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- PDB-4els: Structure of E. Coli. 1,4-dihydroxy-2- naphthoyl coenzyme A synth... -

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Basic information

Entry
Database: PDB / ID: 4els
TitleStructure of E. Coli. 1,4-dihydroxy-2- naphthoyl coenzyme A synthases (MENB) in complex with bicarbonate
Components1,4-Dihydroxy-2-naphthoyl-CoA synthase
KeywordsLYASE / dihydroxynaphthoic acid synthetase
Function / homology
Function and homology information


1,4-dihydroxy-2-naphthoyl-CoA synthase / 1,4-dihydroxy-2-naphthoyl-CoA synthase activity / bicarbonate binding / menaquinone biosynthetic process / cytosol
Similarity search - Function
1,4-Dihydroxy-2-naphthoyl-CoA synthase, MenB / Lyase 2-enoyl-coa Hydratase, Chain A, domain 2 / Lyase 2-enoyl-coa Hydratase; Chain A, domain 2 / Enoyl-CoA hydratase, C-terminal / Enoyl-CoA hydratase/isomerase, conserved site / Enoyl-CoA hydratase/isomerase signature. / Enoyl-CoA hydratase/isomerase / Enoyl-CoA hydratase/isomerase / 2-enoyl-CoA Hydratase; Chain A, domain 1 / 2-enoyl-CoA Hydratase; Chain A, domain 1 ...1,4-Dihydroxy-2-naphthoyl-CoA synthase, MenB / Lyase 2-enoyl-coa Hydratase, Chain A, domain 2 / Lyase 2-enoyl-coa Hydratase; Chain A, domain 2 / Enoyl-CoA hydratase, C-terminal / Enoyl-CoA hydratase/isomerase, conserved site / Enoyl-CoA hydratase/isomerase signature. / Enoyl-CoA hydratase/isomerase / Enoyl-CoA hydratase/isomerase / 2-enoyl-CoA Hydratase; Chain A, domain 1 / 2-enoyl-CoA Hydratase; Chain A, domain 1 / ClpP/crotonase-like domain superfamily / Alpha-Beta Complex / Orthogonal Bundle / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
BICARBONATE ION / DI(HYDROXYETHYL)ETHER / 1,4-dihydroxy-2-naphthoyl-CoA synthase
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.303 Å
AuthorsSun, Y.R. / Song, H.G. / Li, J. / Jiang, M. / Li, Y. / Zhou, J.H. / Guo, Z.H.
CitationJournal: Biochemistry / Year: 2012
Title: Active site binding and catalytic role of bicarbonate in 1,4-dihydroxy-2-naphthoyl coenzyme A synthases from vitamin K biosynthetic pathways
Authors: Sun, Y.R. / Song, H.G. / Li, J. / Jiang, M. / Li, Y. / Zhou, J.H. / Guo, Z.H.
History
DepositionApr 11, 2012Deposition site: RCSB / Processing site: PDBJ
Revision 1.0Jun 6, 2012Provider: repository / Type: Initial release
Revision 1.1Jul 3, 2013Group: Database references
Revision 1.2Nov 8, 2023Group: Data collection / Database references ...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 / struct_ncs_dom_lim / struct_site
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 / _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: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
B: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
C: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
D: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
E: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
F: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)191,41428
Polymers190,0276
Non-polymers1,38722
Water6,900383
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area36380 Å2
ΔGint-168 kcal/mol
Surface area47390 Å2
MethodPISA
Unit cell
Length a, b, c (Å)76.367, 133.888, 153.250
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
31C
41D
51E
61F

