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- PDB-6vcj: Crystal structure of hsDHFR in complex with NADP+, DAP, and R-naproxen -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 6vcj
TitleCrystal structure of hsDHFR in complex with NADP+, DAP, and R-naproxen
ComponentsDihydrofolate reductase
KeywordsOXIDOREDUCTASE / NADP+ / 2 / 4-diaminopyridine / R-naproxen / inhibitor / complex
Function / homology
Function and homology information


regulation of removal of superoxide radicals / tetrahydrobiopterin biosynthetic process / Metabolism of folate and pterines / tetrahydrofolate metabolic process / response to methotrexate / sequence-specific mRNA binding / folic acid binding / axon regeneration / dihydrofolate metabolic process / G1/S-Specific Transcription ...regulation of removal of superoxide radicals / tetrahydrobiopterin biosynthetic process / Metabolism of folate and pterines / tetrahydrofolate metabolic process / response to methotrexate / sequence-specific mRNA binding / folic acid binding / axon regeneration / dihydrofolate metabolic process / G1/S-Specific Transcription / folic acid metabolic process / dihydrofolate reductase / dihydrofolate reductase activity / NADPH binding / Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation / tetrahydrofolate biosynthetic process / mRNA regulatory element binding translation repressor activity / positive regulation of nitric-oxide synthase activity / one-carbon metabolic process / NADP binding / negative regulation of translation / mRNA binding / mitochondrion / cytosol
Similarity search - Function
Dihydrofolate reductase / Dihydrofolate reductase conserved site / Dihydrofolate reductase (DHFR) domain signature. / Dihydrofolate reductase (DHFR) domain profile. / Dihydrofolate reductase domain / Dihydrofolate reductase / Dihydrofolate reductase-like domain superfamily
Similarity search - Domain/homology
FOLIC ACID / PYRIMIDINE-2,4-DIAMINE / NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid / Dihydrofolate reductase
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.34 Å
AuthorsPedersen, L.C. / London, R.E. / Gabel, S.A. / Krahn, J.M. / DeRose, E.F.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of Environmental Health Sciences (NIH/NIEHS)ZIA ES050111 United States
National Institutes of Health/National Institute of Environmental Health Sciences (NIH/NIEHS)ZIA ES102645 United States
CitationJournal: J.Med.Chem. / Year: 2020
Title: The Structural Basis for Nonsteroidal Anti-Inflammatory Drug Inhibition of Human Dihydrofolate Reductase.
Authors: Duff Jr., M.R. / Gabel, S.A. / Pedersen, L.C. / DeRose, E.F. / Krahn, J.M. / Howell, E.E. / London, R.E.
History
DepositionDec 21, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 28, 2020Provider: repository / Type: Initial release
Revision 1.1Oct 11, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Dihydrofolate reductase
B: Dihydrofolate reductase
C: Dihydrofolate reductase
D: Dihydrofolate reductase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)92,25220
Polymers86,1514
Non-polymers6,10116
Water1,36976
1
A: Dihydrofolate reductase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)23,0635
Polymers21,5381
Non-polymers1,5254
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
B: Dihydrofolate reductase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)23,0635
Polymers21,5381
Non-polymers1,5254
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
3
C: Dihydrofolate reductase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)23,0635
Polymers21,5381
Non-polymers1,5254
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
4
D: Dihydrofolate reductase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)23,0635
Polymers21,5381
Non-polymers1,5254
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)38.397, 124.457, 84.614
Angle α, β, γ (deg.)90.000, 96.346, 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

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Components

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Protein , 1 types, 4 molecules ABCD

#1: Protein
Dihydrofolate reductase


Mass: 21537.775 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: DHFR / Production host: Escherichia coli K-12 (bacteria) / References: UniProt: P00374, dihydrofolate reductase

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Non-polymers , 5 types, 92 molecules

#2: Chemical
ChemComp-LG3 / PYRIMIDINE-2,4-DIAMINE


Mass: 110.117 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C4H6N4 / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical
ChemComp-NPX / (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid / (R)-Naproxen


Mass: 230.259 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C14H14O3 / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical
ChemComp-NAP / NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE


Mass: 743.405 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C21H28N7O17P3
#5: Chemical
ChemComp-FOL / FOLIC ACID


