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- PDB-3e81: Structure-function Analysis of 2-Keto-3-deoxy-D-glycero-D-galacto... -

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Basic information

Entry
Database: PDB / ID: 3.0E+81
TitleStructure-function Analysis of 2-Keto-3-deoxy-D-glycero-D-galacto-nononate-9-phosphate (KDN) Phosphatase Defines a New Clad Within the Type C0 HAD Subfamily
ComponentsAcylneuraminate cytidylyltransferase
KeywordsTRANSFERASE / 2-keto-3-deoxynononic acid 9-phosphate phosphohydrolase / Nucleotidyltransferase
Function / homology
Function and homology information


3-deoxy-D-glycero-D-galacto-nonulopyranosonate 9-phosphatase / hydrolase activity, acting on ester bonds / metal ion binding
Similarity search - Function
KdsC family / : / HAD-superfamily hydrolase,subfamily IIIA / haloacid dehalogenase-like hydrolase / HAD superfamily/HAD-like / haloacid dehalogenase-like hydrolase / HAD superfamily / HAD-like superfamily / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
DI(HYDROXYETHYL)ETHER / N-acetyl-beta-neuraminic acid / oxido(dioxo)vanadium / 2-keto-3-deoxy-D-glycero-D-galacto-9-phosphonononic acid phosphatase
Similarity search - Component
Biological speciesBacteroides thetaiotaomicron (bacteria)
MethodX-RAY DIFFRACTION / Resolution: 1.629 Å
AuthorsLu, Z. / Wang, L. / Dunaway-Mariano, D. / Allen, K.N.
CitationJournal: J.Biol.Chem. / Year: 2009
Title: Structure-Function Analysis of 2-Keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate Phosphatase Defines Specificity Elements in Type C0 Haloalkanoate Dehalogenase Family Members.
Authors: Lu, Z. / Wang, L. / Dunaway-Mariano, D. / Allen, K.N.
History
DepositionAug 19, 2008Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 4, 2008Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Aug 31, 2011Group: Refinement description
Revision 1.3Oct 25, 2017Group: Refinement description / Category: software
Revision 1.4Jul 29, 2020Group: Data collection / Derived calculations / Structure summary
Category: chem_comp / entity ...chem_comp / entity / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / pdbx_struct_conn_angle / struct_conn / struct_site / struct_site_gen
Item: _chem_comp.name / _chem_comp.type ..._chem_comp.name / _chem_comp.type / _entity.pdbx_description / _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_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_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.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
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 1.5Aug 30, 2023Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
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: Acylneuraminate cytidylyltransferase
B: Acylneuraminate cytidylyltransferase
C: Acylneuraminate cytidylyltransferase
D: Acylneuraminate cytidylyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)76,18728
Polymers73,4484
Non-polymers2,73924
Water8,683482
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area13700 Å2
ΔGint-50 kcal/mol
Surface area25460 Å2
MethodPISA
2
A: Acylneuraminate cytidylyltransferase
B: Acylneuraminate cytidylyltransferase
C: Acylneuraminate cytidylyltransferase
D: Acylneuraminate cytidylyltransferase
hetero molecules

A: Acylneuraminate cytidylyltransferase
B: Acylneuraminate cytidylyltransferase
C: Acylneuraminate cytidylyltransferase
D: Acylneuraminate cytidylyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)152,37556
Polymers146,8978
Non-polymers5,47848
Water1448
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_455-x-1,-y,z1
Buried area32420 Å2
ΔGint-126 kcal/mol
Surface area45900 Å2
MethodPISA
Unit cell
Length a, b, c (Å)81.958, 106.602, 74.830
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number18
Space group name H-MP21212
Components on special symmetry positions
IDModelComponents
11B-258-

HOH

21C-271-

HOH

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Components

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Protein / Sugars , 2 types, 8 molecules ABCD

