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- PDB-4f21: Crystal structure of carboxylesterase/phospholipase family protei... -

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Basic information

Entry
Database: PDB / ID: 4f21
TitleCrystal structure of carboxylesterase/phospholipase family protein from Francisella tularensis
ComponentsCarboxylesterase/phospholipase family protein
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Structural Genomics / NIAID / National Institute of Allergy and Infectious Diseases / Center for Structural Genomics of Infectious Diseases / CSGID / carboxylesterase / phospholipase / HYDROLASE-HYDROLASE INHIBITOR complex
Function / homology
Function and homology information


Hydrolases; Acting on ester bonds; Carboxylic-ester hydrolases / hydrolase activity
Similarity search - Function
Phospholipase/carboxylesterase/thioesterase / Phospholipase/Carboxylesterase / Alpha/Beta hydrolase fold, catalytic domain / Alpha/Beta hydrolase fold / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
Chem-0S1 / Carboxylesterase/phospholipase family protein
Similarity search - Component
Biological speciesFrancisella tularensis subsp. tularensis (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.5 Å
AuthorsFilippova, E.V. / Minasov, G. / Kuhn, M. / Wawrzak, Z. / Shuvalova, L. / Dubrovska, I. / Winsor, J.R. / Kiryukhina, O. / Becker, D.P. / Armoush, N. ...Filippova, E.V. / Minasov, G. / Kuhn, M. / Wawrzak, Z. / Shuvalova, L. / Dubrovska, I. / Winsor, J.R. / Kiryukhina, O. / Becker, D.P. / Armoush, N. / Anderson, W.F. / Center for Structural Genomics of Infectious Diseases (CSGID)
CitationJournal: J.Biol.Chem. / Year: 2013
Title: Large scale structural rearrangement of a serine hydrolase from Francisella tularensis facilitates catalysis.
Authors: Filippova, E.V. / Weston, L.A. / Kuhn, M.L. / Geissler, B. / Gehring, A.M. / Armoush, N. / Adkins, C.T. / Minasov, G. / Dubrovska, I. / Shuvalova, L. / Winsor, J.R. / Lavis, L.D. / Satchell, ...Authors: Filippova, E.V. / Weston, L.A. / Kuhn, M.L. / Geissler, B. / Gehring, A.M. / Armoush, N. / Adkins, C.T. / Minasov, G. / Dubrovska, I. / Shuvalova, L. / Winsor, J.R. / Lavis, L.D. / Satchell, K.J. / Becker, D.P. / Anderson, W.F. / Johnson, R.J.
History
DepositionMay 7, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 29, 2012Provider: repository / Type: Initial release
Revision 1.1Oct 9, 2013Group: Database references
Revision 1.2Nov 15, 2017Group: Advisory / Refinement description / Category: pdbx_unobs_or_zero_occ_atoms / software / Item: _software.name
Revision 1.3Jan 24, 2018Group: Structure summary / Category: audit_author / Item: _audit_author.name
Revision 1.4Sep 13, 2023Group: Advisory / Data collection ...Advisory / Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_unobs_or_zero_occ_atoms / struct_conn / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Carboxylesterase/phospholipase family protein
B: Carboxylesterase/phospholipase family protein
C: Carboxylesterase/phospholipase family protein
D: Carboxylesterase/phospholipase family protein
E: Carboxylesterase/phospholipase family protein
F: Carboxylesterase/phospholipase family protein
G: Carboxylesterase/phospholipase family protein
H: Carboxylesterase/phospholipase family protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)219,7969
Polymers219,5158
Non-polymers2811
Water8,251458
1
A: Carboxylesterase/phospholipase family protein


Theoretical massNumber of molelcules
Total (without water)27,4391
Polymers27,4391
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
B: Carboxylesterase/phospholipase family protein


Theoretical massNumber of molelcules
Total (without water)27,4391
Polymers27,4391
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
3
C: Carboxylesterase/phospholipase family protein


