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- PDB-9i7y: Crystal Structure of KRasG13C in Complex with Nucleotide-based Co... -

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Basic information

Entry
Database: PDB / ID: 9i7y
TitleCrystal Structure of KRasG13C in Complex with Nucleotide-based Covalent Inhibitor 7b
ComponentsIsoform 2B of GTPase KRas
KeywordsHYDROLASE / KRas / GTPase / Nucleotide-based Inhibitor / covalent / G13C
Function / homology
Function and homology information


response to mineralocorticoid / GMP binding / forebrain astrocyte development / LRR domain binding / regulation of synaptic transmission, GABAergic / negative regulation of epithelial cell differentiation / response to isolation stress / response to gravity / epithelial tube branching involved in lung morphogenesis / type I pneumocyte differentiation ...response to mineralocorticoid / GMP binding / forebrain astrocyte development / LRR domain binding / regulation of synaptic transmission, GABAergic / negative regulation of epithelial cell differentiation / response to isolation stress / response to gravity / epithelial tube branching involved in lung morphogenesis / type I pneumocyte differentiation / Rac protein signal transduction / positive regulation of Rac protein signal transduction / Signaling by RAS GAP mutants / Signaling by RAS GTPase mutants / Activation of RAS in B cells / myoblast proliferation / skeletal muscle cell differentiation / RAS signaling downstream of NF1 loss-of-function variants / RUNX3 regulates p14-ARF / positive regulation of glial cell proliferation / SOS-mediated signalling / Activated NTRK3 signals through RAS / Activated NTRK2 signals through RAS / SHC1 events in ERBB4 signaling / cardiac muscle cell proliferation / Signalling to RAS / Activated NTRK2 signals through FRS2 and FRS3 / SHC-related events triggered by IGF1R / Estrogen-stimulated signaling through PRKCZ / glial cell proliferation / SHC-mediated cascade:FGFR3 / MET activates RAS signaling / SHC-mediated cascade:FGFR2 / PTK6 Regulates RHO GTPases, RAS GTPase and MAP kinases / Signaling by PDGFRA transmembrane, juxtamembrane and kinase domain mutants / Signaling by PDGFRA extracellular domain mutants / SHC-mediated cascade:FGFR4 / Erythropoietin activates RAS / SHC-mediated cascade:FGFR1 / Signaling by FGFR4 in disease / FRS-mediated FGFR3 signaling / Signaling by CSF3 (G-CSF) / Signaling by FLT3 ITD and TKD mutants / FRS-mediated FGFR2 signaling / FRS-mediated FGFR4 signaling / FRS-mediated FGFR1 signaling / p38MAPK events / Signaling by FGFR3 in disease / protein-membrane adaptor activity / Tie2 Signaling / striated muscle cell differentiation / Signaling by FGFR2 in disease / GRB2 events in EGFR signaling / Signaling by FLT3 fusion proteins / SHC1 events in EGFR signaling / FLT3 Signaling / Signaling by FGFR1 in disease / EGFR Transactivation by Gastrin / NCAM signaling for neurite out-growth / CD209 (DC-SIGN) signaling / homeostasis of number of cells within a tissue / Downstream signal transduction / GRB2 events in ERBB2 signaling / Insulin receptor signalling cascade / Ras activation upon Ca2+ influx through NMDA receptor / SHC1 events in ERBB2 signaling / response to glucocorticoid / Constitutive Signaling by Overexpressed ERBB2 / Signaling by phosphorylated juxtamembrane, extracellular and kinase domain KIT mutants / VEGFR2 mediated cell proliferation / small monomeric GTPase / FCERI mediated MAPK activation / liver development / female pregnancy / RAF activation / Signaling by ERBB2 TMD/JMD mutants / Signaling by SCF-KIT / Constitutive Signaling by EGFRvIII / Signaling by high-kinase activity BRAF mutants / regulation of long-term neuronal synaptic plasticity / MAP2K and MAPK activation / Signaling by ERBB2 ECD mutants / visual learning / Signaling by ERBB2 KD Mutants / cytoplasmic side of plasma membrane / cytokine-mediated signaling pathway / Regulation of RAS by GAPs / Signaling by CSF1 (M-CSF) in myeloid cells / RAS processing / Negative regulation of MAPK pathway / Signaling by RAF1 mutants / Signaling by moderate kinase activity BRAF mutants / Paradoxical activation of RAF signaling by kinase inactive BRAF / Signaling downstream of RAS mutants / GDP binding / Signaling by BRAF and RAF1 fusions / positive regulation of cellular senescence / DAP12 signaling / MAPK cascade / Constitutive Signaling by Ligand-Responsive EGFR Cancer Variants
Similarity search - Function
Small GTPase, Ras-type / Small GTPase Ras domain profile. / Ran (Ras-related nuclear proteins) /TC4 subfamily of small GTPases / Rho (Ras homology) subfamily of Ras-like small GTPases / Ras subfamily of RAS small GTPases / Small GTPase / Ras family / Rab subfamily of small GTPases / Small GTP-binding protein domain / P-loop containing nucleoside triphosphate hydrolase
Similarity search - Domain/homology
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.85 Å
AuthorsNiggenaber, J. / Mueller, M.P. / Rauh, D.
Funding support Germany, European Union, 5items
OrganizationGrant numberCountry
German Federal Ministry for Education and Research01ZX2201B Germany
European Regional Development FundEFRE-800400European Union
Other governmentNW21-062C
Other privateEx-2021-0033
German Research Foundation (DFG) Germany
CitationJournal: Sci Rep / Year: 2025
Title: Targeting KRAS G13C with cyclic linker based inhibitors to explore warhead orientation.
Authors: Kirschner, T. / Rodriguez, J. / Moreira, E.G. / Niggenaber, J. / Warmuth, J.D. / Verli, H. / Muller, M.P. / Rauh, D.
History
DepositionFeb 3, 2025Deposition site: PDBE / Processing site: PDBE
Revision 1.0Nov 12, 2025Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Isoform 2B of GTPase KRas
B: Isoform 2B of GTPase KRas
C: Isoform 2B of GTPase KRas
hetero molecules


