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- PDB-10uq: Cohesin domain number 3 from gene locus Rcal_0153 of Ruminococcus... -

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Basic information

Entry
Database: PDB / ID: 10uq
TitleCohesin domain number 3 from gene locus Rcal_0153 of Ruminococcus callidus, a type 5 cohesin
ComponentsCohesin domain number 3
KeywordsSTRUCTURAL PROTEIN / Cellulosome / cohesin / extracellular / cohesin type 5
Biological speciesRuminococcus callidus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.8 Å
AuthorsSawaya, M.R. / Arbing, M.A. / Clubb, R.T.
Funding support United States, 1items
OrganizationGrant numberCountry
Department of Energy (DOE, United States) United States
CitationJournal: Mbio / Year: 2026
Title: AlphaFold-driven structural proteomics reveals extensive cellulosome machinery in human ruminococcal symbionts.
Authors: Minor, C. / Takayesu, A. / Arbing, M.A. / Ha, S.M. / Gunsalus, R.P. / Pellegrini, M. / Sawaya, M.R. / Clubb, R.T.
History
DepositionFeb 10, 2026Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 5, 2026Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Cohesin domain number 3
B: Cohesin domain number 3
C: Cohesin domain number 3
D: Cohesin domain number 3
E: Cohesin domain number 3
F: Cohesin domain number 3
G: Cohesin domain number 3
H: Cohesin domain number 3
I: Cohesin domain number 3
J: Cohesin domain number 3
K: Cohesin domain number 3
L: Cohesin domain number 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)258,50328
Polymers256,96612
Non-polymers1,53716
Water54030
1
A: Cohesin domain number 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)21,6063
Polymers21,4141
Non-polymers1922
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Cohesin domain number 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)21,6063
Polymers21,4141
Non-polymers1922
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Cohesin domain number 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)21,7024
Polymers21,4141
Non-polymers2883
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: Cohesin domain number 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)21,6063
Polymers21,4141
Non-polymers1922
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
E: Cohesin domain number 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)21,5102
Polymers21,4141
Non-polymers961
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
F: Cohesin domain number 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)21,5102
Polymers21,4141
Non-polymers961
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
G: Cohesin domain number 3


Theoretical massNumber of molelcules
Total (without water)21,4141
Polymers21,4141
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
8
H: Cohesin domain number 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)21,5102
Polymers21,4141
Non-polymers961
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
9
I: Cohesin domain number 3


Theoretical massNumber of molelcules
Total (without water)21,4141
Polymers21,4141
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
10
J: Cohesin domain number 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)21,5102
Polymers21,4141
Non-polymers961
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
11
K: Cohesin domain number 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)21,6063
Polymers21,4141
Non-polymers1922
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
12
L: Cohesin domain number 3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)21,5102
Polymers21,4141
Non-polymers961
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)92.110, 172.020, 92.190
Angle α, β, γ (deg.)90.000, 106.190, 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-IDDetails (eV)
d_1ens_1(chain "A" and ((resid 641 and (name N or name...
d_2ens_1(chain "B" and ((resid 641 and (name N or name...
d_3ens_1(chain "C" and ((resid 641 and (name N or name...
d_4ens_1(chain "D" and ((resid 641 and (name N or name...
d_5ens_1(chain "E" and (resid 641 through 681 or resid 683 through 834))
d_6ens_1(chain "F" and ((resid 641 and (name N or name...
d_7ens_1(chain "G" and (resid 641 through 681 or resid 683 through 834))
d_8ens_1(chain "H" and ((resid 641 and (name N or name...
d_9ens_1(chain "I" and ((resid 641 and (name N or name...
d_10ens_1(chain "J" and (resid 641 through 681 or resid 683 through 834))
d_11ens_1(chain "K" and ((resid 641 and (name N or name...
d_12ens_1(chain "L" and (resid 641 through 681 or resid 683 through 834))