#1: Protein
Acylneuraminate cytidylyltransferase


Mass: 18362.064 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bacteroides thetaiotaomicron (bacteria)
Strain: VPI-5482 / Gene: BT_1713 / Plasmid: pET-3A-626 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)pLysS / References: UniProt: Q8A712
#6: Sugar
ChemComp-SLB / N-acetyl-beta-neuraminic acid / N-acetylneuraminic acid / sialic acid / O-sialic acid / 5-N-ACETYL-BETA-D-NEURAMINIC ACID / BETA-SIALIC ACID


Type: D-saccharide, beta linking / Mass: 309.270 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C11H19NO9
IdentifierTypeProgram
DNeup5AcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-neuraminic acidCOMMON NAMEGMML 1.0
b-D-Neup5AcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
Neu5AcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 5 types, 502 molecules

#2: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#3: Chemical
ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C4H10O3
#4: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C2H6O2
#5: Chemical
ChemComp-VN4 / oxido(dioxo)vanadium


Mass: 98.940 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: VO3
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 482 / 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: 2.23 Å3/Da / Density % sol: 44.73 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.5
Details: 30% w/v polyethelene glycol (PEG) 4,000, 0.1 M Tris HCl pH 8.5, 0.2 M sodium acetate and 10 mM magnesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: ROTATING ANODE / Type: RIGAKU RU300 / Wavelength: 1.5418 Å
DetectorType: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Jun 4, 2005 / Details: mirrors
RadiationMonochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.5418 Å / Relative weight: 1
ReflectionResolution: 1.629→50 Å / Num. obs: 81247 / % possible obs: 98.4 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 12.2 % / Biso Wilson estimate: 27.24 Å2 / Rmerge(I) obs: 0.046 / Χ2: 0.997 / Net I/σ(I): 35.4
Reflection shellResolution: 1.629→1.69 Å / Redundancy: 6.6 % / Rmerge(I) obs: 0.508 / Mean I/σ(I) obs: 2.4 / Num. unique all: 7434 / Χ2: 1 / % possible all: 91.2

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Processing

Software
NameVersionClassificationNB
DENZOdata reduction
SCALEPACKdata scaling
PHENIXrefinement
PDB_EXTRACT3.006data extraction
CrystalCleardata collection
MOLREPphasing
RefinementStarting model: PDB ENTRY 1K1E

