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- PDB-6th2: Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 6th2
TitleCrystal structure of Mycobacterium smegmatis CoaB in complex with CTP
ComponentsCoenzyme A biosynthesis bifunctional protein CoaBC
KeywordsLIGASE / CoaBC / bifunctional Phosphopantothenoylcysteine decarboxylase/phosphopantothenate-cysteine ligase / phosphopantothenate-cysteine ligase / Phosphopantothenoylcysteine decarboxylase / phosphopantothenoylcysteine synthetase
Function / homology
Function and homology information


pantothenate catabolic process / phosphopantothenoylcysteine decarboxylase / phosphopantothenate-cysteine ligase (CTP) / phosphopantothenate--cysteine ligase activity / phosphopantothenoylcysteine decarboxylase complex / phosphopantothenoylcysteine decarboxylase activity / coenzyme A biosynthetic process / FMN binding / metal ion binding
Similarity search - Function
Coenzyme A biosynthesis bifunctional protein CoaBC / DNA/pantothenate metabolism flavoprotein, C-terminal / CoaB-like superfamily / DNA/pantothenate metabolism flavoprotein C-terminal domain / Flavoprotein / Flavin prenyltransferase-like / Flavoprotein
Similarity search - Domain/homology
ACETATE ION / CYTIDINE-5'-TRIPHOSPHATE / Coenzyme A biosynthesis bifunctional protein CoaBC
Similarity search - Component
Biological speciesMycolicibacterium smegmatis MC2 155 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.844 Å
AuthorsMendes, V. / Blaszczyk, M. / Bryant, O. / Cory-Wright, J. / Blundell, T.L.
Funding support1items
OrganizationGrant numberCountry
Bill & Melinda Gates Foundation
CitationJournal: Nat Commun / Year: 2021
Title: Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Authors: Mendes, V. / Green, S.R. / Evans, J.C. / Hess, J. / Blaszczyk, M. / Spry, C. / Bryant, O. / Cory-Wright, J. / Chan, D.S. / Torres, P.H.M. / Wang, Z. / Nahiyaan, N. / O'Neill, S. / Damerow, S. ...Authors: Mendes, V. / Green, S.R. / Evans, J.C. / Hess, J. / Blaszczyk, M. / Spry, C. / Bryant, O. / Cory-Wright, J. / Chan, D.S. / Torres, P.H.M. / Wang, Z. / Nahiyaan, N. / O'Neill, S. / Damerow, S. / Post, J. / Bayliss, T. / Lynch, S.L. / Coyne, A.G. / Ray, P.C. / Abell, C. / Rhee, K.Y. / Boshoff, H.I.M. / Barry, C.E. / Mizrahi, V. / Wyatt, P.G. / Blundell, T.L.
History
DepositionNov 18, 2019Deposition site: PDBE / Processing site: PDBE
Revision 1.0Nov 25, 2020Provider: repository / Type: Initial release
Revision 1.1Jan 20, 2021Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Jan 24, 2024Group: 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 / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Coenzyme A biosynthesis bifunctional protein CoaBC
B: Coenzyme A biosynthesis bifunctional protein CoaBC
C: Coenzyme A biosynthesis bifunctional protein CoaBC
D: Coenzyme A biosynthesis bifunctional protein CoaBC
hetero molecules


Theoretical massNumber of molelcules
Total (without water)102,26521
Polymers99,0964
Non-polymers3,16917
Water11,115617
1
A: Coenzyme A biosynthesis bifunctional protein CoaBC
B: Coenzyme A biosynthesis bifunctional protein CoaBC
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,10310
Polymers49,5482
Non-polymers1,5558
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5770 Å2
ΔGint-22 kcal/mol
Surface area19950 Å2
MethodPISA
2
C: Coenzyme A biosynthesis bifunctional protein CoaBC
D: Coenzyme A biosynthesis bifunctional protein CoaBC
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,16211
Polymers49,5482
Non-polymers1,6149
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5540 Å2
ΔGint-22 kcal/mol
Surface area19340 Å2
MethodPISA
Unit cell
Length a, b, c (Å)76.502, 76.837, 149.055
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 184 through 190 or (resid 191...
21(chain B and (resid 184 through 215 or (resid 216...
31(chain C and (resid 184 through 190 or (resid 191...
41(chain D and (resid 184 through 190 or (resid 191...

