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- PDB-6u74: BRD4-BD1 in complex with the cyclic peptide 3.1_2 -

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Basic information

Entry
Database: PDB / ID: 6u74
TitleBRD4-BD1 in complex with the cyclic peptide 3.1_2
Components
  • Bromodomain-containing protein 4
  • cyclic peptide 3.1_2
KeywordsTRANSCRIPTION/INHIBITOR / BET / bromodomain / macrocyclic peptide / BRD4 / inhibitor / RaPID / TRANSCRIPTION-INHIBITOR complex
Function / homology
Function and homology information


RNA polymerase II C-terminal domain binding / negative regulation of DNA damage checkpoint / P-TEFb complex binding / negative regulation by host of viral transcription / positive regulation of T-helper 17 cell lineage commitment / positive regulation of G2/M transition of mitotic cell cycle / histone reader activity / RNA polymerase II CTD heptapeptide repeat kinase activity / condensed nuclear chromosome / positive regulation of transcription elongation by RNA polymerase II ...RNA polymerase II C-terminal domain binding / negative regulation of DNA damage checkpoint / P-TEFb complex binding / negative regulation by host of viral transcription / positive regulation of T-helper 17 cell lineage commitment / positive regulation of G2/M transition of mitotic cell cycle / histone reader activity / RNA polymerase II CTD heptapeptide repeat kinase activity / condensed nuclear chromosome / positive regulation of transcription elongation by RNA polymerase II / transcription coregulator activity / lysine-acetylated histone binding / p53 binding / chromosome / regulation of inflammatory response / positive regulation of canonical NF-kappaB signal transduction / Potential therapeutics for SARS / transcription coactivator activity / transcription cis-regulatory region binding / chromatin remodeling / DNA damage response / chromatin binding / chromatin / regulation of transcription by RNA polymerase II / positive regulation of DNA-templated transcription / enzyme binding / positive regulation of transcription by RNA polymerase II / nucleoplasm / nucleus
Similarity search - Function
Bromodomain protein 4, C-terminal / C-terminal domain of bromodomain protein 4 / NET domain superfamily / NET domain profile. / Brdt, bromodomain, repeat II / Brdt, bromodomain, repeat I / NET domain / Bromodomain extra-terminal - transcription regulation / Bromodomain, conserved site / Bromodomain signature. ...Bromodomain protein 4, C-terminal / C-terminal domain of bromodomain protein 4 / NET domain superfamily / NET domain profile. / Brdt, bromodomain, repeat II / Brdt, bromodomain, repeat I / 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 4
Similarity search - Component
Biological speciesHomo sapiens (human)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.85 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
DepositionAug 31, 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: Advisory / Data collection ...Advisory / 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 / pdbx_unobs_or_zero_occ_atoms / 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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Bromodomain-containing protein 4
B: Bromodomain-containing protein 4
C: Bromodomain-containing protein 4
D: Bromodomain-containing protein 4
E: cyclic peptide 3.1_2
F: cyclic peptide 3.1_2


Theoretical massNumber of molelcules
Total (without water)72,6356
Polymers72,6356
Non-polymers00
Water8,233457
1
A: Bromodomain-containing protein 4
E: cyclic peptide 3.1_2

C: Bromodomain-containing protein 4


Theoretical massNumber of molelcules
Total (without water)36,3183
Polymers36,3183
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_645-x+1,y-1/2,-z1
Buried area2910 Å2
ΔGint-20 kcal/mol
Surface area13910 Å2
MethodPISA
2
D: Bromodomain-containing protein 4
F: cyclic peptide 3.1_2

B: Bromodomain-containing protein 4


Theoretical massNumber of molelcules
Total (without water)36,3183
Polymers36,3183
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_646-x+1,y-1/2,-z+11
Buried area2890 Å2
ΔGint-20 kcal/mol
Surface area13730 Å2
MethodPISA
Unit cell
Length a, b, c (Å)58.680, 49.227, 115.938
Angle α, β, γ (deg.)90.000, 102.579, 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
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
12
22
13
23

