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- PDB-2xbl: Crystal structure of GmhA from Burkholderia pseudomallei in compl... -

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Basic information

Entry
Database: PDB / ID: 2xbl
TitleCrystal structure of GmhA from Burkholderia pseudomallei in complex with product
ComponentsPHOSPHOHEPTOSE ISOMERASED-sedoheptulose 7-phosphate isomerase
KeywordsISOMERASE / CAPSULE
Function / homology
Function and homology information


D-sedoheptulose-7-phosphate isomerase / D-sedoheptulose 7-phosphate isomerase activity / D-glycero-D-manno-heptose 7-phosphate biosynthetic process / capsule polysaccharide biosynthetic process / carbohydrate derivative binding / zinc ion binding / cytoplasm
Similarity search - Function
Phosphoheptose isomerase / GmhA/DiaA / SIS domain / SIS domain / SIS domain profile. / SIS domain superfamily / Glucose-6-phosphate isomerase like protein; domain 1 / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
Chem-M7P / DI(HYDROXYETHYL)ETHER / TRIETHYLENE GLYCOL / Phosphoheptose isomerase
Similarity search - Component
Biological speciesBURKHOLDERIA PSEUDOMALLEI (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 1.62 Å
AuthorsHarmer, N.J.
CitationJournal: J.Mol.Biol. / Year: 2010
Title: The Structure of Sedoheptulose-7-Phosphate Isomerase from Burkholderia Pseudomallei Reveals a Zinc Binding Site at the Heart of the Active Site.
Authors: Harmer, N.J.
History
DepositionApr 13, 2010Deposition site: PDBE / Processing site: PDBE
Revision 1.0May 19, 2010Provider: repository / Type: Initial release
Revision 1.1May 8, 2011Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Oct 18, 2017Group: Data collection / Category: diffrn / diffrn_source
Revision 1.4Mar 7, 2018Group: Source and taxonomy / Category: entity_src_gen
Item: _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id / _entity_src_gen.pdbx_host_org_scientific_name ..._entity_src_gen.pdbx_host_org_ncbi_taxonomy_id / _entity_src_gen.pdbx_host_org_scientific_name / _entity_src_gen.pdbx_host_org_strain / _entity_src_gen.pdbx_host_org_variant
Revision 1.5Jul 29, 2020Group: Derived calculations / Other / Structure summary
Category: chem_comp / entity ...chem_comp / entity / pdbx_database_status / pdbx_entity_nonpoly / pdbx_struct_conn_angle / struct_conn / struct_site / struct_site_gen
Item: _chem_comp.mon_nstd_flag / _chem_comp.name ..._chem_comp.mon_nstd_flag / _chem_comp.name / _chem_comp.type / _entity.pdbx_description / _pdbx_database_status.status_code_sf / _pdbx_entity_nonpoly.name / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 1.6May 8, 2024Group: Data collection / Database references / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2
Item: _chem_comp.pdbx_synonyms / _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: PHOSPHOHEPTOSE ISOMERASE
B: PHOSPHOHEPTOSE ISOMERASE
C: PHOSPHOHEPTOSE ISOMERASE
D: PHOSPHOHEPTOSE ISOMERASE
hetero molecules


Theoretical massNumber of molelcules
Total (without water)85,56015
Polymers83,6874
Non-polymers1,87311
Water16,952941
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area17850 Å2
ΔGint-211.7 kcal/mol
Surface area23390 Å2
MethodPISA
Unit cell
Length a, b, c (Å)73.200, 83.680, 126.100
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

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Protein / Sugars , 2 types, 8 molecules ABCD

#1: Protein
PHOSPHOHEPTOSE ISOMERASE / D-sedoheptulose 7-phosphate isomerase / GMHA / SEDOHEPTULOSE 7-PHOSPHATE ISOMERASE