Theoretical massNumber of molelcules
Total (without water)60,4229
Polymers58,4733
Non-polymers1,9496
Water2,306128
1
A: Isoform 2B of GTPase KRas
hetero molecules


Theoretical massNumber of molelcules
Total (without water)20,1413
Polymers19,4911
Non-polymers6502
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Isoform 2B of GTPase KRas
hetero molecules


Theoretical massNumber of molelcules
Total (without water)20,1413
Polymers19,4911
Non-polymers6502
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Isoform 2B of GTPase KRas
hetero molecules


Theoretical massNumber of molelcules
Total (without water)20,1413
Polymers19,4911
Non-polymers6502
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)70.010, 84.760, 88.770
Angle α, β, γ (deg.)90.000, 113.254, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and ((resid 2 through 3 and (name N...
d_2ens_1(chain "B" and ((resid 2 through 3 and (name N...
d_3ens_1(chain "C" and ((resid 2 through 3 and (name N...

NCS domain segments:

Ens-ID: ens_1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11THRTHRPHEPHEAA2 - 284 - 30
d_12ASPASPALAALAAA38 - 5940 - 61
d_13ASPASPTYRTYRAA69 - 9671 - 98
d_14GLUGLUPROPROAA98 - 121100 - 123
d_15ARGARGGLUGLUAA123 - 168125 - 170
d_16A1I08A1I08A1I08A1I08AD201
d_21THRTHRPHEPHEBB2 - 284 - 30
d_22ASPASPALAALABB38 - 5940 - 61
d_23ASPASPTYRTYRBB69 - 9671 - 98
d_24GLUGLUPROPROBB98 - 121100 - 123
d_25ARGARGGLUGLUBB123 - 168125 - 170
d_26A1I08A1I08A1I08A1I08BF301
d_31THRTHRTYRTYRCC2 - 964 - 98
d_32GLUGLUPROPROCC98 - 121100 - 123
d_33ARGARGGLUGLUCC123 - 168125 - 170
d_34A1I08A1I08A1I08A1I08CH201

NCS oper:
IDCodeMatrixVector
1given(-0.249159185567, 0.612890082351, -0.74985695116), (0.636997408394, -0.479506090222, -0.603579498607), (-0.729488863483, -0.628044310853, -0.270936047174)41.539369054, -19.4094339971, 39.9251689198
2given(-0.274308507511, -0.555804730072, -0.784752154974), (-0.62713841256, -0.515245339705, 0.5841400957), (-0.729007718889, 0.652382818552, -0.207230315974)20.8652308603, -82.0215201866, 99.7004913194

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Components

#1: Protein Isoform 2B of GTPase KRas / K-Ras 2 / Ki-Ras / c-K-ras / c-Ki-ras


Mass: 19490.934 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: KRAS, KRAS2, RASK2 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P01116, small monomeric GTPase
#2: Chemical ChemComp-A1I08 / [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] (3~{S})-3-(propanoylamino)piperidine-1-carboxylate