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
111SERSERPHEPHE(chain 'A' and (resid 41 through 133 or resid 135 through 166))AA41 - 1336 - 98
121ASNASNTHRTHR(chain 'A' and (resid 41 through 133 or resid 135 through 166))AA135 - 166100 - 131
211SERSERPHEPHE(chain 'B' and (resid 41 through 133 or resid 135 through 166))BB41 - 1336 - 98
221ASNASNTHRTHR(chain 'B' and (resid 41 through 133 or resid 135 through 166))BB135 - 166100 - 131
112ASNASNLEULEU(chain 'C' and (resid 61 through 63 or resid 65...CC61 - 6326 - 28
122TYRTYRTYRTYR(chain 'C' and (resid 61 through 63 or resid 65...CC65 - 11930 - 84
132ASNASNGLUGLU(chain 'C' and (resid 61 through 63 or resid 65...CC121 - 15486 - 119
142LEULEUPROPRO(chain 'C' and (resid 61 through 63 or resid 65...CC156 - 165121 - 130
212ASNASNLEULEU(chain 'D' and (resid 61 through 63 or resid 65...DD61 - 6326 - 28
222TYRTYRTYRTYR(chain 'D' and (resid 61 through 63 or resid 65...DD65 - 11930 - 84
232ASNASNGLUGLU(chain 'D' and (resid 61 through 63 or resid 65...DD121 - 15486 - 119
242LEULEUPROPRO(chain 'D' and (resid 61 through 63 or resid 65...DD156 - 165121 - 130
113TRPTRPALYALYchain 'E'EE1 - 52 - 6
123ALYALYCYSCYSchain 'E'EE7 - 148 - 15
213TRPTRPALYALYchain 'F'FF1 - 52 - 6
223ALYALYCYSCYSchain 'F'FF7 - 148 - 15

NCS ensembles :
ID
1
2
3

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Components

#1: Protein
Bromodomain-containing protein 4 / Protein HUNK1


Mass: 17200.648 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: BRD4, HUNK1 / Production host: Escherichia coli (E. coli) / References: UniProt: O60885
#2: Protein/peptide cyclic peptide 3.1_2


Mass: 1916.273 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 457 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY

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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: 2.77 Å3/Da / Density % sol: 55.54 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop
Details: 0.2 M Sodium malonate dibasic monohydrate, 0.1 M Bis-Tris propane 7.5, 20 % w/v PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX1 / Wavelength: 0.9537 Å
DetectorType: ADSC QUANTUM 210r / Detector: CCD / Date: Mar 22, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9537 Å / Relative weight: 1
ReflectionResolution: 1.85→47.13 Å / Num. obs: 55604 / % possible obs: 100 % / Redundancy: 7.4 % / Biso Wilson estimate: 10.29 Å2 / CC1/2: 0.977 / Net I/σ(I): 4.5
Reflection shellResolution: 1.85→1.89 Å / Num. unique obs: 3437 / CC1/2: 0.628

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Processing

Software
NameVersionClassification
PHENIX1.14_3260refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4LYI