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_11LYSLYSPROPROAA641 - 6812 - 42
d_12VALVALASPASPAA683 - 83444 - 195
d_21LYSLYSPROPROBB641 - 6812 - 42
d_22VALVALASPASPBB683 - 83444 - 195
d_31LYSLYSPROPROCC641 - 6812 - 42
d_32VALVALASPASPCC683 - 83444 - 195
d_41LYSLYSPROPRODD641 - 6812 - 42
d_42VALVALASPASPDD683 - 83444 - 195
d_51LYSLYSPROPROEE641 - 6812 - 42
d_52VALVALASPASPEE683 - 83444 - 195
d_61LYSLYSPROPROFF641 - 6812 - 42
d_62VALVALASPASPFF683 - 83444 - 195
d_71LYSLYSPROPROGG641 - 6812 - 42
d_72VALVALASPASPGG683 - 83444 - 195
d_81LYSLYSPROPROHH641 - 6812 - 42
d_82VALVALASPASPHH683 - 83444 - 195
d_91LYSLYSPROPROII641 - 6812 - 42
d_92VALVALASPASPII683 - 83444 - 195
d_101LYSLYSPROPROJJ641 - 6812 - 42
d_102VALVALASPASPJJ683 - 83444 - 195
d_111LYSLYSPROPROKK641 - 6812 - 42
d_112VALVALASPASPKK683 - 83444 - 195
d_121LYSLYSPROPROLL641 - 6812 - 42
d_122VALVALASPASPLL683 - 83444 - 195

NCS oper:
IDCodeMatrixVector
1given(-0.404142472907, -0.137190674133, 0.904349258043), (0.881314805866, 0.206256814631, 0.425138023918), (-0.244853169378, 0.9688327231, 0.0375510332212)-20.1785918427, 11.8637630982, -4.18803684057
2given(-0.328771840823, 0.0257680290361, 0.944057776495), (0.0252949463022, -0.999028817282, 0.0360775266927), (0.944070570653, 0.0357411656258, 0.327800742383)2.10573137441, 99.1690547185, -3.92214236927
3given(-0.593239997078, -0.633303451921, -0.496983947077), (0.754720146451, -0.652342488908, -0.0696188028186), (-0.28011391684, -0.416384455702, 0.864962530195)112.68949541, 61.7910721376, -25.7807458599
4given(-0.0681846128065, -0.29065166537, 0.954396389345), (-0.789545210231, 0.600518560016, 0.12647458273), (-0.609892793511, -0.744915477416, -0.270428755737)-51.37456694, 39.3764463167, 102.643661363
5given(-0.127703847554, 0.951479856376, -0.279960372609), (-0.891858765257, -0.233656364343, -0.387288840837), (-0.433912053479, 0.200226837146, 0.878424466606)8.4286462363, 89.4664182498, -23.5466978339
6given(-0.482654776221, 0.852897979678, -0.199021112577), (0.796540808188, 0.333014778981, -0.504602712905), (-0.36409766256, -0.402077347336, -0.840099219663)-51.8070251367, 67.1349465941, 109.563519585
7given(0.945112982666, -0.0690361620688, -0.319367278104), (0.260549083647, -0.43057954234, 0.864126977202), (-0.197169026491, -0.899908476483, -0.38895900677)-9.27871189277, 47.5429500089, 115.672861218
8given(-0.258946100865, -0.657781095525, -0.707298343852), (-0.805345974039, -0.257247750007, 0.534080010125), (-0.533258641698, 0.707917809838, -0.463128055259)120.942023044, 27.2761682218, -18.0736032025
9given(0.991986282631, 0.0529900095169, 0.114696442679), (0.12626895961, -0.384173568169, -0.914585599799), (-0.00440055799729, 0.92173896978, -0.387785903144)27.0121917893, 112.04623706, -4.62468347768
10given(-0.404774648617, -0.856133894657, -0.32123548723), (-0.208477992665, 0.428451669885, -0.879184902706), (0.890333875808, -0.288901230512, -0.351911449938)116.202093728, 53.4523899807, 16.6707928108
11given(-0.220101426212, 0.824444539048, -0.521389071821), (-0.107670401136, 0.510697914407, 0.852991632397), (0.969516604757, 0.243882845348, -0.0236370650905)-4.51677877508, -15.5155914367, 26.3228133673