Theoretical massNumber of molelcules
Total (without water)27,4391
Polymers27,4391
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
4
D: Carboxylesterase/phospholipase family protein


Theoretical massNumber of molelcules
Total (without water)27,4391
Polymers27,4391
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
5
E: Carboxylesterase/phospholipase family protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)27,7212
Polymers27,4391
Non-polymers2811
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
6
F: Carboxylesterase/phospholipase family protein


Theoretical massNumber of molelcules
Total (without water)27,4391
Polymers27,4391
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
7
G: Carboxylesterase/phospholipase family protein


Theoretical massNumber of molelcules
Total (without water)27,4391
Polymers27,4391
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
8
H: Carboxylesterase/phospholipase family protein


Theoretical massNumber of molelcules
Total (without water)27,4391
Polymers27,4391
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)50.997, 64.416, 139.039
Angle α, β, γ (deg.)94.89, 90.12, 89.96
Int Tables number1
Space group name H-MP1

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Components

#1: Protein
Carboxylesterase/phospholipase family protein


Mass: 27439.318 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Francisella tularensis subsp. tularensis (bacteria)
Strain: SCHU S4 / Schu 4 / Gene: FTT_0258 / Plasmid: pMCSG7 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)-Magic
References: UniProt: Q5NI32, Hydrolases; Acting on ester bonds; Carboxylic-ester hydrolases
#2: Chemical ChemComp-0S1 / N-((1R,2S)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form


Mass: 281.371 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C14H19NO3S
#3: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 458 / Source method: isolated from a natural source / Formula: H2O

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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: 2.07 Å3/Da / Density % sol: 40.67 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5.5
Details: 0.1 M ammonium acetate, 0.1 M Bis-Tris, 17% PEG10000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å
DetectorType: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Nov 21, 2011 / Details: Beryllium lenses
RadiationMonochromator: Diamond(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97872 Å / Relative weight: 1
ReflectionResolution: 2.5→30 Å / Num. all: 58087 / Num. obs: 58087 / % possible obs: 94.4 % / Observed criterion σ(I): -3 / Redundancy: 1.9 % / Biso Wilson estimate: 47.2 Å2 / Rmerge(I) obs: 0.078 / Net I/σ(I): 8.4
Reflection shellResolution: 2.5→2.54 Å / Redundancy: 1.8 % / Rmerge(I) obs: 0.36 / Mean I/σ(I) obs: 2.2 / Num. unique all: 2970 / % possible all: 97.5

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Processing

Software
NameVersionClassification
Blu-IceMaxdata collection
MOLREPphasing
PHENIX(phenix.refine: 1.7.3_928)refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1FJ2

