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- PDB-6kw1: The structure of the metallo-beta-lactamase VIM-2 in complex with... -

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Basic information

Entry
Database: PDB / ID: 6kw1
TitleThe structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide 1b
ComponentsBeta-lactamase class B VIM-2
KeywordsHYDROLASE / Antibiotic resistant / Metallo-beta-lactamase VIM-2 inhibitor / Trizolylthioacetamides / Crystallographic study
Function / homology
Function and homology information


beta-lactamase / hydrolase activity / metal ion binding
Similarity search - Function
: / Metallo-beta-lactamase superfamily / Metallo-beta-lactamase superfamily / Metallo-beta-lactamase / Ribonuclease Z/Hydroxyacylglutathione hydrolase-like
Similarity search - Domain/homology
Chem-9RX / ACETATE ION / FORMIC ACID / Metallo-beta-lactamase type 2
Similarity search - Component
Biological speciesPseudomonas aeruginosa (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.77521201035 Å
AuthorsYang, K.W. / Xiang, Y.
Funding support China, 2items
OrganizationGrant numberCountry
National Natural Science Foundation of China81361138018 China
National Natural Science Foundation of China21572179 China
CitationJournal: Biomolecules / Year: 2020
Title: Kinetic, Thermodynamic, and Crystallographic Studies of 2-Triazolylthioacetamides as Verona Integron-Encoded Metallo-beta-Lactamase 2 (VIM-2) Inhibitor.
Authors: Xiang, Y. / Zhang, Y.J. / Ge, Y. / Zhou, Y. / Chen, C. / Wahlgren, W.Y. / Tan, X. / Chen, X. / Yang, K.W.
History
DepositionSep 5, 2019Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Sep 9, 2020Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2021Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Nov 22, 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
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Beta-lactamase class B VIM-2
B: Beta-lactamase class B VIM-2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)58,24922
Polymers56,7062
Non-polymers1,54320
Water5,837324
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: isothermal titration calorimetry
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3070 Å2
ΔGint-111 kcal/mol
Surface area18060 Å2
MethodPISA
Unit cell
Length a, b, c (Å)103.759, 79.421, 67.981
Angle α, β, γ (deg.)90.000, 130.938, 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

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Components

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Protein , 1 types, 2 molecules AB

#1: Protein Beta-lactamase class B VIM-2 / Beta-lactamase / BlaVIM-2 / Metallo beta-lactamase / Metallo-beta-lactamase VIM-2 / Subclass B1 ...Beta-lactamase / BlaVIM-2 / Metallo beta-lactamase / Metallo-beta-lactamase VIM-2 / Subclass B1 metallo-beta-lactamase VIM-2 / VIM-2 / VIM-2 class B metallo b-lactamase / VIM-2 metallo-beta-lactamase / VIM-2 type metallo-beta-lactamase


Mass: 28352.836 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas aeruginosa (bacteria)
Gene: blaVIM-2, bla vim-2, bla-VIM-2, blasVIM-2, blaVIM2, VIM-2, vim-2, IPC669_36195
Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q9K2N0

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Non-polymers , 8 types, 344 molecules

#2: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn
#3: Chemical
ChemComp-CL / CHLORIDE ION / Chloride


Mass: 35.453 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Cl
#4: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#5: Chemical
ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Na
#6: Chemical ChemComp-9RX / 2-[3-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]benzoic acid


Mass: 394.407 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C18H14N6O3S
#7: Chemical ChemComp-ACT / ACETATE ION / Acetate


Mass: 59.044 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C2H3O2 / Feature type: SUBJECT OF INVESTIGATION
#8: Chemical ChemComp-FMT / FORMIC ACID / Formic acid


Mass: 46.025 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: CH2O2
#9: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 324 / Source method: isolated from a natural source / Formula: H2O

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Details

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: 1.87 Å3/Da / Density % sol: 34.07 %
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop
Details: 20% PEG 8000, 0.1M MES, pH 6.5, 0.1M magnesium acetate

