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- PDB-6ulq: BRD2-BD1 in complex with the cyclic peptide 4.2_3 -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 6ulq
TitleBRD2-BD1 in complex with the cyclic peptide 4.2_3
Components
  • Bromodomain-containing protein 2
  • Cyclic peptide 4.2_3
KeywordsTRANSCRIPTION/INHIBITOR / BET / bromodomain / macrocyclic peptide / BRD2 / inhibitor / RaPID / TRANSCRIPTION-INHIBITOR complex / TRANSCRIPTION
Function / homology
Function and homology information


acetylation-dependent protein binding / chromatin looping / RUNX3 regulates p14-ARF / positive regulation of T-helper 17 cell lineage commitment / protein localization to chromatin / histone reader activity / : / neural tube closure / nucleosome assembly / chromatin organization ...acetylation-dependent protein binding / chromatin looping / RUNX3 regulates p14-ARF / positive regulation of T-helper 17 cell lineage commitment / protein localization to chromatin / histone reader activity / : / neural tube closure / nucleosome assembly / chromatin organization / chromosome / spermatogenesis / histone binding / nuclear speck / chromatin remodeling / protein serine/threonine kinase activity / chromatin binding / regulation of transcription by RNA polymerase II / chromatin / nucleoplasm / nucleus / cytoplasm
Similarity search - Function
Brdt, bromodomain, repeat I / Brdt, bromodomain, repeat II / NET domain superfamily / NET domain profile. / : / NET domain / Bromodomain extra-terminal - transcription regulation / Bromodomain, conserved site / Bromodomain signature. / Bromodomain ...Brdt, bromodomain, repeat I / Brdt, bromodomain, repeat II / NET domain superfamily / NET domain profile. / : / NET domain / Bromodomain extra-terminal - transcription regulation / Bromodomain, conserved site / Bromodomain signature. / Bromodomain / Bromodomain profile. / bromo domain / Bromodomain / Bromodomain-like superfamily
Similarity search - Domain/homology
Bromodomain-containing protein 2 / Bromodomain-containing protein 2
Similarity search - Component
Biological speciesHomo sapiens (human)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.7 Å
AuthorsPatel, K. / Walshe, J.L. / Walport, L.J. / Mackay, J.P.
Funding support Australia, 1items
OrganizationGrant numberCountry
National Health and Medical Research Council (NHMRC, Australia)APP1161623 Australia
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2020
Title: Cyclic peptides can engage a single binding pocket through highly divergent modes.
Authors: Patel, K. / Walport, L.J. / Walshe, J.L. / Solomon, P.D. / Low, J.K.K. / Tran, D.H. / Mouradian, K.S. / Silva, A.P.G. / Wilkinson-White, L. / Norman, A. / Franck, C. / Matthews, J.M. / Guss, ...Authors: Patel, K. / Walport, L.J. / Walshe, J.L. / Solomon, P.D. / Low, J.K.K. / Tran, D.H. / Mouradian, K.S. / Silva, A.P.G. / Wilkinson-White, L. / Norman, A. / Franck, C. / Matthews, J.M. / Guss, J.M. / Payne, R.J. / Passioura, T. / Suga, H. / Mackay, J.P.
History
DepositionOct 8, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 19, 2020Provider: repository / Type: Initial release
Revision 1.1Mar 3, 2021Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Oct 11, 2023Group: Data collection / Database references / 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
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
Revision 1.3Nov 15, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2
Revision 1.4Oct 23, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Bromodomain-containing protein 2
B: Bromodomain-containing protein 2
C: Bromodomain-containing protein 2
D: Cyclic peptide 4.2_3
E: Cyclic peptide 4.2_3
F: Cyclic peptide 4.2_3


Theoretical massNumber of molelcules
Total (without water)54,3096
Polymers54,3096
Non-polymers00
Water64936
1
A: Bromodomain-containing protein 2
D: Cyclic peptide 4.2_3


Theoretical massNumber of molelcules
Total (without water)18,1032
Polymers18,1032
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Bromodomain-containing protein 2
F: Cyclic peptide 4.2_3


Theoretical massNumber of molelcules
Total (without water)18,1032
Polymers18,1032
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Bromodomain-containing protein 2
E: Cyclic peptide 4.2_3