1fj2


Resolution: 2.5→29.458 Å / Isotropic thermal model: ISOTROPIC / σ(F): 1.97 / Phase error: 29.74 / Stereochemistry target values: TWIN_LSQ_F
RfactorNum. reflection% reflection
Rfree0.2585 2972 5.17 %
Rwork0.1991 --
obs0.204 57489 94.3 %
all-57489 -
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 38.632 Å2 / ksol: 0.306 e/Å3
Displacement parameters
Baniso -1Baniso -2Baniso -3
1-2.4018 Å20.7993 Å2-0.9668 Å2
2---17.2951 Å2-1.6765 Å2
3---14.8932 Å2
Refinement stepCycle: LAST / Resolution: 2.5→29.458 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13259 0 5 458 13722
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00313560
X-RAY DIFFRACTIONf_angle_d0.80218322
X-RAY DIFFRACTIONf_dihedral_angle_d14.7944879
X-RAY DIFFRACTIONf_chiral_restr0.0522080
X-RAY DIFFRACTIONf_plane_restr0.0032322
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.5-2.54360.32731400.28262832X-RAY DIFFRACTION93
2.5436-2.58980.34471330.28152814X-RAY DIFFRACTION93
2.5898-2.63950.35251600.28182812X-RAY DIFFRACTION92
2.6395-2.69330.33581400.25952890X-RAY DIFFRACTION93
2.6933-2.75180.29221640.262757X-RAY DIFFRACTION92
2.7518-2.81580.36441500.27612902X-RAY DIFFRACTION93
2.8158-2.88610.30231570.25462761X-RAY DIFFRACTION93
2.8861-2.9640.31521590.232864X-RAY DIFFRACTION93
2.964-3.05110.25691620.22792817X-RAY DIFFRACTION93
3.0511-3.14940.30111500.21392848X-RAY DIFFRACTION93
3.1494-3.26180.29331280.21022852X-RAY DIFFRACTION94
3.2618-3.39210.26841670.19422881X-RAY DIFFRACTION93
3.3921-3.54610.28181570.17872781X-RAY DIFFRACTION92
3.5461-3.73250.2938620.14891143X-RAY DIFFRACTION38
3.7325-3.96550.22321340.15692273X-RAY DIFFRACTION75
3.9655-4.27040.20781500.16052862X-RAY DIFFRACTION93
4.2704-4.69770.19231620.14592789X-RAY DIFFRACTION93
4.6977-5.3720.22331480.18162904X-RAY DIFFRACTION94
5.372-6.74740.25391380.21042861X-RAY DIFFRACTION95
6.7474-25.51950.24181440.18652889X-RAY DIFFRACTION94
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)
10.659-0.32661.01561.03550.47732.664-0.06210.13530.18960.1074-0.0196-0.0475-0.15530.05870.0850.1611-0.0245-0.05190.2368-0.02260.1036-10.797.2822-0.4596
21.271-0.3444-1.30650.31890.47581.40880.2148-0.10810.2706-0.01950.1062-0.1222-0.28260.2618-0.15190.1267-0.00970.05770.3313-0.0250.09089.89532.2896-6.642
36.6833-3.2569-5.5932.92073.01296.23350.1585-0.00230.1427-0.24230.1531-0.1693-0.32890.5151-0.16590.20550.0049-0.10780.2458-0.15630.21942.97069.84848.5108
40.3276-0.0407-0.53620.33650.10520.892-0.0271-0.22310.00790.14480.1-0.0807-0.0080.324-0.06370.06720.09630.0160.3388-0.06150.03332.8238-2.63433.3698
50.1430.265-0.06670.71110.38321.2415-0.0131-0.0657-0.13250.11860.0569-0.1870.17440.1659-0.10290.0169-0.012-0.0410.1965-0.03910.0655-4.0791-9.041-2.6911
62.0231-0.75720.19881.96270.51752.30980.095-0.01460.2128-0.1512-0.0391-0.2331-0.19820.12740.06870.0907-0.0526-0.02510.1530.03470.017910.3211-30.150268.492