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Data collection

DiffractionMean temperature: 97 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL18U1 / Wavelength: 0.97852 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Dec 25, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97852 Å / Relative weight: 1
ReflectionResolution: 1.775→39.1907632483 Å / Num. obs: 39958 / % possible obs: 99.13 % / Redundancy: 10 % / Biso Wilson estimate: 16.1 Å2 / Rmerge(I) obs: 0.128 / Rpim(I) all: 0.055 / Net I/σ(I): 6.38
Reflection shellResolution: 1.775→1.839 Å / Num. unique obs: 39958 / Rrim(I) all: 0.14 / % possible all: 99.13

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Processing

Software
NameVersionClassification
PHENIX1.11.1_2575refinement
Blu-Icedata collection
HKL-3000data reduction
HKL-3000data scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1ko3

1ko3


Resolution: 1.77521201035→39.1907632483 Å / SU ML: 0.164202998798 / Cross valid method: FREE R-VALUE / σ(F): 1.38229043876 / Phase error: 21.0323134189
RfactorNum. reflection% reflection
Rfree0.206324845679 2019 5.05407029138 %
Rwork0.176544854667 --
obs0.178080634821 39948 99.1388509741 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 25.9373964541 Å2
Refinement stepCycle: LAST / Resolution: 1.77521201035→39.1907632483 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3486 0 84 324 3894
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00392522518413640
X-RAY DIFFRACTIONf_angle_d0.6856642335734976
X-RAY DIFFRACTIONf_chiral_restr0.0495713551409560
X-RAY DIFFRACTIONf_plane_restr0.00398587243297654
X-RAY DIFFRACTIONf_dihedral_angle_d13.31346546222098
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.77521201035-1.81960.2221154888541300.1919431486352457X-RAY DIFFRACTION90.1707912165
1.8196-1.86880.2345370891511490.1865329677772747X-RAY DIFFRACTION99.9654815326
1.8688-1.92380.2420431139271450.1797716661452706X-RAY DIFFRACTION100
1.9238-1.98590.2191308852411380.1827213741612715X-RAY DIFFRACTION99.8599929996
1.9859-2.05690.2251877035871430.1709630555052687X-RAY DIFFRACTION99.4378074491
2.0569-2.13920.1809313933521430.1735654343342724X-RAY DIFFRACTION100
2.1392-2.23660.1931587875571460.1733467698792730X-RAY DIFFRACTION99.9652415711
2.2366-2.35450.2260451439731330.1858769131482725X-RAY DIFFRACTION99.9300699301
2.3545-2.50190.2352994658921520.1804898907452729X-RAY DIFFRACTION99.7921718046
2.5019-2.69510.2169367757971520.1815134462782724X-RAY DIFFRACTION99.9305072967
2.6951-2.96620.2390476718261450.17405218022741X-RAY DIFFRACTION100
2.9662-3.39520.1838159917951470.1694667157842720X-RAY DIFFRACTION99.7911590672
3.3952-4.27680.18183530431480.1602030125432750X-RAY DIFFRACTION99.8277643817
4.2768-39.19070.1938333159051480.188100977582774X-RAY DIFFRACTION99.3201903467
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)
10.04272576764360.2255930956030.4076332065668.380492673990.4804730783524.23889455835-0.100551470516-1.16694040784-0.7563197328411.251398299360.4439775495630.6345409021860.7193256669510.336479928734-0.2616881341240.3557221279160.0315297168051-0.05927376873590.6120077730060.3296390742510.464562722839-21.86526193322.478079680816.3286526741
25.181565146270.997983788706-1.262498527753.77181047174-0.4058170844523.078956680720.249550929101-0.733083587463-0.3684410570260.306003740031-0.265310978797-0.3166289433080.2785026831590.3455819365260.0246200195570.148228369865-0.0246482797557-0.06551920520830.2279589154750.08472552407290.270155853814-20.72802967176.6983277883310.1674185624