Mass: 625.420 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C19H29N7O13P2 / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Mg
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 128 / 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: 2.07 Å3/Da / Density % sol: 40.56 %
Crystal growTemperature: 291 K / Method: vapor diffusion
Details: 30 % PEG4000, 100 mM NaAc pH 9.0, 200 mM Tris pH 9.0 followed by shrinking of the crystal in new drop with crytallization condition, SEC buffer and 20 % glycerol for 24 h.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID30B / Wavelength: 0.87313 Å
DetectorType: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Jul 4, 2024
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.87313 Å / Relative weight: 1
ReflectionResolution: 1.85→50 Å / Num. obs: 40664 / % possible obs: 99.8 % / Redundancy: 6.86 % / Biso Wilson estimate: 44.78 Å2 / CC1/2: 0.999 / Rrim(I) all: 0.046 / Net I/σ(I): 18.37
Reflection shellResolution: 1.85→1.9 Å / Redundancy: 6.43 % / Mean I/σ(I) obs: 1.37 / Num. unique obs: 3102 / CC1/2: 0.618 / Rrim(I) all: 1.269 / % possible all: 99.7

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Processing

Software
NameVersionClassification
PHENIX1.21.1_5286refinement
PDB_EXTRACTdata extraction
XDSdata reduction
XSCALEdata scaling
PHASERphasing
PHENIX1.21.1-5286refinement
Cootmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.85→42.38 Å / SU ML: 0.3375 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 25.6317
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2278 2034 5 %
Rwork0.1898 38617 -
obs0.1917 40651 99.93 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 59.43 Å2
Refinement stepCycle: LAST / Resolution: 1.85→42.38 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3625 0 126 128 3879
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0113823
X-RAY DIFFRACTIONf_angle_d1.24945198
X-RAY DIFFRACTIONf_chiral_restr0.0793604
X-RAY DIFFRACTIONf_plane_restr0.0084655
X-RAY DIFFRACTIONf_dihedral_angle_d14.79331363
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS0.453011003151
ens_1d_3AAX-RAY DIFFRACTIONTorsion NCS0.651700199034
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.85-1.890.54511370.55792585X-RAY DIFFRACTION99.82
1.89-1.940.44971320.39712515X-RAY DIFFRACTION100
1.94-1.990.35111360.30882580X-RAY DIFFRACTION99.89
1.99-2.050.3331350.25092558X-RAY DIFFRACTION99.89
2.05-2.120.29441360.23382579X-RAY DIFFRACTION99.96
2.12-2.190.24651350.22922573X-RAY DIFFRACTION99.96
2.19-2.280.27661340.23622554X-RAY DIFFRACTION99.96
2.28-2.380.25441350.21852566X-RAY DIFFRACTION100
2.39-2.510.2451360.20482572X-RAY DIFFRACTION100
2.51-2.670.26681350.2012562X-RAY DIFFRACTION100
2.67-2.870.24551360.20582590X-RAY DIFFRACTION100
2.87-3.160.24461350.18882575X-RAY DIFFRACTION99.96
3.16-3.620.22591360.17812572X-RAY DIFFRACTION99.78
3.62-4.560.18541370.14842605X-RAY DIFFRACTION99.96
4.56-42.380.19411390.17482631X-RAY DIFFRACTION99.78
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)
16.58843095059-1.87332027189-3.50760198357.890728354281.97951508586.718747223160.2182440051560.3885467950860.109163463876-0.120334175584-0.355879552540.529468031712-0.532591065041-0.564827287660.1841924235840.2749608341310.076910753589-0.05632538750220.347585111788-0.03014410331180.260233759328-12.5117087371-29.776694674328.2004025337
28.00666384874-5.42498862298-4.837337301134.580263402954.682046225275.14826121819-0.902967011229-0.227834692732-1.32443056716-1.15196378109-0.3811511873981.85861918832-1.6016277571-0.9028437270111.317026242320.870028415783-0.0267181074613-0.1270079273260.79980656125-0.05539631237480.954080629405-18.4531149996-38.66369508625.9745887436
33.15118343016-2.36985254976-4.073557595876.250133773135.083079258487.1566735417-0.06066090050540.378659743709-0.332071069637-0.0878514585489-0.3812622802310.39130314901-0.333551860762-0.2476899037440.4878210419320.5672633352190.193365196344-0.0447963785230.5329636102810.0216488893520.355780918491-15.3712306379-22.622790983831.7112371453