Mass: 20921.832 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) BURKHOLDERIA PSEUDOMALLEI (bacteria) / Strain: K96243 / Plasmid: PNIC28 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Rosetta
References: UniProt: Q93UJ2, Isomerases; Intramolecular oxidoreductases; Interconverting aldoses and ketoses, and related compounds
#3: Sugar
ChemComp-M7P / 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose / D-GLYCERO-D-MANNOPYRANOSE-7-PHOSPHATE / 7-O-phosphono-D-glycero-alpha-D-manno-heptose / 7-O-phosphono-D-glycero-D-manno-heptose / 7-O-phosphono-D-glycero-manno-heptose


Type: D-saccharide, alpha linking / Mass: 290.162 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C7H15O10P

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Non-polymers , 5 types, 948 molecules

#2: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn
#4: Chemical ChemComp-PG4 / TETRAETHYLENE GLYCOL / Polyethylene glycol


Mass: 194.226 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C8H18O5 / Comment: precipitant*YM
#5: Chemical ChemComp-PGE / TRIETHYLENE GLYCOL / Polyethylene glycol


Mass: 150.173 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C6H14O4
#6: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol


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


Mass: 18.015 Da / Num. of mol.: 941 / 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: 2.31 Å3/Da / Density % sol: 46.9 % / Description: NONE
Crystal growpH: 4.6 / Details: 0.05 M SODIUM ACETATE PH 4.6, 4% PEG 4000

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9763,1.283
DetectorType: ADSC CCD / Detector: CCD / Date: Sep 21, 2009 / Details: MIRRORS
RadiationMonochromator: SI CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
IDWavelength (Å)Relative weight
10.97631
21.2831
ReflectionResolution: 1.62→47.8 Å / Num. obs: 93361 / % possible obs: 94.4 % / Observed criterion σ(I): 0 / Redundancy: 6.5 % / Biso Wilson estimate: 14.41 Å2 / Rmerge(I) obs: 0.09 / Net I/σ(I): 13.1
Reflection shellResolution: 1.62→1.71 Å / Redundancy: 4.4 % / Rmerge(I) obs: 0.63 / Mean I/σ(I) obs: 2.2 / % possible all: 71.8

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Processing

Software
NameVersionClassification
PHENIX(PHENIX.REFINE)refinement
MOSFLMdata reduction
SCALAdata scaling
SHELXCDEphasing
RefinementMethod to determine structure: SAD
Starting model: NONE