Mass: 441.397 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Formula: C19H19N7O6
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 76 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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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: 2.33 Å3/Da / Density % sol: 47.26 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.4
Details: Protein solution: 9mg/ml in 50mM NaCl, 10mM Tris, 5mM NADP+, 10mM 2,4-diaminopyrimidine, 20mM R-Naproxen Mother Liquor: 20% PEG 20,000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Apr 21, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.339→50 Å / Num. obs: 31414 / % possible obs: 94.6 % / Redundancy: 2.8 % / Biso Wilson estimate: 31.16 Å2 / CC1/2: 0.995 / Rpim(I) all: 0.07 / Rrim(I) all: 0.122 / Rsym value: 0.1 / Net I/σ(I): 7.8
Reflection shellResolution: 2.339→2.39 Å / Mean I/σ(I) obs: 1.86 / Num. unique obs: 1495 / CC1/2: 0.61 / Rpim(I) all: 0.385 / Rsym value: 0.516

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4M6J

4m6j


Resolution: 2.34→42.05 Å / SU ML: 0.2818 / Cross valid method: FREE R-VALUE / σ(F): 1.38 / Phase error: 25.6832
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2382 1570 5 %
Rwork0.1916 29816 -
obs0.194 31386 94.07 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 37.18 Å2
Refinement stepCycle: LAST / Resolution: 2.34→42.05 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5734 0 420 76 6230
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0036346
X-RAY DIFFRACTIONf_angle_d0.56928652
X-RAY DIFFRACTIONf_chiral_restr0.0452921
X-RAY DIFFRACTIONf_plane_restr0.00241076
X-RAY DIFFRACTIONf_dihedral_angle_d14.11912223
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.34-2.410.31791260.27332392X-RAY DIFFRACTION82.05
2.41-2.50.3331410.25522686X-RAY DIFFRACTION95.19
2.5-2.60.30391480.23752803X-RAY DIFFRACTION97.26
2.6-2.720.26351470.22412792X-RAY DIFFRACTION97.32
2.72-2.860.30241450.23532761X-RAY DIFFRACTION96.77
2.86-3.040.27381460.22042782X-RAY DIFFRACTION96.44
3.04-3.280.30851460.22382783X-RAY DIFFRACTION96.51
3.28-3.610.25651330.19382521X-RAY DIFFRACTION87.94
3.61-4.130.17651480.16272814X-RAY DIFFRACTION97.4
4.13-5.20.19021460.13982755X-RAY DIFFRACTION95.33
5.2-42.050.17451440.16022727X-RAY DIFFRACTION92.82
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)
10.3271469720930.0863436574256-0.02959808878170.874267970369-5.52267618977E-50.006179810569320.186101410692-0.0184460916719-0.0827591451868-0.163795112352-0.1307242161750.2020528116850.03962156360260.1956448541030.02721698752780.252009169790.09872743378090.01500019588940.2533716219240.0006853919329070.12627299298310.6925770254-1.7884676397833.0424311665
20.07121174855670.143007608940.1802273860560.5093331140460.5229820177730.577115230353-0.218233007885-0.2042076767060.06363602656250.004625195680520.02784129257070.125152952347-0.2662413290590.000503236927794-0.1633258742660.2615618419740.148953683485-0.03722387262260.220357194207-0.01636229891830.1117559025925.3742266392710.579172678443.3359258493
30.00222555640117-0.0161714653586-0.005669427919820.4976238460650.15492758340.04840881565260.128115568180.08662726623740.110620590643-0.248473363601-0.131335503195-0.067143618836-0.193750781920.383625958965-0.002531952468180.197804722695-0.004720705317640.03619179338660.3453186460840.03173620656560.17181105300817.85774092460.55905787340644.7033674468
40.388700284374-0.1742528289920.2089817370460.227375014606-0.1217719540890.1578542795420.01794447101050.01158708647920.158342936595-0.0442914067867-0.177285799477-0.0543884584348-0.2255383584690.166050557744-0.01258357255610.213705841525-0.003348589844340.03382391943990.228557585070.002090073562890.11593843064514.4299770844.3297563971849.0382076508
50.09384646372760.0448755879720.1245069729990.236203548223-0.006876431606680.184072244690.0494361713506-0.177431649101-0.0483649883370.383113309886-0.03242012060050.02836032956240.0507134511942-0.1739605627340.002083570434610.200825291140.04095076717180.006695809005250.2201695873330.02876555161120.1514711994929.71081094333-2.4054111931354.325076344