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11HISHISVALVAL(chain A and (resid 184 through 190 or (resid 191...AA184 - 1907 - 13
12LYSLYSLYSLYS(chain A and (resid 184 through 190 or (resid 191...AA19114
13HISHISGLNGLN(chain A and (resid 184 through 190 or (resid 191...AA184 - 4127 - 235
14HISHISGLNGLN(chain A and (resid 184 through 190 or (resid 191...AA184 - 4127 - 235
15HISHISGLNGLN(chain A and (resid 184 through 190 or (resid 191...AA184 - 4127 - 235
16HISHISGLNGLN(chain A and (resid 184 through 190 or (resid 191...AA184 - 4127 - 235
17HISHISGLNGLN(chain A and (resid 184 through 190 or (resid 191...AA184 - 4127 - 235
18HISHISGLNGLN(chain A and (resid 184 through 190 or (resid 191...AA184 - 4127 - 235
21HISHISGLYGLY(chain B and (resid 184 through 215 or (resid 216...BB184 - 2157 - 38
22LYSLYSLYSLYS(chain B and (resid 184 through 215 or (resid 216...BB21639
23HISHISGLNGLN(chain B and (resid 184 through 215 or (resid 216...BB184 - 4127 - 235
24HISHISGLNGLN(chain B and (resid 184 through 215 or (resid 216...BB184 - 4127 - 235
25HISHISGLNGLN(chain B and (resid 184 through 215 or (resid 216...BB184 - 4127 - 235
26HISHISGLNGLN(chain B and (resid 184 through 215 or (resid 216...BB184 - 4127 - 235
27HISHISGLNGLN(chain B and (resid 184 through 215 or (resid 216...BB184 - 4127 - 235
28HISHISGLNGLN(chain B and (resid 184 through 215 or (resid 216...BB184 - 4127 - 235
31HISHISVALVAL(chain C and (resid 184 through 190 or (resid 191...CC184 - 1907 - 13
32LYSLYSLYSLYS(chain C and (resid 184 through 190 or (resid 191...CC19114
33HISHISGLNGLN(chain C and (resid 184 through 190 or (resid 191...CC184 - 4127 - 235
34HISHISGLNGLN(chain C and (resid 184 through 190 or (resid 191...CC184 - 4127 - 235
35HISHISGLNGLN(chain C and (resid 184 through 190 or (resid 191...CC184 - 4127 - 235
36HISHISGLNGLN(chain C and (resid 184 through 190 or (resid 191...CC184 - 4127 - 235
37HISHISGLNGLN(chain C and (resid 184 through 190 or (resid 191...CC184 - 4127 - 235
38HISHISGLNGLN(chain C and (resid 184 through 190 or (resid 191...CC184 - 4127 - 235
41HISHISVALVAL(chain D and (resid 184 through 190 or (resid 191...DD184 - 1907 - 13
42LYSLYSLYSLYS(chain D and (resid 184 through 190 or (resid 191...DD19114
43HISHISGLNGLN(chain D and (resid 184 through 190 or (resid 191...DD184 - 4127 - 235
44HISHISGLNGLN(chain D and (resid 184 through 190 or (resid 191...DD184 - 4127 - 235
45HISHISGLNGLN(chain D and (resid 184 through 190 or (resid 191...DD184 - 4127 - 235
46HISHISGLNGLN(chain D and (resid 184 through 190 or (resid 191...DD184 - 4127 - 235
47HISHISGLNGLN(chain D and (resid 184 through 190 or (resid 191...DD184 - 4127 - 235
48HISHISGLNGLN(chain D and (resid 184 through 190 or (resid 191...DD184 - 4127 - 235

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Components

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Protein , 1 types, 4 molecules ABCD