Theoretical massNumber of molelcules
Total (without water)18,1032
Polymers18,1032
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)80.484, 76.142, 109.661
Angle α, β, γ (deg.)90.000, 108.275, 90.000
Int Tables number5
Space group name H-MI121
Space group name HallC2y(x,y,-x+z)
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z+1/2
#4: -x+1/2,y+1/2,-z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
12
22
32

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111PROPROHISHIS(chain 'A' and (resid 72 through 83 or resid 85...AA72 - 8314 - 25
121VALVALMETMET(chain 'A' and (resid 72 through 83 or resid 85...AA85 - 8727 - 29
131ALAALATRPTRP(chain 'A' and (resid 72 through 83 or resid 85...AA89 - 9131 - 33
141HISHISLYSLYS(chain 'A' and (resid 72 through 83 or resid 85...AA93 - 12735 - 69
151ARGARGSERSER(chain 'A' and (resid 72 through 83 or resid 85...AA129 - 13971 - 81
161CYSCYSPHEPHE(chain 'A' and (resid 72 through 83 or resid 85...AA141 - 14983 - 91
171ASNASNVALVAL(chain 'A' and (resid 72 through 83 or resid 85...AA151 - 16393 - 105
181METMETLEULEU(chain 'A' and (resid 72 through 83 or resid 85...AA165 - 174107 - 116
191LYSLYSGLUGLU(chain 'A' and (resid 72 through 83 or resid 85...AA176 - 184118 - 126
1101GLUGLULEULEU(chain 'A' and (resid 72 through 83 or resid 85...AA186 - 187128 - 129
211PROPROHISHIS(chain 'B' and (resid 72 through 83 or resid 85...BB72 - 8314 - 25
221VALVALMETMET(chain 'B' and (resid 72 through 83 or resid 85...BB85 - 8727 - 29
231ALAALATRPTRP(chain 'B' and (resid 72 through 83 or resid 85...BB89 - 9131 - 33
241HISHISLYSLYS(chain 'B' and (resid 72 through 83 or resid 85...BB93 - 12735 - 69
251ARGARGSERSER(chain 'B' and (resid 72 through 83 or resid 85...BB129 - 13971 - 81
261CYSCYSPHEPHE(chain 'B' and (resid 72 through 83 or resid 85...BB141 - 14983 - 91
271ASNASNVALVAL(chain 'B' and (resid 72 through 83 or resid 85...BB151 - 16393 - 105
281METMETLEULEU(chain 'B' and (resid 72 through 83 or resid 85...BB165 - 174107 - 116
291LYSLYSGLUGLU(chain 'B' and (resid 72 through 83 or resid 85...BB176 - 184118 - 126
2101GLUGLULEULEU(chain 'B' and (resid 72 through 83 or resid 85...BB186 - 187128 - 129
311PROPROHISHIS(chain 'C' and (resid 72 through 83 or resid 85...CC72 - 8314 - 25
321VALVALMETMET(chain 'C' and (resid 72 through 83 or resid 85...CC85 - 8727 - 29
331ALAALATRPTRP(chain 'C' and (resid 72 through 83 or resid 85...CC89 - 9131 - 33
341HISHISLYSLYS(chain 'C' and (resid 72 through 83 or resid 85...CC93 - 12735 - 69
351ARGARGSERSER(chain 'C' and (resid 72 through 83 or resid 85...CC129 - 13971 - 81
361CYSCYSPHEPHE(chain 'C' and (resid 72 through 83 or resid 85...CC141 - 14983 - 91
371ASNASNVALVAL(chain 'C' and (resid 72 through 83 or resid 85...CC151 - 16393 - 105
381METMETLEULEU(chain 'C' and (resid 72 through 83 or resid 85...CC165 - 174107 - 116
391LYSLYSGLUGLU(chain 'C' and (resid 72 through 83 or resid 85...CC176 - 184118 - 126
3101GLUGLULEULEU(chain 'C' and (resid 72 through 83 or resid 85...CC186 - 187128 - 129
112TRPTRPGLNGLN(chain 'D' and (resid 0 through 12 or resid 14 through 15))DD1 - 122 - 13
122THRTHRTYRTYR(chain 'D' and (resid 0 through 12 or resid 14 through 15))DD14 - 1515 - 16
212TRPTRPGLNGLN(chain 'E' and (resid 0 through 12 or resid 14 through 15))EE1 - 122 - 13
222THRTHRTYRTYR(chain 'E' and (resid 0 through 12 or resid 14 through 15))EE14 - 1515 - 16
312TRPTRPGLNGLN(chain 'F' and (resid 0 through 12 or resid 14 through 15))FF1 - 122 - 13
322THRTHRTYRTYR(chain 'F' and (resid 0 through 12 or resid 14 through 15))FF14 - 1515 - 16