60.004773389816650.00493381742611-0.001963874098480.00575139527953-0.004063419477540.00554642031308-0.1133368290210.0143577269731-0.1688095091270.02848829033380.0901394356006-0.1878708550530.00846033874677-0.2046462735694.22771653129E-60.3089171192910.11231144322-0.01384043409860.2196248455280.006355718776820.2259059174914.54018202939-10.16265922942.6595846935
70.0287837446769-0.1287172222140.0456805813141.23687046937-0.1849079773150.1154518158160.1173196597260.172440076386-0.0398267682942-0.457727007411-0.06434169979010.268801837160.02634940741420.1243124390780.1166957852380.2584127623140.0882176815388-0.03834019168390.26504353441-0.0451695084720.1686240055570.981955648628-0.98597576558133.0424329155
80.07228494810470.007341648832330.00387537904440.2092797035780.06163191992270.01912758457930.08793783768190.100784649722-0.244967809439-0.254901678251-0.307769547980.3324971555150.0227598693327-0.0515228660914-0.02219580485410.2436920839720.0427781075874-0.03394588059020.241430266742-0.07006119722650.283045135699-1.799409013071.0146178254133.3478600643
90.0697306319119-0.0744252710451-0.03858291917860.2697611408990.1586604935230.0921807997970.0755567643432-0.2870300394530.08649014524920.04945826442430.0511029019387-0.0353362729251-0.2638182706310.06262492530810.01417911104440.1531053363790.03120329201850.0518675082280.2971746458760.04859111304170.1354278076128.77859722136-4.2460415671490.3261681782
100.01024008456320.005885455377830.01034983804320.00313032003540.007391789942490.014593126082-0.121701800223-0.1549354235720.1162616574060.0742796489215-0.0942235544422-0.0377081933835-0.161865616104-0.0139348622922-1.86661389389E-70.282701446127-0.04701441614260.01783701352870.259097098162-0.1056087295450.29637212154411.72648483377.5340172266387.395361645
110.103546161692-0.07175614076850.2397923515630.054210942385-0.1682073704630.5532571123550.0414554751873-0.1715508346690.02199493743160.0650419020305-0.06197143371190.100975880554-0.416327417869-0.202740187438-0.02787382480490.25748612397-2.32450444718E-50.08835232978450.182863479005-0.03774877096980.2382922939546.577358148253.921222256777.4243070765
120.452864349308-0.07714596109250.02744496767070.0192542750104-0.005738027806330.0009470480980470.09491564520090.350176270922-0.249842900412-0.0717837463067-0.0671068007811-0.02211870674220.162248575406-0.04692760396640.004312049333490.2473379197220.04480555296720.0352232388650.159172937334-0.01533895109830.1560734662285.92698180293-5.45470511169.5252303948
130.0346236280356-0.002526006612870.0134174655220.0007037333158980.002574615020710.01577486814280.05835611394150.00709140578611-0.0153345209145-0.05271267912410.04459560615320.0575863162078-0.2255159732150.0569930108304-1.17061640645E-60.202772834099-0.0579286533320.03701091166850.1955754808250.02368857944250.1651393622315.84801399441.5921834379570.4385864563
140.05117332041560.0682993758346-0.004288527500250.1302020437770.01154088229550.081199311543-0.0503279301176-0.142196654139-0.3214589128740.1496214454540.15269748174-0.1676018721810.1101282074230.1493669942730.01422925214850.191117728932-0.01899838648850.02037402522960.3118406293660.05378800743720.28525003088517.807023563-7.5035864638983.0186793527
15-0.000225856504168-2.9108943841E-5-0.0006741397713690.0005001462431490.0002210014443210.0002091347888680.0613060891723-0.204141753968-0.03613238224030.264612128317-0.01905342701830.0785654846718-0.116098079037-0.09233233298150.08991484755070.42019193577-0.02252699273480.1100979460790.5606441852020.1750331514320.1994980853847.11258161038-9.1448687127796.2080284255
160.5742397016690.428010990738-0.549389499211.00616646313-0.4491562848880.551241737581-0.119128846846-0.674232791638-0.1334034766510.343028605195-0.129003389288-0.386527800012-0.2572166864460.25857665659-0.1415609844770.278536168163-0.0149450805368-0.06672178474150.484958310152-0.04130752240870.31702363647721.2272452696-1.3450924304892.1212431871
