3254463293280.1841971182120.0295437000404-0.4439824954060.02736993592450.345435792776-0.1236736287-0.2727807915063.48011159666E-50.637072895657-0.00841284871339-0.1027782494650.5199945226740.0147839076140.543097415961-19.4762385579-35.7396451528-12.5844203142
40.7692210631840.2194185326050.2499519406280.575803450172-0.1774174779180.736786742969-0.087755344468-0.1730357396720.09632200013330.114126585745-0.1122999348650.30058128412-0.0267015416894-0.445844942396-5.02083496702E-50.5200264732340.0317217224736-0.03955227516190.576191825225-0.02813317819290.568297104717-22.8085753208-29.27763530768.33749568272
50.8573505928371.185321043520.5251373295912.84940649224-0.05827887564910.117395739632-0.235347429330.2824209565580.199744149682-0.3291245459840.09291616845470.310205773692-0.202082079639-0.106707559041-1.14777166358E-50.7106007161060.151896683135-0.2082834570230.64351233607-0.02344807544290.715207213533-19.6054237778-6.81751363925-3.33222785901
61.144718528611.19183304747-0.6827668234520.929586146528-0.5313073505271.07368243872-0.1195666516240.468525453987-0.108832428286-0.1722801724670.138306554913-0.03713018498560.03924628123130.233141867199-5.09892371508E-50.8198461557080.0868642961892-0.2304530916890.658806127297-0.03514112957180.701277096351-4.99253822494-2.30027175134-1.36213242156
70.604067178113-0.5293962791270.01326082745510.463205018421-0.6218987830931.532198156810.248552836107-0.0757884242006-0.2867418002250.131931267375-0.1774627388880.3830364269150.251991642775-0.13049240417-4.32199968527E-60.494969618463-0.00841603126919-0.02318504736370.504385486947-0.0451006563780.629843911487.5702661548314.515153826226.6258794867
81.18339732566-0.534831222732-0.3137600648221.56079643682-0.6841290091730.7253784797830.110161554402-0.0221697991389-0.0384775264874-0.103022226235-0.1141581557320.39384089329-0.173496355419-0.287802848532-6.05207403338E-50.4803048212890.03164015765270.06509709430050.508514174415-0.05849555459540.6435123119872.4349627072835.98889703123.3420577921
91.944560330410.254007304383-0.08255557910150.8260681591380.2298228664150.957368100140.1261344129350.2530428035950.307008447962-0.12972771806-0.184536787597-0.0792150508002-0.2808503571950.184483403171-7.93823598771E-50.5501716025690.002300570212910.1032413752040.5797098905950.05005765891720.50342868235723.691560869340.18490527315.8907772985
102.144045119480.6176242638640.8437292359051.20165321420.3760684365151.574937612220.2349686541480.169269410111-0.2599312987940.183176605958-0.0443175020702-0.1592293604530.2534079383310.4248317185930.0001735163205980.5353799306470.02374522915330.006763613810840.536888532162-0.01719267533120.50517017332224.094057123918.197073129125.9311525794
111.901850810850.4520209398741.18445655110.6513950272920.5472240980021.205244566470.3205792984810.931880458723-0.563153205496-0.0131383787740.286568674351-0.3309373787850.2068889309350.8299676819620.04453096685250.5660336871460.218544815377-0.04655773755390.957363252409-0.2854968113050.69858893057224.51606512228.553939512425.94530533301
123.732018540771.509138557950.1862724047811.817185719130.3535431625370.824590604815-0.2292987701421.82629568438-0.201986500641-0.3421135109530.319116217358-0.09919597688770.1662470640770.6747802202010.2315590551550.8039989798070.101134840573-0.07869417743351.25022388745-0.1739191933850.62217861987214.87240390247.71153661136-6.32097118562