1k1e


Resolution: 1.629→49.061 Å / Occupancy max: 1 / Occupancy min: 0.3 / FOM work R set: 0.892 / SU ML: 0.25 / Isotropic thermal model: Isotropic / Cross valid method: FREE R / σ(F): 1.89 / σ(I): 0 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.207 7786 5 %RANDOM
Rwork0.174 ---
obs0.176 81192 98.22 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 51.542 Å2 / ksol: 0.373 e/Å3
Displacement parametersBiso max: 96.68 Å2 / Biso mean: 32.003 Å2 / Biso min: 18.95 Å2
Baniso -1Baniso -2Baniso -3
1--6.861 Å2-0 Å20 Å2
2---5.993 Å2-0 Å2
3---0.94 Å2
Refine analyze
FreeObs
Luzzati coordinate error0.21 Å0.17 Å
Luzzati d res low-5 Å
Luzzati sigma a0.16 Å0.15 Å
Refinement stepCycle: LAST / Resolution: 1.629→49.061 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5180 0 170 482 5832
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0075531
X-RAY DIFFRACTIONf_angle_d1.127479
X-RAY DIFFRACTIONf_chiral_restr0.073807
X-RAY DIFFRACTIONf_plane_restr0.005949
X-RAY DIFFRACTIONf_dihedral_angle_d21.9192179
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection allNum. reflection obs% reflection obs (%)
1.629-1.6470.2961940.29341104304411081
1.647-1.6670.2982760.27344804756448090
1.667-1.6870.2582580.25748365094483696
1.687-1.7080.2592810.22949245205492498
1.708-1.7310.252490.207501052595010100
1.731-1.7550.2372490.19849305179493099
1.755-1.780.2222850.18650205305502099
1.78-1.8060.2322480.169499252404992100
1.806-1.8340.2252270.162506452915064100
1.834-1.8650.1912960.157496752634967100
1.865-1.8970.2052600.154501252725012100
1.897-1.9310.2072300.154498652164986100
1.931-1.9680.1832580.144506553235065100
1.968-2.0080.1732800.145498052604980100
2.008-2.0520.1913110.137499953104999100
2.052-2.10.1692700.138499452644994100
2.1-2.1520.1842720.139495352254953100
2.152-2.2110.1872640.142505453185054100
2.211-2.2760.1532920.143499752894997100
2.276-2.3490.1912300.136499952294999100
2.349-2.4330.2092930.149500753005007100
2.433-2.530.2042570.155499952564999100
2.53-2.6450.1982150.157509053055090100
2.645-2.7850.2012750.15549425217494299
2.785-2.960.2032690.16449585227495899
2.96-3.1880.1952490.16249215170492199
3.188-3.5090.1982800.15448835163488398
3.509-4.0160.1882540.14648165070481696
4.016-5.0590.1392390.13549285167492898
5.059-49.0830.22250.17649535178495398
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)
10.7539-0.178-0.16180.4551-0.0051-0.1884-0.0577-0.0627-0.04730.03320.04710.0634-0.04060.007900.27670.0039-0.00050.2727-0.00730.2674-38.271325.6466-14.8372
20.2169-0.2517-0.1070.1260.15810.1881-0.02920.15260.29890.1088-0.0226-0.3495-0.41160.31710.00010.2852-0.03320.03130.25760.00870.2854-31.479432.0503-17.3459
30.37980.1366-0.35550.705-0.16620.77960.0772-0.03270.01830.0373-0.00990.0694-0.0336-0.0104-00.27010.01460.01380.2647-0.01920.2623-44.837731.7-5.21
40.06180.039-0.00770.0299-0.01270.02120.1887-0.34580.17010.5081-0.03930.3244-0.3767-0.16370.00050.34720.00490.04020.3186-0.02170.2992-49.284624.91420.0782