4lyi


Resolution: 1.85→45.51 Å / SU ML: 0.3157 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 34.2069
RfactorNum. reflection% reflection
Rfree0.3234 2774 5.08 %
Rwork0.2841 --
obs0.2861 54657 98.32 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 27.31 Å2
Refinement stepCycle: LAST / Resolution: 1.85→45.51 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4162 0 0 457 4619
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00224286
X-RAY DIFFRACTIONf_angle_d0.56975818
X-RAY DIFFRACTIONf_chiral_restr0.0365620
X-RAY DIFFRACTIONf_plane_restr0.0028739
X-RAY DIFFRACTIONf_dihedral_angle_d10.57452594
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.85-1.880.47031590.47412597X-RAY DIFFRACTION99.39
1.88-1.920.60681210.51612333X-RAY DIFFRACTION89.56
1.92-1.950.56361330.48352427X-RAY DIFFRACTION92.85
1.95-1.990.4121330.35582603X-RAY DIFFRACTION100
1.99-2.040.35641190.33372651X-RAY DIFFRACTION99.71
2.04-2.080.62581160.49132425X-RAY DIFFRACTION92.03
2.08-2.140.48511330.3872519X-RAY DIFFRACTION95.95
2.14-2.190.32471490.28092621X-RAY DIFFRACTION99.93
2.19-2.260.50171450.41562578X-RAY DIFFRACTION98.27
2.26-2.330.37341380.30882626X-RAY DIFFRACTION99.64
2.33-2.410.33131440.26272592X-RAY DIFFRACTION99.89
2.41-2.510.30881420.25762615X-RAY DIFFRACTION100
2.51-2.620.33441300.24852658X-RAY DIFFRACTION99.96
2.62-2.760.34391230.25912667X-RAY DIFFRACTION99.96
2.76-2.940.27291350.23952652X-RAY DIFFRACTION100
2.94-3.160.22431340.2342615X-RAY DIFFRACTION99.89
3.16-3.480.27651520.22662673X-RAY DIFFRACTION99.93
3.48-3.980.21061350.20392649X-RAY DIFFRACTION99.89
3.98-5.020.18881850.17452637X-RAY DIFFRACTION99.93
5.02-45.510.19671480.18072745X-RAY DIFFRACTION99.38
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
14.848486039583.059992001183.287893488958.533287565495.063233609798.20886555381-0.0948212287192-0.0447229710248-0.00746009634096-0.1232257742070.35827832645-0.196955456533-0.3151436669980.170569369626-0.2281571367460.2773621862910.0796248987268-0.1264420114950.3478495592890.01943297029830.2895468703984.9349103717212.35100795776.06504383735
27.661751797714.918184335996.835735111973.247952002854.500380611186.237793240720.1186059526560.273578992824-0.11134308526-0.144181887532-0.07295073557530.13364658823-0.0233078882191-0.308328525265-0.02646967347870.3604664724860.0174596950354-0.2107509010090.4552971246230.07571560311960.393569668745-7.54924883172-1.399640965982.23666483814
32.55408480680.6970086541013.707087751221.145676136411.272753428415.530847392430.292410182306-0.627516876596-0.4821037298620.3272718066740.06276754516840.06627162117710.2605903882-0.468972303488-0.3217143155250.410928794774-0.0908968366031-0.1368346292980.477349216250.1012325771610.3203920730431.93060542368-12.754773550912.2807793975
40.5571984544540.3605914925540.09593500899690.941182735445-0.09502887383751.47221265369-0.16540283379-0.1695952345150.280781784090.164949479086-0.0396214350812-0.169191661878-0.212508207580.1180275073410.180589346890.345265826565-0.022692175996-0.1778925363260.4244309229250.00107171835090.28457211252414.24079399895.9715968373614.0226542319
54.42475841043.02812630575-1.000577624073.29947156122-0.8624496303661.45845464688-0.00995951487444-0.1278105574210.2637997727650.13834932569-0.08320237007970.0217123141782-0.09095931759560.05445610044870.07764652565150.2857733966710.0208851883542-0.1439955638640.340419260188-0.02560233758070.2692831479516.890228899461.739446000826.69508719181
60.9554064571790.5656198208660.8966074762641.661202386381.393126165521.834750341150.0525915342438-0.2280279403750.0428073638290.119760273726-0.116859333235-0.06663995863240.0082364673119-0.2802656431610.1082906023240.3107385620570.0135622752782-0.1770049476340.36102739018-0.008025810407590.276769710632-3.1086847165-9.606082681794.57515623127