131.86232885090.680130716242-0.2284588982050.22504469676-0.2968207084321.088971386710.250373541810.644753103395-0.310489059461-0.2868773739550.2605804082520.1106016431060.207048815506-0.0854811296169-0.0002448640938030.7418853510970.136724718919-0.158399223360.723683986309-0.1544685049840.7003887507225.3695982631.984956857320.50424304053
140.0930888347848-0.120053796560.1601888179280.501432462917-0.9549102756770.673789933904-0.1660821783010.707213067375-0.0218281257236-0.2796746977440.2363240301450.03038676971610.115102317458-0.0866890141270.0002003720855870.598573054863-0.03704798565240.02436111718460.584424896781-0.03584946471770.595323121413-17.813376542838.5747416963-49.2665148571
151.67191117752-0.665905173149-0.06694397124062.08390942727-0.1720425832312.781139205060.3104366316990.104713064943-0.2466010269180.153541996015-0.132502322989-0.6125089489680.545198816620.978050319658-0.0001374257630940.5649521582990.0552044715137-0.082156851080.8998301949380.02002352886410.8091802593285.6635193573741.811137614-43.1314869593
161.37722421732-0.03282584597050.1159717253771.59482600813-0.3893001603031.867749298630.0581670659616-0.09840184055890.1934943449660.174746767058-0.0641226893267-0.0999087732797-0.2273944695240.352099754263-1.46528516942E-50.552554996758-0.1469348888940.0249535523910.5884682844980.05446018915930.476243203769-6.9470781968456.4757843525-39.8261073667
171.151523772330.8558533518090.4024280907693.557894536850.845708879232.369937106580.00947929036727-0.0887474513466-0.08875812920570.3183391805990.10120067208-0.201270463817-0.01522700933520.243267799466-4.55494552418E-60.512123200263-0.01646825171850.01055171459930.4665414699470.05417513957310.442043256004-18.493233458636.2456739127-25.7678395982
181.30469666628-0.860749216903-0.7767413663243.932387811310.8088323939131.584747998590.007699710188730.0246873471203-0.1445671697980.4329474810520.202722391681-0.4439945121250.04672182167420.3720538714133.71110924527E-50.482447287038-0.00278039121165-0.07165396881530.5235752407230.00154189965090.57953066575-17.162156238920.6115942147-29.7578634727
190.7488498807270.0729716836844-0.05437360511280.386135770542-0.4528293046861.059394673050.0629013207868-0.1214741458880.401478970416-0.0734325322944-0.1501500060490.169575433539-0.224610873613-0.3362675063332.30105454068E-50.504526009175-0.01282504152910.05116038562980.60059314197-0.1449795423330.620197314764-52.229533218410.8898443733-47.7208829997
200.3130430972610.471123175082-0.348415941891.0901149838-0.06344885316790.565985840785-0.115264385148-0.6600754023440.5120642577380.566261371963-0.05013227212310.1201782884190.140390926172-0.675863309875-0.0029803737340.698792702728-0.1111955029560.1523365519121.18223538861-0.232620670430.593523684731-60.15492749950.24829383537-33.3486717425
210.66519494885-0.649823848118-0.1703003924141.225003468740.2636079840440.792401534865-0.187660337368-0.479540225692-0.1601616137860.398807603401-0.05220692006070.1987597572510.714692764609-0.12128426285-0.004262369051940.755992647095-0.1592268426090.1222026409510.7860790051710.09020108884110.440858650935-56.2289855721-16.4183006759-41.4083148925
220.59986554843-0.5499070619750.3977078756250.448924159611-0.138505014230.289496962305-0.195388452441-0.0292955290405-0.234149486338-0.255364428249-0.0028524300268-0.03986044397730.488365795061-0.18751626006-3.0936720507E-50.746437366711-0.1470002998880.1092922664720.5019148553240.1019978797250.606580026337-51.687853155-20.7711543298-57.4783918897