70.6910.93280.82362.38531.69333.1511-0.0266-0.42180.19150.3542-0.1274-0.0571-0.1669-0.1769-0.05250.2203-0.089-0.12130.3713-0.09160.179135.5766-41.012459.1749
80.1980.04230.21570.27510.21030.4994-0.0309-0.0690.07830.11310.0229-0.0991-0.06950.18940.0250.01970.0152-0.16110.2177-0.1161-0.035821.2079-37.781873.7774
90.0703-0.0090.22620.38370.09251.5688-0.06550.0033-0.01860.04940.0771-0.00640.12820.0647-0.00940.01840.0473-0.0140.2589-0.02290.037614.6276-47.284966.7567
100.60570.00980.62690.52850.09541.6844-0.01870.1165-0.01880.0264-0.0346-0.0192-0.0150.0399-0.07260.0099-0.151-0.01430.1357-0.0098-0.02614.9217-15.2657-31.3589
111.83530.1866-0.63650.9759-0.78062.00390.027-0.2419-0.04880.0985-0.1118-0.1503-0.1080.36780.11690.076-0.04060.0030.17630.0420.031725.4948-17.2321-30.0908
120.3830.47860.2721.38441.44762.74570.07360.2569-0.1448-0.15620.01590.11420.091-0.0929-0.08280.07960.0233-0.10640.2283-0.02320.129542.9551-4.615-21.641
131.0027-0.23330.04310.51230.09430.19710.00850.23940.04-0.0690.0421-0.06490.02480.1343-0.0234-0.0250.0061-0.00380.2259-0.01180.022328.1196-10.8229-37.8437
141.6927-0.0873-0.89540.10680.19880.70160.00420.06650.09820.0187-0.0165-0.0643-0.01360.38050.06890.3357-0.0290.1050.32680.04320.138131.3435-2.7401-44.786
150.59720.36350.63140.37460.38570.6759-0.13670.04240.2413-0.10370.03910.0695-0.1042-0.0215-0.1106-0.0384-0.0769-0.00260.23470.02240.050722.68161.0039-28.0727
160.3548-0.05310.10480.6023-0.33720.84770.0019-0.0025-0.00430.0911-0.0937-0.1038-0.02930.07470.02210.0188-0.1213-0.00010.23060.0782-0.001738.5881-53.187839.4035
172.52421.71542.47631.66411.51394.42870.05620.4396-0.2672-0.07050.1633-0.20450.120.2848-0.42110.1093-0.0232-0.08460.22140.00730.140161.8368-40.785146.748
180.5298-0.08240.06320.2755-0.21840.9450.01480.1978-0.0712-0.095-0.00670.01470.11590.05-0.0342-0.00980.02510.01390.1474-0.0489-0.058844.7846-50.372130.3904
194.13571.108-2.61260.55090.19824.8235-0.4317-0.0321-0.5497-0.20560.1047-0.64140.58780.71330.42650.12080.0420.07730.16570.02780.270155.5365-41.812237.3072
200.2229-0.19460.18630.41470.11960.4933-0.01960.09420.0267-0.135-0.0213-0.0245-0.10460.0573-0.24430.0523-0.0761-0.00370.1524-0.0028-0.03248.7559-37.383736.9247
211.72260.23710.18981.46480.38180.4372-0.16840.01550.1511-0.1164-0.07810.0684-0.1083-0.08710.01930.0189-0.0091-0.04760.19950.02220.091936.0667-38.275440.7293
220.5457-0.05440.0521.0419-0.43231.44410.06350.0754-0.0006-0.1042-0.041-0.15910.11130.36540.0894-0.006-0.00830.02190.1834-0.01910.009217.40530.384-31.52
233.12860.4181-0.92870.4627-0.3931.75040.0583-0.25270.30090.08770.05350.1487-0.1657-0.1917-0.05320.0435-0.0191-0.02970.0542-0.04610.01023.21234.1871-25.8934
240.1775-0.05590.17640.2146-0.18780.4704-0.02440.13410.0629-0.07950.03870.0667-0.0177-0.10530.0780.1450.0652-0.14690.26650.00410.10177.173928.6035-38.1227
251.1804-0.13760.38710.2937-0.29121.07220.0020.0433-0.0463-0.10020.05220.1360.0215-0.23740.02740.09350.0016-0.16730.0941-0.03520.2022.77718.6435-33.8844