#1: Protein
Coenzyme A biosynthesis bifunctional protein CoaBC / DNA/pantothenate metabolism flavoprotein


Mass: 24773.990 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mycolicibacterium smegmatis MC2 155 (bacteria)
Gene: coaBC, MSMEG_3054 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: A0QWT2, phosphopantothenoylcysteine decarboxylase, phosphopantothenate-cysteine ligase (CTP)

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Non-polymers , 5 types, 634 molecules

#2: Chemical
ChemComp-CTP / CYTIDINE-5'-TRIPHOSPHATE


Mass: 483.156 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C9H16N3O14P3
#3: Chemical
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Ca
#4: Chemical
ChemComp-ACT / ACETATE ION


Mass: 59.044 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C2H3O2
#5: Chemical
ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID


Mass: 195.237 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C6H13NO4S / Comment: pH buffer*YM
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 617 / 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: 2.21 Å3/Da / Density % sol: 44.35 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop / pH: 6
Details: 20% w/v PEG 8000 0.1M MES pH 6.0 0.2 M calcium acetate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.9795 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Jan 30, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9795 Å / Relative weight: 1
ReflectionResolution: 1.84→68.3 Å / Num. obs: 75835 / % possible obs: 99.3 % / Redundancy: 7.3 % / Biso Wilson estimate: 28.41 Å2 / CC1/2: 1 / Rmerge(I) obs: 0.042 / Rpim(I) all: 0.016 / Rrim(I) all: 0.045 / Net I/σ(I): 26 / Num. measured all: 552418
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. measured allNum. unique obsCC1/2Rpim(I) allRrim(I) allNet I/σ(I) obs% possible all
1.84-1.944.30.41444751103960.8780.2080.4662.695.2
5.83-68.37.20.02119091264510.0080.02375.599.9

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Phasing

PhasingMethod: molecular replacement
Phasing MR
Highest resolutionLowest resolution
Rotation5.03 Å68.3 Å
Translation5.03 Å68.3 Å

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Processing

Software
NameVersionClassification
PHENIX1.16refinement
Aimless0.6.2data scaling
PHASER2.8.1phasing
PDB_EXTRACT3.25data extraction
XDSdata reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4QJI