230.4503618115910.5894654722910.3546097541331.624250380290.4238279041161.66106913359-0.1088504055040.03695660147010.216053528858-0.278188320459-0.003174001330490.1297125151680.229826599007-0.230571638781-1.02607994463E-50.455493822723-0.06760803849840.0177062622870.502926959320.01939601274340.485195317016-53.3411996774-5.28340051333-60.0546670797
240.5300728360220.655875700170.307603010680.6238441240810.590329802681-0.168683303192-0.2547789055640.2608238528390.359007897455-0.3015031375020.112886473550.130569072079-0.185915694958-0.0594488653263-0.0001194144548340.599679947066-0.02345815526450.01034152907810.5420513323710.02747597635890.569807724145-42.26775705827.08061958435-61.8221090787
251.247071808531.626212552820.5662152841032.04336492171.189387072961.98807422997-0.1929222268960.00619266278059-0.229085372395-0.140883926310.359825478767-0.4536075653240.1002066715650.2110512899177.75449348532E-50.499631875570.006330383999090.117574107590.481970401889-0.01832426409880.585576619049-26.7939515826-2.17141734768-56.4292828981
261.475071722270.5832783216550.7413354286612.344232892951.508241355842.436475164180.199721980387-0.0923261225453-0.4418063035730.4990338121660.330238727135-0.5230169464910.7870030310360.398685621001-7.6259295575E-50.6138385535250.078639317122-0.04279196093450.543250807674-0.04784734027910.753907516115-17.9273137128-0.607812315877-41.8568814408
270.5362353230770.04052305530630.7483962742571.625237961870.6420083271511.28387054613-0.0642307219108-0.136522312134-0.0527624848167-0.0555143733110.2181936283310.00815228164659-0.3151668155610.159581936518-6.65471391451E-50.426504418996-0.03837666027220.06780106670210.536167644623-0.003591889072450.56157879599-23.781165033113.8874930474-43.9286053446
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 5 through 42 )AA5 - 421 - 38
22chain 'A' and (resid 43 through 142 )AA43 - 14239 - 138
33chain 'A' and (resid 143 through 223 )AA143 - 223139 - 219
44chain 'A' and (resid 224 through 353 )AA224 - 353220 - 349
55chain 'A' and (resid 354 through 521 )AA354 - 521350 - 517
66chain 'A' and (resid 522 through 581 )AA522 - 581518 - 577
77chain 'B' and (resid 6 through 58 )BB6 - 581 - 53
88chain 'B' and (resid 59 through 142 )BB59 - 14254 - 135
99chain 'B' and (resid 143 through 253 )BB143 - 253136 - 246
1010chain 'B' and (resid 254 through 339 )BB254 - 339247 - 332
1111chain 'B' and (resid 340 through 432 )BB340 - 432333 - 425
1212chain 'B' and (resid 433 through 528 )BB433 - 528426 - 519
1313chain 'B' and (resid 529 through 580 )BB529 - 580520 - 569
1414chain 'C' and (resid 5 through 42 )CC5 - 421 - 38
1515chain 'C' and (resid 43 through 223 )CC43 - 22339 - 210
1616chain 'C' and (resid 224 through 323 )CC224 - 323211 - 310
1717chain 'C' and (resid 324 through 493 )CC324 - 493311 - 480
1818chain 'C' and (resid 494 through 581 )CC494 - 581481 - 565
1919chain 'D' and (resid 6 through 82 )DD6 - 821 - 76
2020chain 'D' and (resid 83 through 142 )DD83 - 14277 - 136
2121chain 'D' and (resid 143 through 213 )DD143 - 213137 - 207
2222chain 'D' and (resid 214 through 246 )DD214 - 246208 - 240
2323chain 'D' and (resid 247 through 299 )DD247 - 299241 - 293
2424chain 'D' and (resid 300 through 339 )DD300 - 339294 - 333
2525chain 'D' and (resid 340 through 432 )DD340 - 432334 - 426
2626chain 'D' and (resid 433 through 541 )DD433 - 541427 - 534
2727chain 'D' and (resid 542 through 580 )DD542 - 580535 - 571

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