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- PDB-9prr: X-ray crystal structure of Streptomyces cacaoi PolF in complex wi... -

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Basic information

Entry
Database: PDB / ID: 9prr
TitleX-ray crystal structure of Streptomyces cacaoi PolF in complex with iron and L-isoleucine
ComponentsPolF
KeywordsOXIDOREDUCTASE / polyoximic acid / diiron cofactor / biosynthesis / cyclization / heme-oxygenase-like diiron enzyme / BIOSYNTHETIC PROTEIN
Function / homology: / ISOLEUCINE
Function and homology information
Biological speciesStreptomyces cacaoi (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.06 Å
AuthorsBlancas Cortez, J.J. / Boal, A.K.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)5 R35GM119707 United States
CitationJournal: Nat.Chem. / Year: 2025
Title: Azetidine amino acid biosynthesis by non-haem iron-dependent enzymes.
Authors: Du, Y. / Thanapipatsiri, A. / Blancas Cortez, J.J. / Salas-Sola, X.E. / Lin, C.Y. / Boal, A.K. / Krebs, C. / Bollinger Jr., J.M. / Yokoyama, K.
History
DepositionJul 24, 2025Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 15, 2025Provider: repository / Type: Initial release
Revision 1.1Nov 5, 2025Group: 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.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.identifier_ORCID / _citation_author.name

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: PolF
B: PolF
C: PolF
D: PolF
E: PolF
F: PolF
hetero molecules


Theoretical massNumber of molelcules
Total (without water)183,10635
Polymers181,0086
Non-polymers2,09929
Water2,522140
1
A: PolF
F: PolF
hetero molecules


Theoretical massNumber of molelcules
Total (without water)61,04412
Polymers60,3362
Non-polymers70810
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4220 Å2
ΔGint-164 kcal/mol
Surface area22120 Å2
MethodPISA
2
B: PolF
C: PolF
hetero molecules


Theoretical massNumber of molelcules
Total (without water)61,04412
Polymers60,3362
Non-polymers70810
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4070 Å2
ΔGint-142 kcal/mol
Surface area22030 Å2
MethodPISA
3
D: PolF
E: PolF
hetero molecules


Theoretical massNumber of molelcules
Total (without water)61,01811
Polymers60,3362
Non-polymers6829
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3860 Å2
ΔGint-139 kcal/mol
Surface area22290 Å2
MethodPISA
Unit cell
Length a, b, c (Å)78.586, 143.628, 81.447
Angle α, β, γ (deg.)90.000, 109.777, 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, 6 molecules ABCDEF

#1: Protein
PolF


Mass: 30167.922 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Details: The originally expressed polypeptide construct possessed the extra sequence MGSSHHHHHHSSGLVPRGSHGENLYFQ at the N-terminus. This sequence included a His6, thrombin recognition, TEV- ...Details: The originally expressed polypeptide construct possessed the extra sequence MGSSHHHHHHSSGLVPRGSHGENLYFQ at the N-terminus. This sequence included a His6, thrombin recognition, TEV-recognition sequence, and linkers between them. This extra sequence was cleaved off the construct through TEV incubation and removed from protein solution through Ni-NTA and S200 purification.
Source: (gene. exp.) Streptomyces cacaoi (bacteria) / Production host: Escherichia coli BL21(DE3) (bacteria)

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Non-polymers , 5 types, 169 molecules

#2: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3
#3: Chemical
ChemComp-FE2 / FE (II) ION


Mass: 55.845 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: Fe / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: Zn
#5: Chemical
ChemComp-ILE / ISOLEUCINE


Type: L-peptide linking / Mass: 131.173 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C6H13NO2 / Feature type: SUBJECT OF INVESTIGATION
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 140 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY
Has protein modificationN

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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: 2.39 Å3/Da / Density % sol: 48.53 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop
Details: 0.5 M Lithium Chloride, 0.1 M Tris PH 7.6, 15% (w/v) PEG 6000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: NSLS-II / Beamline: 17-ID-1 / Wavelength: 0.919689 Å
DetectorType: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Jun 13, 2025
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.919689 Å / Relative weight: 1
ReflectionResolution: 2.06→34.16 Å / Num. obs: 51376 / % possible obs: 91.69 % / Redundancy: 6.81 % / Biso Wilson estimate: 27.27 Å2 / CC1/2: 0.973 / Net I/σ(I): 7.6
Reflection shellResolution: 2.06→2.7 Å / Num. unique obs: 5703 / CC1/2: 0.67