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Components

#1: Protein
Cohesin domain number 3


Mass: 21413.824 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Ruminococcus callidus (bacteria) / Plasmid: pET29b / Production host: Escherichia coli (E. coli) / Variant (production host): BL21-Gold (DE3)
#2: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: SO4
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 30 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN
Has protein modificationN

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.48 Å3/Da / Density % sol: 50.4 % / Description: wide plate
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop
Details: 0.2 M di-Potassium phosphate 2.2 M Ammonium sulfate
PH range: 8.5 - 9.6

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.9792 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 13, 2025
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9792 Å / Relative weight: 1
Reflection twinOperator: -l,-k,-h / Fraction: 0.28
ReflectionResolution: 2.8→88.46 Å / Num. obs: 67393 / % possible obs: 99.4 % / Redundancy: 5.8 % / CC1/2: 0.988 / Rmerge(I) obs: 0.201 / Rrim(I) all: 0.221 / Net I/σ(I): 8.5
Reflection shell
Resolution (Å)Rmerge(I) obsNum. unique obsCC1/2Rrim(I) allDiffraction-ID
2.8-2.871.74749810.2771.9161
2.87-2.951.41248590.3311.5521
2.95-3.041.04247200.4961.1431
3.04-3.130.8546190.5870.9321
3.13-3.230.65444360.7260.7181
3.23-3.350.48943110.840.5381
3.35-3.470.35941600.9080.3961
3.47-3.610.26139690.9170.2911
3.61-3.780.21538170.9540.2381
3.78-3.960.17736940.9720.1941
3.96-4.170.14334840.9780.1571
4.17-4.430.12433100.9820.1371
4.43-4.730.10930620.9850.121
4.73-5.110.10829080.9840.1191
5.11-5.60.1126210.9850.1211
5.6-6.260.1124090.9860.1221
6.26-7.230.09420800.9830.1051
7.23-8.850.07717790.9920.0841
8.85-12.520.06514010.9940.0721
12.52-88.460.0627730.9940.0691