NCS ensembles :
ID
1
2

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Components

#1: Protein Bromodomain-containing protein 2


Mass: 15893.472 Da / Num. of mol.: 3 / Fragment: first bromodomain
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: BRD2 / Production host: Escherichia coli (E. coli) / References: UniProt: H0Y6K2, UniProt: P25440*PLUS
#2: Protein/peptide Cyclic peptide 4.2_3


Mass: 2209.620 Da / Num. of mol.: 3 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 36 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY
Has protein modificationY

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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: 2.94 Å3/Da / Density % sol: 58.13 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop / Details: 0.1 M SPG 6.0, 25 % w/v PEG 1500

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9537 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Sep 22, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9537 Å / Relative weight: 1
ReflectionResolution: 2.69→42.45 Å / Num. obs: 17457 / % possible obs: 99.6 % / Redundancy: 6.7 % / Biso Wilson estimate: 33.23 Å2 / CC1/2: 0.981 / Net I/σ(I): 9.5
Reflection shellResolution: 2.69→2.83 Å / Num. unique obs: 2268 / CC1/2: 0.57

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Processing

Software
NameVersionClassification
PHENIX1.14_3260refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3ONI

3oni


Resolution: 2.7→42.45 Å / SU ML: 0.2106 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 25.3605
RfactorNum. reflection% reflection
Rfree0.2516 919 5.28 %
Rwork0.2215 --
obs0.2231 17421 99.5 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 37.41 Å2
Refinement stepCycle: LAST / Resolution: 2.7→42.45 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3522 0 0 36 3558
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00163656
X-RAY DIFFRACTIONf_angle_d0.57144941
X-RAY DIFFRACTIONf_chiral_restr0.0369522
X-RAY DIFFRACTIONf_plane_restr0.0039624
X-RAY DIFFRACTIONf_dihedral_angle_d10.61192220
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.7-2.840.28061310.25182303X-RAY DIFFRACTION97.79
2.84-3.020.28071330.24912335X-RAY DIFFRACTION99.8
3.02-3.250.25381420.2362342X-RAY DIFFRACTION99.64
3.25-3.580.28191300.24212344X-RAY DIFFRACTION99.68
3.58-4.090.23981370.20792362X-RAY DIFFRACTION99.96
4.09-5.150.20111270.19792371X-RAY DIFFRACTION99.92
5.15-42.450.281190.21532445X-RAY DIFFRACTION99.69
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)
16.25722411277-1.58392267708-1.185326802426.42994228178-5.768427098768.806829308510.1951740397870.02759197950841.338083807860.402381772309-0.0995358834842-0.248531822121-1.38081354882-0.0683808560949-0.1323216360080.3724317455010.06819069016370.09655234078260.2743119862760.07040181157210.40270086068739.1029335406-2.636823450831.5927645225
22.001285745711.24869453722-6.255197321343.806746489860.2398535902723.938268731330.56104157570.2055881054190.5199199733850.0511252397233-0.2912124562210.189797865449-0.8758135713720.101665078485-0.2153491535560.2916346218130.00343212715608-0.01371163181270.4715096942640.1246526471590.46346909883546.7472006685-3.9133660184625.4087617513
33.987989357721.90283480487-4.143589149881.78214631477-0.83308262465.59961391733-0.1876142434310.5427619185560.195670044176-0.660917066654-0.4977997854330.07642674784720.4043161413390.09396016355680.538399933590.2511630039520.08742467551180.04232867326380.2884529636090.06867715034780.26330735816337.8153934168-15.72967245432.5412697156