40.494831630107-0.05741080238420.6140572152152.72906106678-2.729532336143.217378358050.05650545280710.0466017292820.445046755964-1.14921453814-0.03042798146830.458564371527-0.568913073736-0.813412690063-0.004758283937811.025022217150.2439477422280.1292140092340.5774136486130.09375574761740.629758932411-10.6077003599-22.820512652217.2464366489
54.38538410189-3.84011248377-1.065006396626.748485811282.003130598674.510482927710.3251855313070.492570967270.323101601831-0.957655041274-0.256527400052-0.792129169531-0.727343324973-0.057214925943-0.001808008145980.40368322780.0454595434980.04824307770290.3275421846950.03072025984140.351345302997-0.138431546377-33.4209758320.4182521911
66.355521604670.0706511972829-3.108888362224.065113943811.861939845667.25440720592-0.107703846726-0.143365695133-0.0320069205960.4658262058780.178921683265-0.389767835373-0.127346235480.3377366505240.02893424071020.2586795767530.066232735022-0.001668886630140.3139171379140.01192238410970.34702200554-0.260102473142-36.251717230928.2248658491
75.26418387619-0.823529719566-2.419144665676.736694897953.049962655956.146444633260.0426740274329-0.3329716167180.2148730757940.2122877409890.255733888666-0.779049153853-0.4855188709420.478769921625-0.291087439990.3755962976330.0285624589606-0.09061525992060.36871998649-0.03243512876280.345719555912-1.08011136722-29.367448453332.9024734745
85.86663483336-2.66532827189-3.043993192248.864481447232.658161484643.13662108999-0.481964374279-0.29957721005-1.023999320280.4933123551670.151554749487-0.3542111908151.028711051680.5125725777920.3764041023150.4644684007290.04334129106640.03540249507530.4362506718720.03326973050580.6010545529314.85579572695-29.200117474760.7796410227
94.088732701474.634461788310.5175814416545.190006914090.8076992080185.438691080360.825885593283-1.87685551946-1.656926995171.39305012681-0.268183336251-1.267615235441.46615112311.48380354546-0.434936693851.031003698330.0186486339911-0.06890940204761.115479000450.1126515515330.8876702577162.95073328734-28.130589258970.7479529809
106.23261171311.266824804422.805521805136.040800454824.380915874813.83855171752-0.138313178901-0.0220035508529-1.583244538690.9768054813210.645020719343-0.6417918417651.856649808760.819531731214-0.4376104888230.9359512414450.1172890476420.263376719530.5005137092640.03403926901660.9905696063297.90604878896-37.194529724557.1380458807
115.167420059464.449514823915.860465994143.899762628645.155644689246.746382192760.6365425472630.404949450126-1.711170491510.09774731069510.134870146412-1.873291892040.668752563082-0.00075313236048-0.8951865811940.606829283570.06387565545420.08738934540310.899600312468-0.01206620841311.1062567056217.6230534935-25.188123094359.2366691229
125.62949904584-2.54063863289-3.544785476676.566516877672.171775502259.01335300505-0.05726395790640.07634125482240.00625232428583-0.347514264220.010781936155-0.641390188392-0.1884999547960.4781033814140.09853771014050.296974768231-0.09415813686510.03734757932550.353144624852-0.03200726799810.4140999882693.13638048653-17.713269587854.9888803494
133.32589739903-0.16171927428-1.485487778722.581042640490.2434282117418.48714464207-0.4562520662460.480287438337-0.72766145832-0.3598961204980.157722146929-0.09812317880.661710913027-0.4838873206650.2982117488540.47187723669-0.109060038470.1040064863170.433936697859-0.1468398940870.51825949229-0.902631475885-25.573283075650.0644472143
142.17656537144-1.20441286052-1.35573212343.20398901355-0.507454584875.339328147390.117395690059-1.827550910431.261628660090.6440781000190.177398747107-0.0723276304058-0.6958668319740.552863438055-0.3026471005530.506018885259-0.0146224378806-0.03704773745140.748575325745-0.2690758524150.49893608499319.1396179559-42.171664449883.0121032874