50.1528-0.0969-0.0625-0.07850.05970.31020.14340.1958-0.1882-0.13910.00240.20050.1247-0.0950.00020.2816-0.0079-0.01490.24880.00490.3108-47.711315.5144-5.5746
60.0510.0414-0.0084-0.0107-0.0640.0559-0.18460.2808-0.28670.32360.21550.01020.68990.04330.00030.2983-0.011-0.01740.2633-0.01130.3631-46.41112.6577-16.0472
7-0.0988-0.07850.1633-0.188-0.03490.1416-0.0169-0.1039-0.14760.07090.0558-0.01940.05530.065800.27850.0127-0.01830.2756-0.01280.2764-49.54221.3839-20.5295
80.1297-0.07310.0420.18490.03510.0958-0.05370.3887-0.1015-0.3985-0.20390.3193-0.1356-0.59230.00060.39950.0265-0.05490.3263-0.00940.2956-54.32826.0465-34.097
90.38560.2922-0.03320.4309-0.32560.85240.059-0.01940.03370.00970.0053-0.00940.09660.094400.2598-0.0119-0.00460.2639-0.00150.2735-23.44859.7548-2.727
100.0713-0.05030.03020.0879-0.04820.205-0.04280.07780.42530.14750.0573-0.2597-0.20690.05500.2809-0.0261-0.02510.2695-0.00490.3054-18.165617.7312-2.8534
110.7181-0.3266-0.32410.81850.07590.39270.0299-0.0347-0.08650.0388-0.0152-0.16180.10180.0688-00.2528-0.006-0.03210.26130.01290.2293-17.33512.12136.0944
12-0.0074-0.00710.0072-0.01230.05680.00980.19510.1102-0.81220.14950.071-0.37010.78130.17610.00060.34550.0191-0.03230.30110.01420.3518-19.5545-6.91954.2268
130.0989-0.1106-0.29350.2215-0.02230.0111-0.0050.2179-0.229-0.0439-0.00180.169-0.0201-0.021100.2673-0.01980.00480.2537-0.02780.2822-27.5806-5.9889-3.232
140.05690.00870.04060.10520.04760.0770.16640.0763-0.1023-0.26480.2330.51940.2089-0.2657-0.00010.27-0.0402-0.02770.33650.02110.3437-35.08750.5503-6.5176
150.1989-0.0124-0.1453-0.00840.14240.0369-0.03950.1951-0.0548-0.09760.02530.09880.1252-0.0415-00.25660.0001-0.00110.29090.00340.2763-35.18526.47511.2987
160.0974-0.0490.01070.05320.03760.116-0.2372-0.65780.50390.28390.20820.2376-0.245-0.03970.00020.38650.0112-0.00290.414-0.02880.412-44.836816.31478.5343
170.33470.1640.06760.0620.07690.8457-0.00470.08180.0734-0.10750.0328-0.0241-0.0968-0.063200.3081-0.00380.01670.2891-0.00140.2709-30.052216.882-36.2648
18-0.00110.1725-0.08420.15790.05310.08740.0706-0.07070.3101-0.10990.0305-0.2067-0.230.348100.269-0.06040.05330.30580.02540.2942-21.549621.4718-36.515
191.3395-0.12730.52820.755-0.06890.3631-0.04680.21920.3315-0.23590.05020.1457-0.1698-0.122100.3692-0.0059-0.00420.29610.04210.2657-37.095923.1733-45.388
200.08140.0539-0.0453-0.01740.01360.00710.27720.37550.3175-0.3593-0.01920.7716-0.3239-0.53070.00090.39520.0352-0.02220.34530.02280.366-46.411921.8742-43.4342
210.2886-0.15060.08030.3475-0.14760.0899-0.0295-0.2193-0.12770.1961-0.05920.20610.16010.0226-0.00030.2807-0.0030.01440.2893-0.00950.277-46.058913.7853-36.0233
220.0711-0.0322-0.0155-0.0192-0.00770.03960.1064-0.7599-0.25220.53130.0070.64210.6566-0.26330.00010.36-0.01950.01610.29160.01950.3304-40.11195.8644-32.5999
23-0.2016-0.3873-0.08470.16010.1135-0.0050.048-0.12550.14140.2082-0.00640.0270.1926-0.135300.3257-0.01260.00620.26240.00790.2398-34.12455.3323-40.5259
240.0475-0.0255-0.03610.1096-0.04270.1165-0.17590.3975-0.7401-0.87460.1782-0.61420.04430.4069-0.00030.40770.03460.06430.38580.01120.3506-24.9659-4.9213-47.8614