43.071874786611.548405208770.7208421779033.56078989932.218981418891.40537667950.000791652336532-0.2509302261-0.1913578343920.366739138998-0.19035522329-0.08804766779370.229458175432-0.093722124432-0.07983631772290.2710612764260.05957711200510.08342604390020.3690709556810.255901807198-0.14807404529227.1484275458-23.231778867942.595787376
51.114732451570.0755820389224-1.494914036071.032007006690.5548528645362.46091956113-0.2401638838350.3268527738790.488363828329-0.3247726755780.07420653019250.161654681384-0.369914947727-0.14784516570.1201023937690.2028016345690.0921412419762-0.06719704948840.453477614030.1223309719820.193494619627.255902871-15.236622436229.0088391723
67.25993262924.66277253588-7.342869229759.11211263776-7.131585985668.66979604817-0.0473909615190.4662208425870.220219380283-0.614566336096-0.137113413502-0.5191262071660.05070571084440.8825361641780.3369252781040.540914616285-0.0191079617387-0.003950098634371.149459267560.4195635982560.077761098899442.0469001559-6.8100194021112.9375990931
79.216597039830.2996575572331.247381588395.13298275551.384809304284.071392518940.461254723645-0.810423650814-0.9484560654410.4025100982030.00342105813434-0.3472774277380.2892930623030.175577915339-0.2139090324020.204254042952-0.06621101663350.1015027385160.3695857176330.0529646914910.20697347951410.95987264383.6786289270112.8288252229
88.91541100338-0.1680393801782.905186849876.599348019521.413884646097.60800567478-0.1382930149770.05164684942211.090790560680.09004293063850.216018743871-0.262123924873-1.1487113426-0.14214906136-0.07113627020340.2466684672650.01159403513910.08479906467470.3020004537390.0551518327010.48435041503925.6708100102-9.6175631268548.2316269643
92.734936391171.105980166261.740435654737.350796296560.3257739624568.60016446291-0.1660328711921.169872509810.0543322332954-0.780129251808-0.1533109934790.5042421942340.564705921553-0.4107081895820.1806350289820.2107695207760.0139567024462-0.01623576419640.47429764973-0.07458458160490.217522245920.51201851937.936458823437.4538299224
107.797110106751.37055066806-3.92514607347.33911849682-0.5767069916161.97879938191-0.374732237204-0.248438976513-0.996335405770.05520415421630.131384900522-0.336158440130.5019954230690.1414833469110.1541297411910.359933845652-0.0293602002518-0.006490041874530.3947796904880.01040518301840.52649043909143.08148649716.608290029996.847518129
114.364391676850.8411410810420.6639908087711.092527894810.2339136149030.7937404391980.0581486070628-0.4231730261980.06249872480.1875681405360.0279999466563-0.183014731726-0.02106972923050.195343669587-0.07149064305560.194775941669-0.00821556002894-0.06765118107260.252636008357-0.02630045580840.23560400143727.622340149410.30514563159.44212694541
126.782821729820.1551380563411.803704615080.525005573236-0.02495108348371.421398159320.0271347709044-0.5059117748040.7449528110970.12319032551-0.0126711255338-0.200258102584-0.02882716139160.02639303106950.03727362597330.2012417262260.003396175075710.01301449810430.213875076359-0.1279426938250.29200370984727.590731957119.918416943811.5620292566
134.367947132691.88765841186-0.06250891896111.45284991401-1.70756685834.55662500214-0.1839540631070.9864469142620.962957562898-0.8784661106570.3484689413280.540645948773-0.727851689224-0.19933475430.2400332579260.489695939287-0.049865573672-0.1237953305080.5980899783330.1160024853770.48908655456547.175130769130.651614045919.6171417508
142.2931537280.630722074594-0.5483835880390.1718391650310.04243121032351.4458641589-0.2599222522310.156913630042-0.59554911054-0.199797790230.05159525002920.03544710405380.362038628944-0.2459490330780.2345790269250.265018502692-0.04926411034010.01120923185550.255653844657-0.07420052520180.31392707504834.07722226827.566811731733.8716443703