4qji


Resolution: 1.844→50.948 Å / SU ML: 0.2 / Cross valid method: THROUGHOUT / σ(F): 1.36 / Phase error: 20.77 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2017 3852 5.09 %
Rwork0.176 71900 -
obs0.1773 75752 99.18 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 134.85 Å2 / Biso mean: 37.5354 Å2 / Biso min: 15.46 Å2
Refinement stepCycle: final / Resolution: 1.844→50.948 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6282 0 188 618 7088
Biso mean--42.99 40.73 -
Num. residues----880
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A3621X-RAY DIFFRACTION10.417TORSIONAL
12B3621X-RAY DIFFRACTION10.417TORSIONAL
13C3621X-RAY DIFFRACTION10.417TORSIONAL
14D3621X-RAY DIFFRACTION10.417TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
1.8444-1.86690.2991040.2535226788
1.8669-1.89050.281490.2299235694
1.8905-1.91540.23941760.2218243897
1.9154-1.94170.2307960.2085257199
1.9417-1.96940.25141370.20822569100
1.9694-1.99880.24371150.18572549100
1.9988-2.030.25471290.1882571100
2.03-2.06330.22611230.18242582100
2.0633-2.09890.23131450.18482538100
2.0989-2.13710.24211180.18362616100
2.1371-2.17820.23211390.18612540100
2.1782-2.22260.2421570.17892545100
2.2226-2.27090.22191290.18172593100
2.2709-2.32380.22691420.17582579100
2.3238-2.38190.25011200.18482555100
2.3819-2.44630.23471530.19272560100
2.4463-2.51830.25061440.19542582100
2.5183-2.59950.24371590.18812545100
2.5995-2.69250.22931430.19192578100
2.6925-2.80020.2431300.19322618100
2.8002-2.92770.22671440.18482596100
2.9277-3.0820.18351150.19112614100
3.082-3.27510.19871650.17962584100
3.2751-3.52790.22111340.16872611100
3.5279-3.88280.18541430.1462640100
3.8828-4.44440.14591290.13972639100
4.4444-5.59830.13541430.15382687100
5.5983-50.9480.17131710.18572777100
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)
10.4950.27920.35982.3729-1.37881.8038-0.121-0.05680.10470.10440.24470.1887-0.0516-0.1213-0.11140.1662-0.0316-0.01480.28780.02740.22146.8268-18.5316-5.9437
21.981-1.9932.36762.634-2.91863.2941-0.4248-0.4523-0.04810.53890.57740.7389-0.2302-0.3507-0.19010.21550.0390.02370.37940.07090.3112-1.1473-9.4645-0.5503
32.3701-0.65820.15283.76190.25930.8492-0.04220.087-0.0425-0.12760.07590.2731-0.0076-0.127-0.03480.2018-0.0272-0.02860.28550.02270.20465.9163-14.4292-9.7428
44.63792.3149-0.04586.56911.40654.2752-0.424-0.1518-1.3318-0.45510.1528-0.54361.3802-0.03110.35510.5503-0.02660.09660.2984-0.05160.52719.2545-37.6319-12.0637
50.9834-1.37830.70881.9236-0.96650.52280.10630.29880.2939-0.0747-0.4525-1.2249-0.02870.23510.33380.2243-0.01570.02340.33780.02940.346820.2243-12.1061-10.7551
63.049-0.92482.80391.2424-1.56014.4409-0.02280.22110.2305-0.2471-0.0569-0.12060.17530.11570.00840.22010.00240.00240.22130.01830.185217.0657-6.6162-2.4562
73.90450.16833.18223.6747-3.99519.813-0.05870.2280.0762-0.11590.0851-0.2586-0.0740.35730.00180.2020.0047-0.00720.2175-0.00030.192923.2444-7.30934.9936
81.3820.5938-0.40351.2287-0.02020.4074-0.0277-0.4031-0.11550.27790.06290.11680.2151-0.2635-0.18440.2161-0.0192-0.00570.29050.04960.210813.8158-6.47366.7251
95.7051.57820.3931.74980.64820.82940.1574-0.5159-0.07820.516-0.03510.438-0.1079-0.4603-0.14930.3407-0.01940.04430.4780.00140.37811.6631-1.81169.1232