260.0541-0.08840.18910.434-0.08960.83250.1874-0.0588-1.0443-0.00210.0231-0.05050.3665-0.2848-0.23580.1794-0.0336-0.07620.3265-0.0060.67730.349811.1221-29.3109
270.4012-0.1052-0.25141.0976-0.67281.70050.0734-0.0304-0.2734-0.1989-0.1192-0.13580.23070.0454-0.05170.0647-0.0359-0.01990.1152-0.06320.224814.226914.786-28.9783
281.09880.4439-0.3551.7552-1.17343.26720.02910.0288-0.1013-0.2352-0.0602-0.13270.31650.24550.08070.0844-0.03390.00690.13370.03460.013735.7483-7.543937.7569
290.72180.09830.22350.4268-0.050.49910.06310.13730.046-0.08040.0380.1669-0.103-0.1717-0.00020.04690.1131-0.07970.16440.0050.139823.7854-8.833235.8722
300.7414-0.2279-0.23210.6826-0.37272.8718-0.0062-0.0189-0.0305-0.20450.05140.4049-0.0775-0.4519-0.22770.10170.0401-0.11690.1689-0.03240.28620.2755-21.107836.5973
310.72210.1659-0.43260.11520.00350.4206-0.13260.1085-0.0191-0.3-0.03360.7490.4993-0.33080.17950.3518-0.053-0.1050.14560.00950.555718.8156-27.043239.9424
320.52810.3510.18582.3190.18190.7174-0.0490.0918-0.3033-0.30720.1282-0.35620.07150.0748-0.02060.1064-0.00730.01780.1018-0.02890.44732.7497-23.353140.3186
332.3681.4262-0.46781.64170.55270.98160.1059-0.1595-0.93960.33-0.0788-0.13250.16870.1505-0.04230.35010.0044-0.16370.19890.06780.543-7.86-43.74.61
341.6995-1.99570.00724.9341-1.07613.21420.05850.0778-0.03050.0918-0.2596-0.198-0.16970.17360.19280.30090.0219-0.02870.09250.03490.3718-6.1331-34.667-2.1911
350.736-0.61320.59660.54-0.64521.25120.05-0.0087-0.0883-0.10050.11870.13430.3876-0.1814-0.0750.1461-0.0541-0.02950.30730.04580.0836-26.1911-44.3947-7.0535
366.64710.72681.23710.88110.111.1235-0.1539-0.437-0.49720.15350.1251-0.0860.0641-0.3661-0.02230.3612-0.03990.05050.16190.06360.12-18.1476-40.96689.3997
371.7139-0.04730.38152.815-0.83252.68870.0028-0.17220.12480.37960.08860.3412-0.1399-0.4776-0.07170.1090.0722-0.02010.1197-0.01620.114-21.3408-28.01932.3074
380.9906-0.96020.25391.6307-0.8320.8696-0.1225-0.11040.44150.2-0.1411-0.0533-0.14790.06350.15670.2127-0.0025-0.03750.0907-0.02820.2993-14.4396-21.9452-2.5032
395.17622.40864.4772.02692.06383.89680.2855-0.1778-0.13080.057-0.3344-0.0150.1037-0.0949-0.19620.3610.0602-0.21890.20.02650.34310.763-81.76873.952
400.4634-0.3252-0.10650.4668-0.0540.3394-0.0429-0.0208-0.1354-0.0195-0.07840.0448-0.0190.0288-0.01450.24580.0576-0.20960.1995-0.04950.5612.0906-72.990766.964
411.0807-0.73770.85750.6798-0.67360.72470.0149-0.21720.01270.0894-0.12550.02790.088-0.15710.08710.1536-0.141-0.00080.46860.03890.1495-7.1114-81.670762.9285
421.3693-0.38570.94031.0876-0.87621.91960.0338-0.2317-0.14360.15770.0073-0.01880.1670.0257-0.05710.13820.0733-0.05370.1190.07080.14630.2002-75.088775.5635
436.8712-2.35920.22481.4310.18744.0783-0.1186-1.301-0.58081.05370.02330.02960.35850.10560.11370.5055-0.0973-0.00870.28360.02390.19920.2614-68.43377.909
440.62340.62741.30660.7532.06437.34820.1212-0.54490.44070.4804-0.28040.5825-0.0357-1.73370.21980.44330.12110.13010.5568-0.03180.3207-9.0932-64.991275.2943