170.1052900058680.1168488228210.05221174365270.2595165545-0.07919514600640.174635268687-0.247615970420.0428920033208-0.23052537144-0.0896006648899-0.1147722671260.3826829957580.05377590645740.139671579588-0.06597363093130.2508623368750.01505330022150.03855955683940.290375339617-0.1081137702940.27172010786411.518492596633.410030973967.5823959827
180.1705954067630.134198728158-0.1202623955870.106612864876-0.09776722593410.0912953202652-0.0409164061889-0.024812373381-0.002748499880230.15213327836-0.0256395025279-0.04699019016060.062371170578-0.0140791756648-0.09756497782250.3985015741810.02199044291050.09088403877490.09833275088790.07972897535070.27330040490219.955009606624.141824973970.5779708095
190.0844501837530.02630759770430.02268367849150.02189950210370.01847245423460.047535293126-0.08410651438220.0133090935924-0.07366505984050.236440036463-0.0766536419379-0.200195661606-0.1131908851880.184296904501-0.000375894991390.211734169099-0.0179541291880.0082026104590.1959369777240.006318812109820.21623229754426.598140333932.015415270663.0428925076
200.170835501983-0.0782246065358-0.01076548334770.08332480122790.06929706462880.0777957480048-0.2329069067090.0909195803251-0.0449123560316-0.02440537557830.151688658774-0.10653278347-0.1033646756970.2365685185610.0004088022644950.336236321085-0.0442894177911-0.0366606282780.2209097506820.043268872350.20421403527828.739159790839.272603765761.8784168322
211.11040240815-0.1388558460740.5675055380980.393451925344-0.2174994178130.359371719083-0.2616451711820.325872945235-0.00432558921202-0.0181342701242-0.04926205548730.0552113164567-0.02735964517320.00262109709993-0.5033582776250.199894163613-0.003389178644560.03057240122680.16993881773-0.07523681591630.16988491311916.403777699931.781177681358.9832535006
220.652193652044-0.32222418615-0.01777379993510.504487673314-0.08244860838010.0251195676874-0.2427063912350.1090529171930.140954957679-0.0654877718695-0.01808119527290.00576886719308-0.0553876396685-0.0925541107379-0.0976098868060.4053381447250.0229449713836-0.06630399609240.531509409206-0.2084368137150.3178598582546.4454278136427.689515201152.477684975
230.35826364983-0.2479551326930.04126986400140.181744085615-0.05000615151290.0822948136803-0.155149483546-0.0316604051016-0.3429439991830.0171223293279-0.104136388470.2683615255470.340602769914-0.2531837041830.0871575965160.361257154346-0.09067540447320.218457754780.272663624879-0.07179108948860.34743476169310.041244663320.432422201464.9041104861
240.1438610954430.0373818447624-0.046060039290.1971970445510.08017640654060.0714599606526-0.00587777526879-0.01055236996550.05368551036050.255448647895-0.1542188241490.3475941824590.298916600705-0.1228767467390.00715181441680.25743765955-0.0501502369154-0.02573753714150.1737602171020.004043067709210.295967346797-2.59829428503-27.159597911670.2984030635
250.09605180800060.0949560096745-0.09248307800660.105741041781-0.09848527730660.09261807185310.0699389091777-0.1234195144320.03162215781140.0733975525512-0.1218617854150.0831449332681-0.0289360454749-0.000751917930256-0.1122663901040.113584415064-0.1007251674120.04050643479610.207201942904-0.04711909141650.514195936219-10.6163287203-35.234757744365.5237560102
260.2807776298950.293176436946-0.2724800084210.333284836307-0.3488532683020.428432403715-0.130159728649-0.00869242584385-0.120233207394-0.09103239299530.0702324333157-0.01376112426220.2915176247310.133432072967-0.07306406588950.2102103669180.054589403045-0.07369660399810.204715094663-0.03896038075560.404424998162-0.0446666345733-38.870135802159.9833224845
270.07291705619640.08397103314010.01962686215350.1114822218920.02937754959840.04798778647160.0336828488441-0.0419199324144-0.1121673792830.0633890610240.0328738808973-0.01241519179280.05493727282880.04315375059180.1116267275640.0997931755611-0.130235423089-0.03448489190210.145731043215-0.06439921504940.5535567677996.12527823733-42.267652261264.1776834012