154.44835800546-0.514607672746-2.807471746832.78516197263-1.564234261063.41122338933-0.10915258912-1.335259292160.9139133688111.265509461680.738002521684-0.245485046126-0.825588192048-0.0879518226526-0.583874406670.8744698490960.1602089594750.09231325310940.99661738944-0.339634661840.62592864035514.2213772654-38.260728530887.0696439974
163.67685839395-1.46427314872-3.871236032223.90511559871-0.8494162997095.790382027740.41263395016-1.13750388960.1367847886081.13605249204-0.6342109570210.385823131252-0.7811692375460.0988747748760.3049043816060.8308524000190.0999002464760.1059529805361.063975005-0.2631587375520.59354547771413.1214650478-44.0922450989.601417548
171.2649917903-1.87459526502-0.3138036637536.769913582871.50007969640.344721901245-1.56808585259-0.9025258537940.2863774897211.584306055671.29122058816-1.042227250880.6836974368990.5005073790840.1876336913971.107288567290.209139503461-0.1239084797941.032926059480.1641316252310.59241499224923.0127787778-53.654072764887.4212997052
188.70962121054-0.178748785293-4.275050685015.23641688523-1.080104585474.48477943246-0.425119019313-0.77463795017-0.4835961825260.2480214121660.190701555096-0.2755280250.806681869450.5264522170280.2447700654950.4364781409690.054185496129-0.0368780562970.4588236495080.004876007832360.32700369948723.2751621626-52.714893164573.7580521122
193.43634122743-2.909410943880.2431814365335.11537734445-2.896747608279.065636315-0.422593115555-0.700417327206-0.7550361372870.3209138018940.283006633014-0.1702609203351.232770272450.137665604218-0.1970138279480.6139814349570.06360817114750.1118981791260.439488629440.04278356942950.42286756597315.7494241998-54.408389367377.5860407628
208.3156484023-0.497670924173-5.162860147352.24982248037-0.8750035577067.817272663250.429156858090.5322302861481.5701237544-0.537483951815-0.00950657649995-0.0403583763272-0.681016859412-0.47504976205-0.4325830659210.442505186606-0.00167912348420.08874321903940.3773333327040.02604943148880.63495901901521.860936058-39.107037679463.4417348684
218.417048190832.39690812613-3.895597679746.64814999731-2.199284852577.73630657788-0.09470250300670.6668245194930.53711078048-0.4206662888660.1116134988220.749143089924-0.0476676803812-0.6918380014230.003518224693440.2297335137870.0440676790718-0.0007057872008140.4025424450810.00409529564470.34004011047714.487605444-46.152639887168.9907336715
223.369625530432.81882781734-3.983522196199.37524259639-5.866690231799.49520342678-0.333029904257-0.7637776156420.3028987102180.2240450013770.5287821746950.6338510818470.269243435937-0.73136742116-0.1822756507910.5330009651280.08519663508470.1214530652810.706780733229-0.02296007295280.4150311907417.9720580464-48.072894210281.5833926135
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 1 through 25 )AA1 - 251 - 25
22chain 'A' and (resid 26 through 37 )AA26 - 3726 - 37
33chain 'A' and (resid 38 through 57 )AA38 - 5738 - 57
44chain 'A' and (resid 58 through 76 )AA58 - 7658 - 68
55chain 'A' and (resid 77 through 104 )AA77 - 10469 - 96
66chain 'A' and (resid 105 through 126 )AA105 - 12697 - 118
77chain 'A' and (resid 127 through 168 )AA127 - 168119 - 160
88chain 'B' and (resid 2 through 25 )BC2 - 251 - 24
99chain 'B' and (resid 26 through 37 )BC26 - 3725 - 36
1010chain 'B' and (resid 38 through 57 )BC38 - 5737 - 56
1111chain 'B' and (resid 58 through 74 )BC58 - 7457 - 67
1212chain 'B' and (resid 75 through 126 )BC75 - 12668 - 119
1313chain 'B' and (resid 127 through 168 )BC127 - 168120 - 161
1414chain 'C' and (resid 1 through 25 )CE1 - 251 - 25
1515chain 'C' and (resid 26 through 48 )CE26 - 4826 - 39
1616chain 'C' and (resid 49 through 57 )CE49 - 5740 - 48
1717chain 'C' and (resid 58 through 76 )CE58 - 7649 - 58
1818chain 'C' and (resid 77 through 104 )CE77 - 10459 - 86
1919chain 'C' and (resid 105 through 116 )CE105 - 11687 - 98
2020chain 'C' and (resid 117 through 126 )CE117 - 12699 - 108
2121chain 'C' and (resid 127 through 151 )CE127 - 151109 - 133
2222chain 'C' and (resid 152 through 168 )CE152 - 168134 - 150

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