Resolution: 1.62→47.772 Å / SU ML: 0.16 / σ(F): 0.01 / Phase error: 17.68 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.179 4487 5 %
Rwork0.1464 --
obs0.148 89502 90.44 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 42.644 Å2 / ksol: 0.322 e/Å3
Displacement parametersBiso mean: 19.71 Å2
Baniso -1Baniso -2Baniso -3
1-6.9327 Å2-0 Å2-0 Å2
2---0.204 Å2-0 Å2
3----6.7287 Å2
Refinement stepCycle: LAST / Resolution: 1.62→47.772 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5716 0 106 941 6763
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0065933
X-RAY DIFFRACTIONf_angle_d1.0158025
X-RAY DIFFRACTIONf_dihedral_angle_d19.2212227
X-RAY DIFFRACTIONf_chiral_restr0.075944
X-RAY DIFFRACTIONf_plane_restr0.0051039
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.62-1.67790.27662880.22795424X-RAY DIFFRACTION58
1.6779-1.74510.24423650.19756715X-RAY DIFFRACTION72
1.7451-1.82450.21174230.16738214X-RAY DIFFRACTION88
1.8245-1.92070.20184600.15168693X-RAY DIFFRACTION94
1.9207-2.04110.18884510.13849053X-RAY DIFFRACTION97
2.0411-2.19860.17264830.12519204X-RAY DIFFRACTION98
2.1986-2.41990.17194820.13049286X-RAY DIFFRACTION99
2.4199-2.770.1775120.13289318X-RAY DIFFRACTION99
2.77-3.48980.1674850.14329470X-RAY DIFFRACTION99
3.4898-47.79270.15055380.13749638X-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)
14.27880.5903-0.691.029-0.20790.1824-0.0467-0.0484-0.33340.357-0.03860.12740.6098-0.19710.11730.2517-0.00740.03380.11280.00340.1231-0.3955-2.565145.6393
21.13370.3887-0.87750.446-0.78322.2232-0.1201-0.1046-0.09810.01740.0568-0.0762-0.0730.15290.03890.09420.0187-0.00540.0809-0.01470.06413.03919.719945.393
30.86450.8145-0.9881.1087-1.00833.21160.1879-0.10890.07030.2681-0.0420.0146-0.61340.6972-0.07030.1008-0.048-0.00540.1467-0.00430.10924.91420.956827.9865
40.2937-0.30180.04860.56960.16910.25770.0305-0.020.07830.02460.00930.14620.03190.008-0.03390.09930.01880.01240.0924-0.01110.104714.88647.947322.8262
50.35950.16680.04660.3098-0.34720.57230.05450.0260.03470.0654-0.06310.024-0.0809-0.0121-0.00670.0720.00170.01230.0821-0.00360.086412.6113.524717.5748
60.3624-0.02550.11740.17640.22970.74720.03310.1367-0.0450.02990.0244-0.00440.12780.2444-0.05550.09580.0485-0.00180.1757-0.01170.107323.58545.314417.869
70.5449-0.47040.47950.7741-0.04250.9783-0.08750.01980.0459-0.14280.0577-0.15870.05230.3596-0.05730.09350.0706-00.209-0.02520.111328.53595.395720.228
80.0483-0.0498-0.14720.1744-0.08391.03480.0322-0.1405-0.0412-0.03-0.0463-0.09620.08030.52330.01580.110.0341-0.00290.20460.00550.127327.09157.074431.605
90.37970.0403-0.37820.84-0.27290.6036-0.0104-0.05150.00040.08820.07270.0747-0.03290.0686-0.04270.0935-0.0012-0.0060.0936-0.00360.080914.545211.997233.7884
101.97640.2929-0.32880.1066-0.2612.22730.35580.01140.6440.4442-0.04990.2794-0.96180.1213-0.35670.2852-0.02660.08550.08690.00440.174516.221732.098924.9445
110.3140.13130.34190.1790.09381.27580.076-0.1490.06730.0341-0.078-0.0955-0.03530.3218-0.02890.15480.00490.01740.1703-0.01560.1117.68512.9115-16.2635
120.7840.2769-0.81560.5266-0.54761.0105-0.0513-0.1022-0.04910.0099-0.10340.13650.405-0.28030.09810.2456-0.0279-0.00360.1986-0.01640.09333.2129-9.2049-15.3207