107.53853.6559-2.04832.1631-2.3286.07840.1194-0.54010.25530.3442-0.10940.0794-0.3773-0.0539-0.05240.30460.0754-0.01810.3335-0.06860.35665.0216-0.27222.5367
110.11810.28860.08491.7716-0.93931.853-0.10120.14860.0055-0.0670.25850.20050.0414-0.1192-0.12540.16270.0405-0.00970.19340.03440.23912.6604-39.0483.4548
122.88130.6740.52671.3106-0.08991.6618-0.048-0.389-0.04660.11620.0217-0.0556-0.1193-0.11420.00170.22570.0436-0.01810.25750.03840.2482-1.9946-42.47357.5276
131.0491-0.63440.7120.5092-0.75072.327-0.11130.13710.00560.01290.0944-1.1287-0.18210.2790.01950.2315-0.04160.00570.37420.01850.430721.9485-30.61883.3576
146.81733.1866-0.63144.2068-0.49233.8008-0.45570.4084-0.5788-0.2460.2848-1.1217-0.35930.45840.20640.33530.02460.02660.50320.04980.44122.8241-36.4596-1.5699
151.73910.28430.45674.3943-3.81997.080.0547-0.153-0.4451-0.4181-0.1009-0.37450.6470.2286-0.0310.29110.0514-0.01640.22410.04680.37783.1251-56.60587.0072
162.97920.68510.99094.533-1.04945.1422-0.06080.8571-0.4233-0.7351-0.1619-0.57631.02951.47730.1650.53460.20740.05970.6703-0.07140.41795.809-53.8765-13.4506
170.3278-0.2870.64051.2923-1.24551.5649-0.1944-0.2417-0.04810.23820.3012-0.254-0.1044-0.2277-0.13220.31240.05590.04480.26180.03780.3252-4.6186-43.8069-9.9614
183.3147-2.14610.67875.0192-1.61894.90910.29150.3012-0.5327-0.65190.10750.16650.64880.2135-0.22920.4731-0.0048-0.10810.2906-0.04930.4317-6.3037-51.3576-12.5898
195.4544-0.99910.01211.8837-2.27356.5850.0752-0.0161-0.8586-0.4376-0.08380.24370.4321-0.0791-0.01440.2745-0.0274-0.0380.23630.00220.3588-11.4939-52.7008-1.4007
203.9724-1.6023-0.13294.2252-0.35142.65920.12440.55460.82520.0470.10030.4876-0.4062-0.7205-0.13590.32540.09370.08390.34910.10410.4549-17.1075-15.0076-30.1811
212.04790.3993-0.29661.9776-0.58323.0242-0.04920.012-0.1628-0.04660.0456-0.1833-0.23210.20820.05560.2616-0.04870.04130.21580.00710.25089.618-25.3028-32.5666
224.05030.5127-1.61410.1658-0.01031.29920.0680.19970.5133-0.4103-0.00140.1787-0.681-0.2515-0.12710.46170.0498-0.00190.1990.04650.2681-10.6219-13.7799-33.768
233.38170.0834-0.11771.56670.2271.86230.1642-0.0170.221-0.1013-0.0391-0.1086-0.37890.1215-0.08750.2758-0.02440.04140.1573-0.00180.1741-3.3342-21.584-27.4205
245.37130.92411.08916.52991.89977.919-0.0167-0.3932-0.65080.2512-0.285-1.64620.19881.35620.43090.36110.0302-0.05610.48770.13760.527217.0889-34.8892-25.7668
257.91111.5957-2.05270.3533-0.31651.847-0.35380.1878-0.6368-0.15660.0795-0.20590.14970.060.25150.2508-0.02470.02610.166-0.00110.2505-7.1417-34.4763-26.3911
262.25980.0355-1.45392.73531.59557.5991-0.08150.2919-0.1608-0.24150.1379-0.0690.01840.05320.02090.1265-0.03340.00190.1867-0.0240.175-12.7997-31.392-34.5725
275.3383-1.3922-1.09396.13241.42636.11340.05930.49920.1031-0.44510.0521-0.1823-0.34080.0841-0.05790.2209-0.06340.00920.25670.00690.1421-13.4792-33.3856-41.8914
281.98983.3830.97095.87981.69690.5633-0.28740.28860.3246-0.72330.40310.2666-0.24690.1253-0.06760.4025-0.0582-0.04820.3860.03910.2765-18.1532-26.7043-46.0373
292.18613.5306-2.62548.5068-1.04956.9286-0.06240.3368-0.1462-0.46170.43780.96840.0971-0.7337-0.30760.35240.0628-0.09330.4060.14830.4274-19.3253-19.6078-38.9214
301.6360.5367-0.78071.5520.56152.23010.1739-0.0260.14530.0253-0.05760.1429-0.0921-0.0586-0.07050.18180.0310.03520.1750.00250.20719.7754-17.0545-41.8447