70.1163115421780.0784352926297-0.03915285853470.218127380344-0.1253889793420.1115017567420.0194330534666-0.00470933015762-0.0324121072297-0.00793809281592-0.00373001063797-0.0007320960134460.06752396642420.014244727403-0.05392472125920.3087852125340.00573715055732-0.1548797142430.3782784499770.02179643256830.20086780266112.289944711-4.751273679133.97437713442
81.784927491290.6058633688220.8177453689740.8091415159420.2366046623950.8644247501440.125978009648-0.0746743276094-0.2344543806410.0414892249114-0.0257470552243-0.05695093695580.1072287143520.00125468059816-0.1131263445560.3285066283280.0338086233667-0.1645522044960.4509434459490.01257861777720.26190252502617.9318999169-9.221473530910.8779520509
90.9364334568940.4960881268360.356420070522.43693865574-0.7639156004961.43589626730.02291935315430.179127357015-0.01001709086560.129230923262-0.0519836510943-0.214274801963-0.07249314492340.1621546976240.03359185557770.0739542856139-0.0203653473158-0.03482021338990.0781239816560.01187652810570.062798556349647.675350410223.768407859252.0779628611
100.594908493609-0.0988158276052-0.1091659675450.790492245570.3469709826530.15978470811-0.001585898498640.1531797089220.0484688391996-0.254191556430.02092235414820.102880670633-0.06778290586480.02367635190930.05827779645830.1866681584580.0105278204606-0.07212409244780.0763179353208-0.01337051398440.089010721307736.115632485820.062439199741.8955206574
110.658505459804-0.3964032348270.06548591727140.638975254841-0.09005014922350.1729201322240.05926077936250.081435433383-0.145757406165-0.156883403947-0.05491801671960.2080983222680.0371245914103-0.0120453044089-0.01545210024520.02401970627890.0205722611442-0.03956407798790.02005077241850.00904995136040.088420985072334.892279616317.657077859649.1806458292
123.87382223166-1.323135867060.1244634053062.51087419981-0.2009739185731.70521550267-0.1468436682040.333193484440.2019882970820.454803007033-0.172431650993-0.74794874687-0.3668904812120.486829093370.3113908718520.3005959671610.0447307669118-0.1426903865040.5992421756890.05997226716250.31538485615850.467181294125.221506859822.4332937205
130.638087232854-0.704728071601-0.0983873101720.896013927652-0.3094813725151.50117451351-0.0466876926392-0.0298967587760.0487064603698-0.0498160542918-0.00143421827370.059260167857-0.124962741611-0.05375360762870.04082878377210.3457907163860.00123229631833-0.1899654186450.4790181724380.05022597403080.29630425706233.542965809429.860998063911.7619163012
141.4402013187-0.6800730151161.993769212531.51954645567-0.46612103214.21332170079-0.172052082108-0.1069765363990.1524241593420.0643028113213-0.0220238120240.0218741964844-0.26701280634-0.2291714588620.1588523746670.260190817055-0.028211202968-0.06277769443130.357047351731-0.004906015128140.11556163297435.812405019823.589845945424.467630634
150.5214156006630.06305991088730.2731372610661.051360273730.3202588035242.007098492920.0156968405259-0.0287949536517-0.0256878593109-0.0253545776597-0.02382233464730.02661680774770.164733809492-0.07712070872-0.05347285741180.282020216233-0.00411080582746-0.05024435757570.3589073561650.01814623388970.097869771583236.290752152517.906993932415.1760820117
164.86968882919-0.8392151814332.908135501092.36811745455-1.052779481623.979423687360.0371209697577-0.075995954085-0.02397956699730.287690401197-0.21362284254-0.4382994674750.3381082933130.666952349355-0.02042919238220.3793620005480.0195229493124-0.1391795285350.492907903102-0.02377708819150.22599250218246.213819358419.201844963811.7932516635
176.008474597341.376218648542.031357138012.93710371335-2.630883182154.34310446192-0.2021400706050.02613554038740.131468546398-0.2211333972550.3973619174230.46872908364-0.0880416476746-0.646690191961-0.1668819314080.4278106425630.176673261781-0.2391689350810.642063515069-0.1872505605390.509180390867-7.16857430716-3.8438912970431.1087917968