130.55490.6921-0.37650.9914-0.58651.2713-0.1620.1362-0.057-0.09190.13050.19070.5023-0.2606-0.04010.1604-0.0677-0.00320.1727-0.00130.1584-8.8329-13.1934-0.0479
140.43140.2976-0.24170.5055-0.16610.3248-0.04440.07690.0124-0.01770.0027-0.03390.0332-0.0550.0190.1002-0.00690.00560.1052-0.00340.10.4228-2.50476.5088
150.13440.1310.03150.35220.19690.97940.0311-0.0028-0.06690.0150.04610.07990.0757-0.137-0.04760.08550.00010.02350.10220.00840.1169-0.7431-0.077311.8908
160.1025-0.08180.05590.4459-0.11830.456-0.036-0.0678-0.03850.1280.0458-0.03830.1738-0.03870.00830.15820.00570.02160.09010.00090.12054.4171-11.353114.104
170.0628-0.03020.11040.23210.1210.76860.0063-0.0875-0.06640.06170.00150.07810.40090.0280.03080.24330.01120.02760.09860.00570.1275.2032-16.850311.3361
180.1259-0.0799-0.00920.1556-0.27560.8478-0.0232-0.0759-0.0832-0.0528-0.01320.03520.4340.08490.04520.2273-0.00220.02570.0893-0.00580.12994.8923-17.44990.7758
190.68960.41720.13710.63640.16690.0642-0.09590.0842-0.0312-0.08180.0408-0.02540.20910.13520.04990.17070.01130.01920.1183-0.00790.08929.1778-7.0382-6.3288
201.30850.158-0.65050.25560.01040.3933-0.00770.28060.1585-0.0716-0.02660.1101-0.0441-0.17140.12650.0928-0.0202-0.01380.157-0.02560.1224-9.9432-3.4124-1.7994
210.0308-0.2034-0.13741.79861.1890.7942-0.0019-0.0243-0.0534-0.0369-0.04140.32050.2243-0.69730.17330.1617-0.0513-0.03870.2848-0.02040.162-9.5131-6.5208-11.8204
220.88670.2879-0.12570.1031-0.04061.3083-0.10830.2116-0.0289-0.15770.136-0.01180.09890.0504-0.00060.1682-0.0102-0.00290.1956-0.02760.0993.09673.0224-17.6891
231.45011.0059-0.29753.30261.09290.7474-0.18930.2808-0.1005-0.63760.4349-0.2696-0.60460.331-0.21450.1785-0.05970.06280.1744-0.0060.103615.810414.1261-14.6067
240.0437-0.03310.10580.48350.13430.4499-0.01380.0928-0.0359-0.07660.0930.0345-0.03810.015-0.0690.0455-0.01090.01220.1041-0.010.084315.414513.85021.1371
250.2633-0.420.12431.5639-0.09860.0646-0.00740.1272-0.076-0.08440.08220.06790.0530.2036-0.10140.10150.01720.01550.1293-0.02360.081616.57313.13061.8411
260.4712-0.3785-0.30530.56140.04921.0267-0.02310.05050.0410.09410.0649-0.02720.1130.0586-0.07050.08240.00680.00670.1007-0.01420.112411.737111.992410.6652
270.5163-0.0736-0.06470.2415-0.24170.73330.0493-0.00050.10930.0291-0.01940.0099-0.25720.0252-0.04320.0975-0.00110.01590.0747-0.00080.0888.887520.12945.5988
280.41080.18940.32930.26090.48331.0167-0.11290-0.0138-0.27710.0318-0.0126-0.2982-0.01780.05260.18010.02720.00840.08760.0110.10046.757223.94371.2763
290.389-0.236-0.29940.39130.12840.5205-0.010.10720.057-0.13510.00110.1158-0.1328-0.07080.01030.13630.0153-0.01390.12310.01540.09963.912214.7398-8.581
300.89250.0705-0.27410.0944-0.18030.33770.00180.1288-0.2731-0.05940.03580.05090.04910.2586-0.0050.1001-0.00480.0320.1661-0.02370.087821.26255.8548-6.1123
314.7562-1.59491.07640.7721-1.35494.7287-0.1719-0.04890.63750.31340.1059-0.3057-0.77820.1620.1150.2799-0.0194-0.02010.1232-0.02580.175517.117125.910638.5042
320.48830.27840.06070.2692-0.10520.1834-0.0578-0.10960.1782-0.0236-0.03750.1121-0.0026-0.04090.04580.19010.01710.01160.1172-0.02520.10992.758814.039145.2597