152.95396928357-0.843713133006-1.273160140888.592892349063.479350667841.717006407310.03062998270690.4036356981-0.593069903662-0.303719767005-0.0350705085830.0126173564718-0.0788203745042-0.2162950530370.0805187239440.217367994041-0.0344321467261-0.04330936602410.400124746056-0.01860852143870.11401476308237.599002610135.173815316730.7928218582
162.73746665798-0.726198670286-2.944769975581.548686798510.9757951087133.11590683481-0.2745582806270.0595447678354-0.5202423518620.213744767380.0944119506739-0.2481850218180.4532827285410.158993707930.1585961226520.2073544303020.0154195840936-0.05668372077470.25342165067-0.07393060384260.27832675753441.050847317727.916015593838.1795416897
178.59010007502-0.5934142822340.943553035982.39395919739-0.209815602631.17162697041-0.4663838619780.2955672104380.46035172160.1270820167050.29883658678-0.460063842202-0.413793238501-0.5630099275930.142314356840.4369774441660.1476525981880.05688368284090.580464703380.3077795725440.53845422679241.524882818-3.6580408229920.431516223
181.044825899280.304553460039-0.07587343561920.8675338448051.979926406865.15365692973-0.04512101775750.342930038820.426821914254-0.0394606969596-0.06906975822260.0472118034386-0.418736026971-0.2676706198220.1626572193960.2606968363180.2703560449310.07166347608760.6913023776280.5560019151120.59842622193929.936883366-4.2041962875827.3089763871
190.7592551874291.36429493758-1.648086515864.17083548977-1.197055035646.989716973160.04709463788430.2042064150970.816036665725-0.05549061655750.0447319962970.496540457965-0.580022088387-0.42965644776-0.1330483067510.1792696007380.05778610597060.05163204098260.2789404886010.06221720475020.51670907510725.3426305575-7.5726247779236.1380348406
203.014626853051.72017831109-0.3821123226394.76279778878-1.038529328946.476347449230.09088367638860.09717091820980.7971599652380.6171626064370.243610507512-0.0506670946919-0.445261395014-0.263777930051-0.1946586094790.201458308544-0.01778075028340.06745462640330.166571677758-0.004126301796810.32164827565935.8509486266-10.145767504547.7868994291
212.238239537620.91737019282-1.404705520278.51701551811-4.134812364934.50445615252-0.05466747383940.2061523232860.409255437330.14509779461-0.176823471675-0.651848146121-0.3681727536720.6089998959650.2147640733840.171571553-0.0547455283856-0.01467491049320.222769386182-0.001908812801030.3693625986641.9665513857-15.26871388842.2170537279
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'C' and (resid 123 through 131 )
2X-RAY DIFFRACTION2chain 'C' and (resid 132 through 137 )
3X-RAY DIFFRACTION3chain 'C' and (resid 138 through 155 )
4X-RAY DIFFRACTION4chain 'C' and (resid 156 through 160 )
5X-RAY DIFFRACTION5chain 'C' and (resid 161 through 179 )
6X-RAY DIFFRACTION6chain 'C' and (resid 180 through 188 )
7X-RAY DIFFRACTION7chain 'D' and (resid 1 through 15 )
8X-RAY DIFFRACTION8chain 'E' and (resid 1 through 15 )
9X-RAY DIFFRACTION9chain 'F' and (resid 1 through 15 )
10X-RAY DIFFRACTION10chain 'A' and (resid 65 through 76 )
11X-RAY DIFFRACTION11chain 'A' and (resid 77 through 155 )
12X-RAY DIFFRACTION12chain 'A' and (resid 156 through 190 )
13X-RAY DIFFRACTION13chain 'B' and (resid 65 through 73 )
14X-RAY DIFFRACTION14chain 'B' and (resid 74 through 112 )
15X-RAY DIFFRACTION15chain 'B' and (resid 113 through 131 )
16X-RAY DIFFRACTION16chain 'B' and (resid 132 through 191 )
17X-RAY DIFFRACTION17chain 'C' and (resid 71 through 84 )
18X-RAY DIFFRACTION18chain 'C' and (resid 85 through 91 )
19X-RAY DIFFRACTION19chain 'C' and (resid 92 through 99 )
20X-RAY DIFFRACTION20chain 'C' and (resid 100 through 112 )
21X-RAY DIFFRACTION21chain 'C' and (resid 113 through 122 )

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