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Processing

Software
NameVersionClassification
PHENIX1.21.2_5419refinement
XSCALEdata scaling
XDSdata reduction
PHASERphasing
PDB_EXTRACTdata extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.8→88.46 Å / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 29.7352
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2014 6774 10.05 %
Rwork0.1826 60618 -
obs0.1868 67392 99.51 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 59.53 Å2
Refinement stepCycle: LAST / Resolution: 2.8→88.46 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms17960 0 80 30 18070
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.004318343
X-RAY DIFFRACTIONf_angle_d0.833824931
X-RAY DIFFRACTIONf_chiral_restr0.05352857
X-RAY DIFFRACTIONf_plane_restr0.00523218
X-RAY DIFFRACTIONf_dihedral_angle_d11.7196685
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS0.816557882238
ens_1d_3AAX-RAY DIFFRACTIONTorsion NCS0.774816261715
ens_1d_4AAX-RAY DIFFRACTIONTorsion NCS0.573539076938
ens_1d_5AAX-RAY DIFFRACTIONTorsion NCS0.60699474977
ens_1d_6AAX-RAY DIFFRACTIONTorsion NCS0.915492173152
ens_1d_7AAX-RAY DIFFRACTIONTorsion NCS0.742892648144
ens_1d_8AAX-RAY DIFFRACTIONTorsion NCS0.92667601478
ens_1d_9AAX-RAY DIFFRACTIONTorsion NCS0.82323365954
ens_1d_10AAX-RAY DIFFRACTIONTorsion NCS0.671616181961
ens_1d_11AAX-RAY DIFFRACTIONTorsion NCS0.951481822912
ens_1d_12AAX-RAY DIFFRACTIONTorsion NCS0.828324474912
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.8-2.850.29443340.27582998X-RAY DIFFRACTION89.87
2.85-2.90.29363370.26843037X-RAY DIFFRACTION89.99
2.9-2.960.29193390.2593053X-RAY DIFFRACTION89.95
2.96-3.020.28593370.25193031X-RAY DIFFRACTION89.97
3.02-3.080.26913400.25033062X-RAY DIFFRACTION90.01
3.08-3.150.2723360.24273019X-RAY DIFFRACTION89.9
3.15-3.230.24623350.23753022X-RAY DIFFRACTION89.99
3.23-3.320.23543380.22093036X-RAY DIFFRACTION89.93
3.32-3.420.23293410.21123074X-RAY DIFFRACTION89.94
3.42-3.530.24213350.2063013X-RAY DIFFRACTION89.62
3.53-3.650.21213320.1872988X-RAY DIFFRACTION88.88
3.65-3.80.21623370.17633033X-RAY DIFFRACTION89.55
3.8-3.970.16883400.16543061X-RAY DIFFRACTION89.92
3.97-4.180.16263380.15773042X-RAY DIFFRACTION89.68
4.18-4.440.15833380.14253036X-RAY DIFFRACTION89.58
4.44-4.790.13853350.12973020X-RAY DIFFRACTION89.4
4.79-5.270.16673360.14193026X-RAY DIFFRACTION89.1
5.27-6.030.183360.16343019X-RAY DIFFRACTION89.37
6.03-7.60.19073360.17513028X-RAY DIFFRACTION88.02
7.6-88.460.20613400.18833054X-RAY DIFFRACTION88.57
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)
11.76982644866-0.690824967307-0.6322323253481.04820808844-0.06633100969691.17972377512-0.00536709957471-0.0266138201395-0.044576900050.107192514118-0.02905327692550.1294788866770.112511330655-0.01994628338890.03756510849380.395607375129-0.0815854217588-0.06056192839510.1957034711-0.03137113850180.35965196036830.12750.71868.567
21.53668749015-0.2565051893840.4972384857490.679125776701-0.6932889455141.566180777460.0883528424097-0.03696100642720.04355730256170.1251412512610.007472894888450.15834329575-0.0446069698333-0.0215900310938-0.0754441609310.3279574280190.007893292430720.04518531163270.216186446433-0.05173208002840.43219338231422.63378.0540.132
31.275185403880.0218944774726-0.7572390092371.341652930650.4836263963341.56108872669-0.100991108967-0.0839075381251-0.0627945237461-0.14703549322-0.150582695372-0.2301233492160.004312814913560.1516564610610.1943599087790.4086149912470.0358785654766-0.03240933069030.2611004015410.07182188189690.52494799415358.23451.73748.816
41.24160620002-0.372935513929-0.2856746974621.78449216397-0.2830186342881.09261839026-0.218944433745-0.0339389342629-0.04953734469240.2686100076370.19791383051-0.05154867143790.0607721410718-0.05020008061520.01307082181030.4114057021020.0392090747538-0.04775942315850.2378424964530.01699868820070.44142177745228.62546.6613.964
51.12087512277-0.111895003553-0.4673702780591.201769219080.06237406393530.915850730559-0.0807512306308-0.03087187188770.0868364672952-0.02072734457660.0581762197162-0.01593588348040.12243632596-0.003497085216490.002776406399690.378476020340.0221997350089-0.06303157137880.3786944018690.08575236938040.472584457567-2.7854.68827.964
60.8293247528780.9215046514030.4738257140290.8693038449340.2958020539281.490841928850.042172077510.08747424678050.001259749484230.024243871449-0.0817656927044-0.1500293108960.0293086256373-0.005225151137840.02334988309120.4891498614850.06773730687930.09975069040680.324806501070.04779528838420.59755640944333.64224.18133.762
71.61075018519-0.451496678262-0.3328476544011.300578496870.3961628661680.8031516650870.114986484524-0.178807111901-0.179925022195-0.08871638193980.008449649800730.120746773217-0.0179693500620.0769864496725-0.0708020404020.335343877873-0.0166785674759-0.02573046482760.3330973123140.08953000900370.360930353798-36.74673.45820.644