330.11970.01560.03310.18920.30680.55670.0793-0.0878-0.0410.0020.0476-0.12340.0954-0.1602-0.10030.1379-0.01680.03480.08410.01980.1327-8.3827-2.226436.3344
340.26650.29070.08661.07170.59260.41880.1028-0.01070.13810.1716-0.0240.01390.00160.0451-0.07010.07570.01850.01620.06910.00940.0902-1.56215.851924.2354
350.4240.0998-0.04830.11790.1720.55080.01360.0243-0.04120.0248-0.0123-0.05540.14960.0578-0.01220.10890.0010.01090.07430.00080.09672.6301-1.045322.9687
360.0348-0.04940.08420.415-0.09411.00110.02740.0862-0.03080.05010.02860.1632-0.062-0.3054-0.05750.07190.01210.01980.13960.01040.1335-10.17436.69515.7349
370.1419-0.1583-0.24050.5290.08830.8429-0.00290.00950.00920.04290.01270.1123-0.1155-0.29920.01940.08340.03380.02630.12010.01780.1318-10.531810.144725.9062
381.3269-0.3663-0.01860.9954-0.44890.55620.11-0.05520.160.2147-0.05270.2961-0.2426-0.1832-0.10150.12590.03050.06430.08370.0110.1445-10.342514.578834.5701
391.0794-0.4396-0.02050.2222-0.19860.99760.0023-0.04540.3430.1520.0411-0.1308-0.33530.0241-0.09770.13670.01450.02610.09650.0030.09613.803717.541434.3661
400.74160.4020.3980.42240.55550.77870.1367-0.095-0.10940.3078-0.18150.0150.254-0.02270.03370.15990.00060.02390.08780.00450.11371.4792-3.958636.8737
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(CHAIN A AND RESID 4:9)
2X-RAY DIFFRACTION2(CHAIN A AND RESID 10:27)
3X-RAY DIFFRACTION3(CHAIN A AND RESID 28:49)
4X-RAY DIFFRACTION4(CHAIN A AND RESID 50:63)
5X-RAY DIFFRACTION5(CHAIN A AND RESID 64:98)
6X-RAY DIFFRACTION6(CHAIN A AND RESID 99:127)
7X-RAY DIFFRACTION7(CHAIN A AND RESID 128:143)
8X-RAY DIFFRACTION8(CHAIN A AND RESID 144:165)
9X-RAY DIFFRACTION9(CHAIN A AND RESID 166:190)
10X-RAY DIFFRACTION10(CHAIN A AND RESID 191:196)
11X-RAY DIFFRACTION11(CHAIN B AND RESID 4:15)
12X-RAY DIFFRACTION12(CHAIN B AND RESID 16:27)
13X-RAY DIFFRACTION13(CHAIN B AND RESID 28:47)
14X-RAY DIFFRACTION14(CHAIN B AND RESID 48:70)
15X-RAY DIFFRACTION15(CHAIN B AND RESID 71:98)
16X-RAY DIFFRACTION16(CHAIN B AND RESID 99:125)
17X-RAY DIFFRACTION17(CHAIN B AND RESID 126:143)
18X-RAY DIFFRACTION18(CHAIN B AND RESID 144:164)
19X-RAY DIFFRACTION19(CHAIN B AND RESID 165:179)
20X-RAY DIFFRACTION20(CHAIN B AND RESID 180:195)
21X-RAY DIFFRACTION21(CHAIN C AND RESID 5:12)
22X-RAY DIFFRACTION22(CHAIN C AND RESID 13:26)
23X-RAY DIFFRACTION23(CHAIN C AND RESID 27:39)
24X-RAY DIFFRACTION24(CHAIN C AND RESID 40:61)
25X-RAY DIFFRACTION25(CHAIN C AND RESID 62:74)
26X-RAY DIFFRACTION26(CHAIN C AND RESID 75:99)
27X-RAY DIFFRACTION27(CHAIN C AND RESID 100:125)
28X-RAY DIFFRACTION28(CHAIN C AND RESID 126:143)
29X-RAY DIFFRACTION29(CHAIN C AND RESID 144:180)
30X-RAY DIFFRACTION30(CHAIN C AND RESID 181:195)
31X-RAY DIFFRACTION31(CHAIN D AND RESID 4:12)
32X-RAY DIFFRACTION32(CHAIN D AND RESID 13:28)
33X-RAY DIFFRACTION33(CHAIN D AND RESID 29:47)
34X-RAY DIFFRACTION34(CHAIN D AND RESID 48:62)
35X-RAY DIFFRACTION35(CHAIN D AND RESID 63:95)
36X-RAY DIFFRACTION36(CHAIN D AND RESID 96:119)
37X-RAY DIFFRACTION37(CHAIN D AND RESID 120:149)
38X-RAY DIFFRACTION38(CHAIN D AND RESID 150:168)
39X-RAY DIFFRACTION39(CHAIN D AND RESID 169:177)
40X-RAY DIFFRACTION40(CHAIN D AND RESID 178:198)

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