280.003041217894120.00474819343583-0.00511051262090.00794316965573-0.006495096116640.006495555409370.1816471592240.2597143701610.0979641079081-0.1871261027350.162225677883-0.1833976669460.004938274543560.120951285322-1.96161911494E-60.302284444745-0.09650652887370.03120225747780.392381741443-0.06876126694540.44697057519.93689340768-36.283760723152.8879001621
290.00584665558845-0.00313831657893-0.00335704251070.00934057987248-0.003840929459230.00474493320077-0.1269580351430.178617840976-0.0516359741241-0.1767390004860.107868826749-0.09405388468030.007145267818860.04911057969271.26064423477E-50.437778977422-0.161797154759-0.08497442557440.462308927016-0.004608570563060.413278496067-0.128526411628-41.154160432648.000790507
300.0245267153208-0.00916303143444-0.04701876929880.003551850483410.01868817460180.0902343535473-0.0548472794958-0.003955639884920.0399094309713-0.1084598894950.111616800583-0.00429408527736-0.1846883310720.247775266771-0.027246572180.1860243723-0.0913871805641-0.06548836809330.1695809912760.02171284638730.3169542314973.05686138268-27.421020434559.8213928067
311.06372321252-0.218758332994-0.413231980430.2136455239720.2089375712310.2564250097410.04940226335040.3125136513970.263479706802-0.240568166251-0.2570968491280.468386084955-0.04929290024980.0693513379842-0.0116003658680.3599338128010.0386400444008-0.06289418838960.273868412745-0.01401083112520.335805042232-4.47188302232-24.148080512258.0256525643
320.132083598301-0.0911473056319-0.02324935451580.2742003183250.2356201212190.214532969011-0.102139064176-0.1510200736310.4942886796630.0241079084017-0.2353700473550.522163316982-0.16180576301-0.240936811212-0.008574916395280.36244552444-0.075607703309-0.05906332318090.324487754945-0.08096771334450.547393088185-7.82859114525-21.403075179366.4121239815
330.0231846775381-0.0141740345992-0.01430965586450.07608671525750.002785167159110.0173766223637-0.2061830673390.02145546166560.175488618513-0.115605461147-0.1235633366380.548601772363-0.12796213359-0.0739949153741-0.004695837300730.32335212241-0.0466505417385-0.04115670210130.381398986831-0.01573148088620.476630435741-9.51627820373-22.061145292161.5686860454
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 3 through 27 )
2X-RAY DIFFRACTION2chain 'A' and (resid 28 through 48 )
3X-RAY DIFFRACTION3chain 'A' and (resid 49 through 64 )
4X-RAY DIFFRACTION4chain 'A' and (resid 65 through 75 )
5X-RAY DIFFRACTION5chain 'A' and (resid 76 through 117 )
6X-RAY DIFFRACTION6chain 'A' and (resid 118 through 126 )
7X-RAY DIFFRACTION7chain 'A' and (resid 127 through 174 )
8X-RAY DIFFRACTION8chain 'A' and (resid 175 through 186 )
9X-RAY DIFFRACTION9chain 'B' and (resid 2 through 27 )
10X-RAY DIFFRACTION10chain 'B' and (resid 28 through 39 )
11X-RAY DIFFRACTION11chain 'B' and (resid 40 through 70 )
12X-RAY DIFFRACTION12chain 'B' and (resid 71 through 100 )
13X-RAY DIFFRACTION13chain 'B' and (resid 101 through 117 )
14X-RAY DIFFRACTION14chain 'B' and (resid 118 through 138 )
15X-RAY DIFFRACTION15chain 'B' and (resid 139 through 148 )
16X-RAY DIFFRACTION16chain 'B' and (resid 149 through 185 )
17X-RAY DIFFRACTION17chain 'C' and (resid 2 through 27 )
18X-RAY DIFFRACTION18chain 'C' and (resid 28 through 39 )
19X-RAY DIFFRACTION19chain 'C' and (resid 40 through 59 )
20X-RAY DIFFRACTION20chain 'C' and (resid 60 through 101 )
21X-RAY DIFFRACTION21chain 'C' and (resid 102 through 148 )
22X-RAY DIFFRACTION22chain 'C' and (resid 149 through 158 )
23X-RAY DIFFRACTION23chain 'C' and (resid 159 through 186 )
24X-RAY DIFFRACTION24chain 'D' and (resid 2 through 27 )
25X-RAY DIFFRACTION25chain 'D' and (resid 28 through 39 )
26X-RAY DIFFRACTION26chain 'D' and (resid 40 through 59 )
27X-RAY DIFFRACTION27chain 'D' and (resid 60 through 87 )
28X-RAY DIFFRACTION28chain 'D' and (resid 88 through 101 )
29X-RAY DIFFRACTION29chain 'D' and (resid 102 through 111 )
30X-RAY DIFFRACTION30chain 'D' and (resid 112 through 126 )
31X-RAY DIFFRACTION31chain 'D' and (resid 127 through 138 )
32X-RAY DIFFRACTION32chain 'D' and (resid 139 through 174 )
33X-RAY DIFFRACTION33chain 'D' and (resid 175 through 186 )

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