311.9610.7919-0.50532.69220.17811.5275-0.07140.0111-0.2436-0.1310.0196-0.09190.133-0.07410.0650.20780.0250.03250.2137-0.01160.208720.5857-19.6322-43.7751
323.3340.4048-2.05863.09670.40384.03040.0009-0.1171-0.2698-0.15090.1041-0.51890.20140.5234-0.02460.18440.05170.02530.2854-0.02650.327437.0412-17.6303-45.8391
332.25591.3577-0.45541.2208-0.71660.5781-0.1245-1.0487-0.87061.122-0.0209-0.79491.28451.0987-0.01330.86190.2946-0.13390.82260.0970.536736.1484-19.7985-25.473
340.8626-0.04661.68286.7326-0.0127.09840.0269-0.98920.34450.7980.5342-0.1505-0.1640.596-0.51010.33860.0437-0.03160.4808-0.04680.37530.9427-9.9648-27.1956
352.5229-1.2696-2.24664.1484-0.23935.73-0.0426-0.66490.016-0.04640.1399-0.7713-0.30430.6659-0.01330.2388-0.0699-0.02410.301-0.06440.362233.6139-3.0758-37.3412
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 184 through 215 )A184 - 215
2X-RAY DIFFRACTION2chain 'A' and (resid 216 through 227 )A216 - 227
3X-RAY DIFFRACTION3chain 'A' and (resid 228 through 284 )A228 - 284
4X-RAY DIFFRACTION4chain 'A' and (resid 285 through 303 )A285 - 303
5X-RAY DIFFRACTION5chain 'A' and (resid 304 through 319 )A304 - 319
6X-RAY DIFFRACTION6chain 'A' and (resid 320 through 342 )A320 - 342
7X-RAY DIFFRACTION7chain 'A' and (resid 343 through 354 )A343 - 354
8X-RAY DIFFRACTION8chain 'A' and (resid 355 through 381 )A355 - 381
9X-RAY DIFFRACTION9chain 'A' and (resid 382 through 393 )A382 - 393
10X-RAY DIFFRACTION10chain 'A' and (resid 394 through 412 )A394 - 412
11X-RAY DIFFRACTION11chain 'B' and (resid 184 through 215 )B184 - 215
12X-RAY DIFFRACTION12chain 'B' and (resid 216 through 281 )B216 - 281
13X-RAY DIFFRACTION13chain 'B' and (resid 282 through 294 )B282 - 294
14X-RAY DIFFRACTION14chain 'B' and (resid 295 through 309 )B295 - 309
15X-RAY DIFFRACTION15chain 'B' and (resid 310 through 333 )B310 - 333
16X-RAY DIFFRACTION16chain 'B' and (resid 334 through 354 )B334 - 354
17X-RAY DIFFRACTION17chain 'B' and (resid 355 through 371 )B355 - 371
18X-RAY DIFFRACTION18chain 'B' and (resid 372 through 393 )B372 - 393
19X-RAY DIFFRACTION19chain 'B' and (resid 394 through 412 )B394 - 412
20X-RAY DIFFRACTION20chain 'C' and (resid 184 through 196 )C184 - 196
21X-RAY DIFFRACTION21chain 'C' and (resid 197 through 215 )C197 - 215
22X-RAY DIFFRACTION22chain 'C' and (resid 216 through 236 )C216 - 236
23X-RAY DIFFRACTION23chain 'C' and (resid 237 through 284 )C237 - 284
24X-RAY DIFFRACTION24chain 'C' and (resid 285 through 303 )C285 - 303
25X-RAY DIFFRACTION25chain 'C' and (resid 304 through 319 )C304 - 319
26X-RAY DIFFRACTION26chain 'C' and (resid 320 through 342 )C320 - 342
27X-RAY DIFFRACTION27chain 'C' and (resid 343 through 381 )C343 - 381
28X-RAY DIFFRACTION28chain 'C' and (resid 382 through 393 )C382 - 393
29X-RAY DIFFRACTION29chain 'C' and (resid 394 through 412 )C394 - 412
30X-RAY DIFFRACTION30chain 'D' and (resid 184 through 215 )D184 - 215
31X-RAY DIFFRACTION31chain 'D' and (resid 216 through 309 )D216 - 309
32X-RAY DIFFRACTION32chain 'D' and (resid 310 through 333 )D310 - 333
33X-RAY DIFFRACTION33chain 'D' and (resid 334 through 354 )D334 - 354
34X-RAY DIFFRACTION34chain 'D' and (resid 355 through 393 )D355 - 393
35X-RAY DIFFRACTION35chain 'D' and (resid 394 through 412 )D394 - 412

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