250.49440.2359-0.01260.73520.25830.44580.09310.1109-0.1328-0.1078-0.0541-0.02580.03680.1449-00.25140.01660.00770.3012-0.01330.3148-15.38661.1817-24.5137
26-0.03670.0406-0.1741-0.0052-0.0960.05380.0696-0.05630.09860.1636-0.0111-0.1368-0.15170.3389-0.00010.2329-0.01330.00430.3456-0.02240.2993-8.3937.3995-21.8647
270.66350.21450.10190.4128-0.3811.07050.04090.2823-0.2929-0.2826-0.0337-0.31430.30360.4180.00010.31460.08180.03990.3934-0.04370.3838-9.7567-5.9531-34.0852
280.00450.04060.02780.0030.0655-0.0224-0.0330.7943-0.5296-0.4203-0.0362-0.43650.61030.46320.00110.41220.03150.05950.3965-0.0980.372-16.6093-9.8918-39.3643
290.0522-0.00610.110.09210.13190.47990.0046-0.1540.11490.21470.1286-0.01590.3083-0.346400.2545-0.0115-0.01130.25080.00110.2777-25.9233-7.8123-33.6929
300.0601-0.01870.04920.02340.02460.0558-0.05930.0273-0.04380.36040.19840.77550.098-0.2955-00.3579-0.0287-0.01150.34340.02480.3907-28.7447-6.3355-23.31
310.0309-0.0554-0.24880.0162-0.06760.15530.03860.0646-0.09110.14750.04920.2053-0.0195-0.1036-00.30680.01120.00020.29510.00590.3203-20.3786-9.3569-18.8949
320.0741-0.0794-0.01510.033-0.06510.0590.1608-0.7105-0.28950.8543-0.26040.28670.64560.0460.00010.36020.0137-0.03710.41870.0250.4424-15.801-14.8833-5.084
33-0.05380.16760.00540.02640.00850.136-0.0024-0.0238-0.00490.01530.0157-0.0233-0.02610.0158-0.00010.24840.00150.01020.2483-0.00310.2484-30.772813.1106-17.9663
342.1673-2.3092-0.02842.6015-0.16983.5578-0.01820.0622-0.0166-0.0048-0.0549-0.0797-0.09060.0972-0.00070.1377-0.21760.02620.1887-0.01590.3969-28.745911.4472-19.6359
350.82350.4779-0.39950.263-0.7121-0.10740.0052-0.1922-0.07350.2621-0.0287-0.2829-0.15930.2753-0.00070.57610.2024-0.14610.48720.00130.5586-16.562712.1489-18.5899
360.97390.12430.669-0.08720.25040.30730.3637-0.0577-0.1818-0.4150.111-0.0384-0.44630.4156-0.0040.4364-0.01780.09140.21760.07690.344-35.616133.3287-20.4991
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 1:171 )A1 - 171
2X-RAY DIFFRACTION2( CHAIN A AND RESID 57:69 )A57 - 69
3X-RAY DIFFRACTION3( CHAIN A AND RESID 70:108 )A70 - 108
4X-RAY DIFFRACTION4( CHAIN A AND RESID 109:113 )A109 - 113
5X-RAY DIFFRACTION5( CHAIN A AND RESID 114:133 )A114 - 133
6X-RAY DIFFRACTION6( CHAIN A AND RESID 134:138 )A134 - 138
7X-RAY DIFFRACTION7( CHAIN A AND RESID 139:156 )A139 - 156
8X-RAY DIFFRACTION8( CHAIN A AND RESID 157:164 )A157 - 164
9X-RAY DIFFRACTION9( CHAIN B AND RESID 1:171 )B1 - 171
10X-RAY DIFFRACTION10( CHAIN B AND RESID 57:69 )B57 - 69
11X-RAY DIFFRACTION11( CHAIN B AND RESID 70:108 )B70 - 108
12X-RAY DIFFRACTION12( CHAIN B AND RESID 109:113 )B109 - 113
13X-RAY DIFFRACTION13( CHAIN B AND RESID 114:133 )B114 - 133
14X-RAY DIFFRACTION14( CHAIN B AND RESID 134:138 )B134 - 138
15X-RAY DIFFRACTION15( CHAIN B AND RESID 139:156 )B139 - 156
16X-RAY DIFFRACTION16( CHAIN B AND RESID 157:164 )B157 - 164
17X-RAY DIFFRACTION17( CHAIN C AND RESID 1:171 )C1 - 171
18X-RAY DIFFRACTION18( CHAIN C AND RESID 57:69 )C57 - 69
19X-RAY DIFFRACTION19( CHAIN C AND RESID 70:108 )C70 - 108
20X-RAY DIFFRACTION20( CHAIN C AND RESID 109:113 )C109 - 113