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Processing

Software
NameVersionClassification
PHENIX1.21.1.5286refinement
XDSdata reduction
Aimlessdata scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.06→34.16 Å / SU ML: 0.1964 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 27.8316
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2346 1993 3.89 %
Rwork0.1959 49283 -
obs0.1974 51276 49.1 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 30.41 Å2
Refinement stepCycle: LAST / Resolution: 2.06→34.16 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12380 0 71 140 12591
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002912671
X-RAY DIFFRACTIONf_angle_d0.555917214
X-RAY DIFFRACTIONf_chiral_restr0.03871926
X-RAY DIFFRACTIONf_plane_restr0.00492282
X-RAY DIFFRACTIONf_dihedral_angle_d14.5144430
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.06-2.1100.54889X-RAY DIFFRACTION0.12
2.11-2.170.582720.487751X-RAY DIFFRACTION0.73
2.17-2.230.535130.455770X-RAY DIFFRACTION0.99
2.23-2.310.332420.402956X-RAY DIFFRACTION0.78
2.31-2.380.117920.321765X-RAY DIFFRACTION0.99
2.4-2.480.241570.2705128X-RAY DIFFRACTION2.2
2.49-2.60.3225650.25861653X-RAY DIFFRACTION23.19
2.6-2.730.27971880.26044637X-RAY DIFFRACTION64.68
2.73-2.910.26672750.24256852X-RAY DIFFRACTION95.41
2.91-3.130.28552900.22617156X-RAY DIFFRACTION100
3.13-3.440.2422880.217109X-RAY DIFFRACTION99.21
3.44-3.940.23792900.18837042X-RAY DIFFRACTION97.98
3.94-4.960.2062860.15727187X-RAY DIFFRACTION99.83
4.96-34.160.19612950.17187268X-RAY DIFFRACTION99.85
Refinement TLS params.Method: refined / Origin x: 37.905 Å / Origin y: 17.042 Å / Origin z: -23.093 Å
111213212223313233
T0.084100489560786 Å2-0.012597434096985 Å20.02882471188469 Å2-0.13355548033253 Å2-0.0046730667173839 Å2--0.13651061589341 Å2
L0.30828802645721 °20.0060026409432283 °20.21298421152054 °2-0.35744238701922 °2-0.024093875274745 °2--0.70543045232371 °2
S0.0027781494545141 Å °-0.055612011637048 Å °0.0547 Å °0.0068844926665461 Å °-0.0049136900457832 Å °0.004 Å °-0.01167063834319 Å °0.02126027812126 Å °0.00532 Å °
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )A7 - 275
2X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )A301
3X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )A302 - 303
4X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )A401 - 427
5X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )A304 - 305
6X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )B7 - 275
7X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )B301
8X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )B302 - 303
9X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )B401 - 423
10X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )B304 - 305
11X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )C7 - 275
12X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )C301
13X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )C302 - 303
14X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )C401 - 424
15X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )C304 - 305
16X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )D7 - 275
17X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )D301
18X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )D302 - 303
19X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )D401 - 417
20X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )D304
21X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )E6 - 275
22X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )E301
23X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )E302 - 303
24X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )E401 - 430
25X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )E304 - 305
26X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )F12 - 275
27X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )F301
28X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )F302 - 303
29X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )F401 - 419
30X-RAY DIFFRACTION1( CHAIN A AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:427 OR RESID 304:305 ) ) OR ( CHAIN B AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:423 OR RESID 304:305 ) ) OR ( CHAIN C AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:424 OR RESID 304:305 ) ) OR ( CHAIN D AND ( RESID 7:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:417 OR RESID 304:304 ) ) OR ( CHAIN E AND ( RESID 6:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:430 OR RESID 304:305 ) ) OR ( CHAIN F AND ( RESID 12:275 OR RESID 301:301 OR RESID 302:303 OR RESID 401:419 OR RESID 304:305 ) )F304 - 305

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