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
11ASPASPASPASPchain A and (resseq 5:87 or resseq 106:269 or resseq 275:285 )AA5 - 875 - 87
12LEULEUALAALAchain A and (resseq 5:87 or resseq 106:269 or resseq 275:285 )AA106 - 269106 - 269
13GLNGLNPROPROchain A and (resseq 5:87 or resseq 106:269 or resseq 275:285 )AA275 - 285275 - 285
21ASPASPASPASPchain B and (resseq 5:87 or resseq 106:269 or resseq 275:285 )BB5 - 875 - 87
22LEULEUALAALAchain B and (resseq 5:87 or resseq 106:269 or resseq 275:285 )BB106 - 269106 - 269
23GLNGLNPROPROchain B and (resseq 5:87 or resseq 106:269 or resseq 275:285 )BB275 - 285275 - 285
31ASPASPGLYGLYchain C and (resseq 5:86 or resseq 106:262 )CC5 - 865 - 86
32LEULEUGLUGLUchain C and (resseq 5:86 or resseq 106:262 )CC106 - 262106 - 262
41ASPASPASPASPchain D and (resseq 5:87 or resseq 106:269 or resseq 275:285 )DD5 - 875 - 87
42LEULEUALAALAchain D and (resseq 5:87 or resseq 106:269 or resseq 275:285 )DD106 - 269106 - 269
43GLNGLNPROPROchain D and (resseq 5:87 or resseq 106:269 or resseq 275:285 )DD275 - 285275 - 285
51ASPASPASPASPchain E and (resseq 5:87 or resseq 106:269 or resseq 275:285 )EE5 - 875 - 87
52LEULEUALAALAchain E and (resseq 5:87 or resseq 106:269 or resseq 275:285 )EE106 - 269106 - 269
53GLNGLNPROPROchain E and (resseq 5:87 or resseq 106:269 or resseq 275:285 )EE275 - 285275 - 285
61ASPASPASPASPchain F and (resseq 5:87 or resseq 106:269 or resseq 275:285 )FF5 - 875 - 87
62LEULEUALAALAchain F and (resseq 5:87 or resseq 106:269 or resseq 275:285 )FF106 - 269106 - 269
63GLNGLNPROPROchain F and (resseq 5:87 or resseq 106:269 or resseq 275:285 )FF275 - 285275 - 285

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Components

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Protein , 1 types, 6 molecules ABCDEF

#1: Protein
1,4-Dihydroxy-2-naphthoyl-CoA synthase / DHNA-CoA synthase


Mass: 31671.105 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Strain: K12 / Gene: menB / Production host: Escherichia coli (E. coli)
References: UniProt: P0ABU0, 1,4-dihydroxy-2-naphthoyl-CoA synthase

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Non-polymers , 6 types, 405 molecules

#2: Chemical
ChemComp-BCT / BICARBONATE ION


Mass: 61.017 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: CHO3
#3: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C3H8O3
#4: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C2H6O2
#5: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Cl
#6: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER


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


Mass: 18.015 Da / Num. of mol.: 383 / 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: 2.06 Å3/Da / Density % sol: 40.33 %
Crystal growMethod: vapor diffusion, hanging drop / pH: 8
Details: 2% Tacsimate, 100mM Tris, 20% PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 0.979 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Sep 10, 2011
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979 Å / Relative weight: 1
ReflectionResolution: 2.3→42.849 Å / Num. all: 69785 / Num. obs: 69785 / % possible obs: 99.6 % / Redundancy: 6.8 % / Biso Wilson estimate: 33.57 Å2 / Rmerge(I) obs: 0.199
Reflection shellResolution: 2.3→2.33 Å / % possible all: 99.1

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Processing

Software
NameVersionClassification
HKL-2000data collection
PHASESphasing
PHENIX(phenix.refine: 1.7.3_928)refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3HO2