183.867876899211.040570786210.06856727664460.2799736752310.01843729254870.001222703765450.1726758723270.362404409763-0.0200782261659-0.297282148905-0.2135613123430.339864019577-0.000922413697341-0.1247252965570.01930972594690.2735196187380.167270816152-0.1152095082880.364840963328-0.1534405738830.323920935902-2.675896577941.1697220474939.4051123126
194.883213554881.93915320885-1.651751633932.06601727196-0.2448760177042.85479050272-0.0347094307454-0.05818363573130.167379406694-0.0973832026768-0.0844674211497-0.235130620844-0.315516595166-0.02856799476820.0779306838570.192447109695-0.0101054826306-0.03428161412750.053346308463-0.01033207281410.18990040915512.33325473763.2969479863144.8967760201
201.120509717650.02752161862060.8714996041181.94607053172-0.409534755772.743687787830.01318883717420.4751805623150.0559508426035-0.560514669353-0.2360355210880.248554189388-0.168927585164-0.06400399333540.1553385016020.2748982319390.0898442797124-0.0855460922550.207693618547-0.03518553246660.2515586500779.48697071805-2.9982226264832.3911761561
210.472780148845-0.348868062786-0.09253186331860.505104185945-0.09333074006450.216415150850.02290389923650.0895086597645-0.0911898533755-0.116312150426-0.08302559453610.1176679047790.0582495390105-0.0472115605675-0.1222860171230.152928140750.0784337924579-0.01186192646320.114649476118-0.0688812719730.1464552839579.40515088871-8.7534843385941.7138202145
221.419543351090.5315825814470.84201863240.977694181085-0.8748207767522.318597580750.01851814569170.258234025304-0.323693686536-0.267478356786-0.02251865560290.3622567566550.229933394951-0.428869243753-0.1227640955730.1129256321060.00619960584752-0.03205092524040.224320546992-0.1307426409460.340769841214-0.293107587454-7.4369580462245.4373299486
230.365825743618-0.0975826620751-1.037790698962.520564113030.3625393138342.948342591780.1312458735890.100935133348-0.105090260326-0.4208835239230.113835471146-0.0521826317303-0.123003571760.108908229847-0.1820680790670.312444957544-0.0541225100841-0.07551246911270.414705329572-0.01024800349370.15751690108624.45568786769.627827676232.25365257192
240.2613298418420.174970926287-0.05166240061690.333686691346-0.02783473537320.1208891270540.0065943849155-0.01331504074990.0073660983984-0.02632765348710.0146683809996-0.0519963876493-0.0400759904450.03647677670570.0178254281340.146453621645-0.114075166164-0.01494630365210.135144413324-0.005351131465590.17287943321211.71947593477.8236372132158.8960442983
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 40 through 49 )
2X-RAY DIFFRACTION2chain 'A' and (resid 50 through 54 )
3X-RAY DIFFRACTION3chain 'A' and (resid 55 through 76 )
4X-RAY DIFFRACTION4chain 'A' and (resid 77 through 96 )
5X-RAY DIFFRACTION5chain 'A' and (resid 97 through 115 )
6X-RAY DIFFRACTION6chain 'A' and (resid 116 through 121 )
7X-RAY DIFFRACTION7chain 'A' and (resid 122 through 139 )
8X-RAY DIFFRACTION8chain 'A' and (resid 140 through 166 )
9X-RAY DIFFRACTION9chain 'B' and (resid 40 through 60 )
10X-RAY DIFFRACTION10chain 'B' and (resid 61 through 96 )
11X-RAY DIFFRACTION11chain 'B' and (resid 97 through 166 )
12X-RAY DIFFRACTION12chain 'C' and (resid 61 through 75 )
13X-RAY DIFFRACTION13chain 'C' and (resid 76 through 96 )
14X-RAY DIFFRACTION14chain 'C' and (resid 97 through 121 )
15X-RAY DIFFRACTION15chain 'C' and (resid 122 through 144 )
16X-RAY DIFFRACTION16chain 'C' and (resid 145 through 165 )
17X-RAY DIFFRACTION17chain 'D' and (resid 61 through 68 )
18X-RAY DIFFRACTION18chain 'D' and (resid 69 through 75 )
19X-RAY DIFFRACTION19chain 'D' and (resid 76 through 96 )
20X-RAY DIFFRACTION20chain 'D' and (resid 97 through 121 )
21X-RAY DIFFRACTION21chain 'D' and (resid 122 through 144 )
22X-RAY DIFFRACTION22chain 'D' and (resid 145 through 165 )
23X-RAY DIFFRACTION23chain 'E' and (resid 1 through 14 )
24X-RAY DIFFRACTION24chain 'F' and (resid 1 through 14 )

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