21X-RAY DIFFRACTION21( CHAIN C AND RESID 114:133 )C114 - 133
22X-RAY DIFFRACTION22( CHAIN C AND RESID 134:138 )C134 - 138
23X-RAY DIFFRACTION23( CHAIN C AND RESID 139:156 )C139 - 156
24X-RAY DIFFRACTION24( CHAIN C AND RESID 157:164 )C157 - 164
25X-RAY DIFFRACTION25( CHAIN D AND RESID 1:170 )D1 - 170
26X-RAY DIFFRACTION26( CHAIN D AND RESID 57:69 )D57 - 69
27X-RAY DIFFRACTION27( CHAIN D AND RESID 70:108 )D70 - 108
28X-RAY DIFFRACTION28( CHAIN D AND RESID 109:113 )D109 - 113
29X-RAY DIFFRACTION29( CHAIN D AND RESID 114:133 )D114 - 133
30X-RAY DIFFRACTION30( CHAIN D AND RESID 134:138 )D134 - 138
31X-RAY DIFFRACTION31( CHAIN D AND RESID 139:156 )D139 - 156
32X-RAY DIFFRACTION32( CHAIN D AND RESID 157:164 )D157 - 164
33X-RAY DIFFRACTION33( CHAIN A AND RESID 173:330 ) OR ( CHAIN C AND RESID 177:283 ) OR ( CHAIN B AND RESID 172:281 ) OR ( CHAIN D AND RESID 174:280 )A173 - 330
34X-RAY DIFFRACTION33( CHAIN A AND RESID 173:330 ) OR ( CHAIN C AND RESID 177:283 ) OR ( CHAIN B AND RESID 172:281 ) OR ( CHAIN D AND RESID 174:280 )C177 - 283
35X-RAY DIFFRACTION33( CHAIN A AND RESID 173:330 ) OR ( CHAIN C AND RESID 177:283 ) OR ( CHAIN B AND RESID 172:281 ) OR ( CHAIN D AND RESID 174:280 )B172 - 281
36X-RAY DIFFRACTION33( CHAIN A AND RESID 173:330 ) OR ( CHAIN C AND RESID 177:283 ) OR ( CHAIN B AND RESID 172:281 ) OR ( CHAIN D AND RESID 174:280 )D174 - 280
37X-RAY DIFFRACTION34( CHAIN A AND RESID 165:165 ) OR ( CHAIN C AND RESID 165:165 ) OR ( CHAIN B AND RESID 165:165 ) OR ( CHAIN D AND RESID 165:165 )A165
38X-RAY DIFFRACTION34( CHAIN A AND RESID 165:165 ) OR ( CHAIN C AND RESID 165:165 ) OR ( CHAIN B AND RESID 165:165 ) OR ( CHAIN D AND RESID 165:165 )C165
39X-RAY DIFFRACTION34( CHAIN A AND RESID 165:165 ) OR ( CHAIN C AND RESID 165:165 ) OR ( CHAIN B AND RESID 165:165 ) OR ( CHAIN D AND RESID 165:165 )B165
40X-RAY DIFFRACTION34( CHAIN A AND RESID 165:165 ) OR ( CHAIN C AND RESID 165:165 ) OR ( CHAIN B AND RESID 165:165 ) OR ( CHAIN D AND RESID 165:165 )D165
41X-RAY DIFFRACTION35( CHAIN A AND RESID 166:166 ) OR ( CHAIN C AND RESID 166:166 ) OR ( CHAIN B AND RESID 166:167 ) OR ( CHAIN D AND RESID 166:167 )A166
42X-RAY DIFFRACTION35( CHAIN A AND RESID 166:166 ) OR ( CHAIN C AND RESID 166:166 ) OR ( CHAIN B AND RESID 166:167 ) OR ( CHAIN D AND RESID 166:167 )C166
43X-RAY DIFFRACTION35( CHAIN A AND RESID 166:166 ) OR ( CHAIN C AND RESID 166:166 ) OR ( CHAIN B AND RESID 166:167 ) OR ( CHAIN D AND RESID 166:167 )B166 - 167
44X-RAY DIFFRACTION35( CHAIN A AND RESID 166:166 ) OR ( CHAIN C AND RESID 166:166 ) OR ( CHAIN B AND RESID 166:167 ) OR ( CHAIN D AND RESID 166:167 )D166 - 167
45X-RAY DIFFRACTION36( CHAIN A AND RESID 167:169 ) OR ( CHAIN C AND RESID 167:168 ) OR ( CHAIN B AND RESID 168:168 )A167 - 169
46X-RAY DIFFRACTION36( CHAIN A AND RESID 167:169 ) OR ( CHAIN C AND RESID 167:168 ) OR ( CHAIN B AND RESID 168:168 )C167 - 168
47X-RAY DIFFRACTION36( CHAIN A AND RESID 167:169 ) OR ( CHAIN C AND RESID 167:168 ) OR ( CHAIN B AND RESID 168:168 )B168

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