3ho2


Resolution: 2.303→42.849 Å / Occupancy max: 1 / Occupancy min: 0.45 / FOM work R set: 0.8409 / SU ML: 0.29 / σ(F): 1.91 / Phase error: 22.72 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2219 3517 5.04 %RANDOM
Rwork0.1825 ---
obs0.1845 69785 99.35 %-
all-69785 --
Solvent computationShrinkage radii: 1.11 Å / VDW probe radii: 1.3 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 41.303 Å2 / ksol: 0.344 e/Å3
Displacement parametersBiso max: 138.32 Å2 / Biso mean: 38.7451 Å2 / Biso min: 6.89 Å2
Baniso -1Baniso -2Baniso -3
1-14.0076 Å2-0 Å2-0 Å2
2---3.3155 Å20 Å2
3----10.692 Å2
Refinement stepCycle: LAST / Resolution: 2.303→42.849 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11893 0 84 383 12360
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00712208
X-RAY DIFFRACTIONf_angle_d1.03716480
X-RAY DIFFRACTIONf_chiral_restr0.071779
X-RAY DIFFRACTIONf_plane_restr0.0052183
X-RAY DIFFRACTIONf_dihedral_angle_d12.9914439
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDTypeRms dev position (Å)
11A1942X-RAY DIFFRACTIONPOSITIONAL0.052
12B1942X-RAY DIFFRACTIONPOSITIONAL0.052
13C1782X-RAY DIFFRACTIONPOSITIONAL0.047
14D1927X-RAY DIFFRACTIONPOSITIONAL0.055
15E1935X-RAY DIFFRACTIONPOSITIONAL0.061
16F1929X-RAY DIFFRACTIONPOSITIONAL0.058
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 25

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.3031-2.33470.30511300.23362551268196
2.3347-2.3680.28931390.23382571271099
2.368-2.40340.30781330.22322621275499
2.4034-2.44090.27261250.22812618274399
2.4409-2.48090.30481200.21462651277199
2.4809-2.52370.27061340.21112608274299
2.5237-2.56960.2651370.19922616275399
2.5696-2.6190.26931450.19012610275599
2.619-2.67250.25441420.18632621276399
2.6725-2.73060.21881390.18812629276899
2.7306-2.79410.28851530.19932589274299
2.7941-2.86390.26481450.19962638278399
2.8639-2.94130.23531270.1826652792100
2.9413-3.02790.23551420.181826362778100
3.0279-3.12560.24631440.173326292773100
3.1256-3.23730.23941570.179126402797100
3.2373-3.36680.19691440.1826442788100
3.3668-3.520.23571200.189626892809100
3.52-3.70550.20991400.181926712811100
3.7055-3.93750.21911290.170826952824100
3.9375-4.24120.18621370.15327052842100
4.2412-4.66760.15061560.144426732829100
4.6676-5.34190.17721550.163627112866100
5.3419-6.7260.23631500.211227392889100
6.726-42.85670.20271740.18162848302299
Refinement TLS params.Method: refined / Origin x: 2.2013 Å / Origin y: 133.6787 Å / Origin z: 18.9093 Å
111213212223313233
T0.0695 Å20.0267 Å2-0.0027 Å2-0.0721 Å20.004 Å2--0.0773 Å2
L0.1752 °20.0245 °20.0501 °2-0.2877 °20.0791 °2--0.3498 °2
S0.0026 Å °-0.0186 Å °0.0081 Å °-0.0112 Å °-0.0064 Å °0.0071 Å °0.0224 Å °0.0051 Å °-0.0002 Å °
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )A4 - 285
2X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )A301 - 303
3X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )A305
4X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )A304
5X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )A401 - 478
6X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )C4 - 262
7X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )C301 - 302
8X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )C303
9X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )C304
10X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )C401 - 457
11X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )B4 - 285
12X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )B301 - 303
13X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )B304
14X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )B401 - 472
15X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )E5 - 285
16X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )E301 - 302
17X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )E401 - 461
18X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )D4 - 285
19X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )D301 - 302
20X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )D303
21X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )D401 - 459
22X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )F5 - 285
23X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )F301 - 303
24X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )F304
25X-RAY DIFFRACTION1( CHAIN A AND ( RESID 4:285 OR RESID 301:303 OR RESID 305:305 OR RESID 304:304 OR RESID 401:478 ) ) OR ( CHAIN C AND ( RESID 4:262 OR RESID 301:302 OR RESID 303:303 OR RESID 304:304 OR RESID 401:457 ) ) OR ( CHAIN B AND ( RESID 4:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:472 ) ) OR ( CHAIN E AND ( RESID 5:285 OR RESID 301:302 OR RESID 401:461 ) ) OR ( CHAIN D AND ( RESID 4:285 OR RESID 301:302 OR RESID 303:303 OR RESID 401:459 ) ) OR ( CHAIN F AND ( RESID 5:285 OR RESID 301:303 OR RESID 304:304 OR RESID 401:456 ) )F401 - 456

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