453.8154-0.07723.19742.50951.69794.7203-0.2059-0.0890.54010.0855-0.00040.032-0.2172-0.08720.24050.08070.02-0.06740.09140.00330.3188-3.7544-59.185563.6898
460.82590.75090.78441.3458-0.86664.5065-0.0479-0.1320.17890.1512-0.0999-0.0519-0.4394-0.40480.1340.20450.0438-0.17180.112-0.04220.22191.4997-59.121863.9253
475.94982.0791.55514.5167-0.46961.53860.1044-0.43860.29120.2635-0.19820.1044-0.1176-0.3160.09280.1504-0.0459-0.11130.16390.0380.415813.3028-62.789769.3167
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resseq -1:42)
2X-RAY DIFFRACTION2chain 'A' and (resseq 43:82)
3X-RAY DIFFRACTION3chain 'A' and (resseq 83:103)
4X-RAY DIFFRACTION4chain 'A' and (resseq 105:174)
5X-RAY DIFFRACTION5chain 'A' and (resseq 175:222)
6X-RAY DIFFRACTION6chain 'B' and (resseq -1:57)
7X-RAY DIFFRACTION7chain 'B' and (resseq 58:82)
8X-RAY DIFFRACTION8chain 'B' and (resseq 83:174)
9X-RAY DIFFRACTION9chain 'B' and (resseq 175:222)
10X-RAY DIFFRACTION10chain 'C' and (resseq -1:42)
11X-RAY DIFFRACTION11chain 'C' and (resseq 43:58)
12X-RAY DIFFRACTION12chain 'C' and (resseq 59:82)
13X-RAY DIFFRACTION13chain 'C' and (resseq 83:149)
14X-RAY DIFFRACTION14chain 'C' and (resseq 150:160)
15X-RAY DIFFRACTION15chain 'C' and (resseq 161:222)
16X-RAY DIFFRACTION16chain 'D' and (resseq -1:64)
17X-RAY DIFFRACTION17chain 'D' and (resseq 65:82)
18X-RAY DIFFRACTION18chain 'D' and (resseq 83:139)
19X-RAY DIFFRACTION19chain 'D' and (resseq 140:148)
20X-RAY DIFFRACTION20chain 'D' and (resseq 149:188)
21X-RAY DIFFRACTION21chain 'D' and (resseq 189:222)
22X-RAY DIFFRACTION22chain 'E' and (resseq -2:39)
23X-RAY DIFFRACTION23chain 'E' and (resseq 40:84)
24X-RAY DIFFRACTION24chain 'E' and (resseq 85:127)
25X-RAY DIFFRACTION25chain 'E' and (resseq 128:174)
26X-RAY DIFFRACTION26chain 'E' and (resseq 175:186)
27X-RAY DIFFRACTION27chain 'E' and (resseq 187:222)
28X-RAY DIFFRACTION28chain 'F' and (resseq -2:39)
29X-RAY DIFFRACTION29chain 'F' and (resseq 40:145)
30X-RAY DIFFRACTION30chain 'F' and (resseq 146:174)
31X-RAY DIFFRACTION31chain 'F' and (resseq 175:186)
32X-RAY DIFFRACTION32chain 'F' and (resseq 187:222)
33X-RAY DIFFRACTION33chain 'G' and (resseq -2:13)
34X-RAY DIFFRACTION34chain 'G' and (resseq 14:42)
35X-RAY DIFFRACTION35chain 'G' and (resseq 43:84)
36X-RAY DIFFRACTION36chain 'G' and (resseq 85:106)
37X-RAY DIFFRACTION37chain 'G' and (resseq 107:175)
38X-RAY DIFFRACTION38chain 'G' and (resseq 176:222)
39X-RAY DIFFRACTION39chain 'H' and (resseq -2:13)
40X-RAY DIFFRACTION40chain 'H' and (resseq 14:42)
41X-RAY DIFFRACTION41chain 'H' and (resseq 43:84)
42X-RAY DIFFRACTION42chain 'H' and (resseq 85:126)
43X-RAY DIFFRACTION43chain 'H' and (resseq 127:139)
44X-RAY DIFFRACTION44chain 'H' and (resseq 140:160)
45X-RAY DIFFRACTION45chain 'H' and (resseq 161:186)
46X-RAY DIFFRACTION46chain 'H' and (resseq 187:205)
47X-RAY DIFFRACTION47chain 'H' and (resseq 206:222)

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