81.29838019732-0.2844653047850.2428034477031.328348975520.3227342927690.8142073455060.0702467390405-0.0617048927478-0.0501263595694-0.02341413196510.0611416525850.0654375427539-0.0190153300423-0.0824466063832-0.1333677029150.4594883772760.1148415943050.04073923098470.3500938956880.03890488859730.598020680541-6.20492.80137.408
91.962932538190.1863474100220.4252024879861.791264825080.9131274595251.66222865874-0.3577161126270.26513548655-0.0214606042791-0.2059175417060.138549033492-0.00391130121227-0.2642492341640.09927306468120.1845585695260.488107415661-0.147450089189-0.03637824501090.462162313386-0.0816289059130.56418890283731.28126.583-29.993
101.271071251240.411414876175-0.217636294371.55569455571-0.1085375716211.285223794030.0169275430230.216947170482-0.123879894691-0.00724468214612-0.09212857094530.0975909415390.1261284962070.05628205772520.07884410667070.6105698477930.1010950719740.002886896973640.3846804263810.001895498984390.48097475431667.45533.71415.407
111.18351296232-0.406489150616-0.5609333474560.9026296023210.3536876502321.53440289544-0.384816799166-0.149195311576-0.06245512824160.1767965005130.2797227983980.01016633157040.1796042000830.1721555710750.03955773793610.8996406032640.168157544923-0.02249713282290.378020444441-0.01181023510350.60762268457138.5638.6234.711
121.46751390148-0.8281430478320.1049731894241.41359681660.3231008615280.8993710733620.3420643020110.180515480177-0.198339348776-0.271841174394-0.02592083900170.3608382172230.0923834268483-0.485849006859-0.2307701507440.5797386241440.0599447217544-0.2247502225520.6914136829870.1658512700210.697914512155-5.07465.5766.288
130.0101313788686-0.03380101790080.0975212867373-1.56867351515-0.007342990715930.292666104884-0.03151481153410.0245191805716-0.04763347104190.55862896883-0.0467906508456-0.04731442898130.092354253625-0.1042194053750.0186013708810.5327126934330.05122107122150.01023293251020.324237230376-0.08999584216810.72893233166729.40852.90934.334
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 641:834 )A641 - 834
2X-RAY DIFFRACTION2( CHAIN B AND RESID 641:834 )B641 - 834
3X-RAY DIFFRACTION3( CHAIN C AND RESID 641:834 )C641 - 834
4X-RAY DIFFRACTION4( CHAIN D AND RESID 641:834 )D641 - 834
5X-RAY DIFFRACTION5( CHAIN E AND RESID 641:834 )E641 - 834
6X-RAY DIFFRACTION6( CHAIN F AND RESID 641:834 )F641 - 834
7X-RAY DIFFRACTION7( CHAIN G AND RESID 641:834 )G641 - 834
8X-RAY DIFFRACTION8( CHAIN H AND RESID 641:834 )H641 - 834
9X-RAY DIFFRACTION9( CHAIN I AND RESID 641:834 )I641 - 834
10X-RAY DIFFRACTION10( CHAIN J AND RESID 641:834 )J641 - 834
11X-RAY DIFFRACTION11( CHAIN K AND RESID 641:834 )K641 - 834
12X-RAY DIFFRACTION12( CHAIN L AND RESID 641:834 )L641 - 834
13X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )A901 - 902
14X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )A1001 - 1002
15X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )B901 - 902
16X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )B1001 - 1005
17X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )C901 - 903
18X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )C1001 - 1003
19X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )D901 - 902
20X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )D1001 - 1002
21X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )E901
22X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )E1001 - 1002
23X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )F901
24X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )H901
25X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )H1001 - 1003
26X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )J901
27X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )J1001 - 1002
28X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )K901 - 902
29X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )K1001 - 1002
30X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )L901
31X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )L1001 - 1003
32X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )G901 - 903
33X-RAY DIFFRACTION13( CHAIN A AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN B AND ( RESID 901:902 OR RESID 1001:1005 ) ) OR ( CHAIN C AND ( RESID 901:903 OR RESID 1001:1003 ) ) OR ( CHAIN D AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN E AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN F AND RESID 901:901 ) OR ( CHAIN H AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN J AND ( RESID 901:901 OR RESID 1001:1002 ) ) OR ( CHAIN K AND ( RESID 901:902 OR RESID 1001:1002 ) ) OR ( CHAIN L AND ( RESID 901:901 OR RESID 1001:1003 ) ) OR ( CHAIN G AND RESID 901:903 ) OR ( CHAIN I AND RESID 901:903 )I901 - 903

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