31.05810111405-0.7332828506160.7754142106421.599934270970.7853243569652.182262269420.11675890248-0.274768721672-0.01744276739490.0758330380125-0.134334833374-0.230779596894-0.01949030222730.130535385385-0.02056374657980.0832409515775-0.0282599091589-0.02623728437320.1764462184030.0215558509540.159989930897-20.744239642212.55822010516.65973633621
41.765719409340.3115530372910.3480711292583.131318144380.05336272272473.568081043290.125860728138-0.492279589997-0.2066278232120.419480738528-0.276599221818-0.4552162303650.1983370655750.414735081386-0.06050182461940.240920808432-0.141538375619-0.1272576424780.4770911636330.1234475165090.145341449802-18.200868376615.574705802615.9633557299
52.429849298681.52426787810.2436008086512.905672850780.549048037542.0497827203-0.0320029604073-0.04479275752860.167808381529-0.259694684617-0.01556929102510.0554164523422-0.2626458458170.0301545976870.03913017030870.125781187363-0.0147089493772-0.005800684145380.0858728657298-0.0001734400352710.10142736389-27.735087367218.8799038579-0.652495036008
61.86048484609-0.3194110792321.342786036642.423836376860.03287616177972.381316480520.0300453600294-0.257378823818-0.216004068697-0.2855871908330.018919046524-0.06449891036220.101315098396-0.0658953519727-0.04719718111090.1044839816810.00397385533980.0234043905020.100252462392-0.009370356580390.140898924845-28.22740897923.89102129526-1.14371240826
76.390079519180.738575689621-1.503800537142.63693055616-0.1502827929834.58985115618-0.08371620340850.535341296995-0.341784349544-0.7111117505840.25017322548-0.29738745195-0.02183442500680.0859303820291-0.08447865543430.280593793748-0.043682841740.03068910258020.115892336673-0.04991544331240.134030818722-31.42896956793.43543641905-11.9133930612
81.98854076273-0.0783225464623-1.054449322340.44569930672-0.07030651194172.07382802424-0.170345878006-0.0414065392479-0.519114981045-0.39993641320.0393430896562-0.7556048049260.2626810638960.4076622646570.1952636908720.1263576741120.01521203769790.1537702684750.160969167463-0.0457753869010.392081206364-20.86688059051.30783601097-2.28004802808
99.508246481091.430822449951.344116676364.45364780452-0.04925970756724.318646549430.229037975284-0.0217201420739-0.13482287363-0.1382129103640.0111121750352-0.09794314687410.111317072307-0.141447643475-0.2415307812410.144513150911-0.0151383544373-0.0004892432553050.06691335558660.002915487798470.11548341833-35.0140363139-4.24888496638-5.0679441048
103.5243359662-0.2517110034860.2392214353485.98792915296-1.404526176020.338788785639-0.305390600547-0.3596522994070.749085233428-0.577074623030.239460229658-1.22131047973-0.7163493801151.11373716484-0.1137569134850.439278107289-0.281592553251-0.04620746193940.544143167434-0.01194329100070.431275219825-31.4400628811-3.5995048606927.4401583894
112.828192540450.163776217808-0.7082067655593.77100068491-1.111859973776.470795721170.00420678977488-0.1528788339430.2370779276060.294799442208-0.309432140282-0.305055994115-0.3726434763880.7314010299190.163400190290.219497888823-0.0733610709684-0.0634210115380.2374265958780.0351929653240.158161120676-37.3594020593-7.8243676307629.401284453
122.26590929608-0.7286252199820.5713265838131.895035758960.9378779616850.904267299713-0.0124394118655-0.1657150421350.02154334646850.271854514112-0.162054418245-0.130706880155-0.03441642803510.3366431502970.2118237702560.145313987992-0.0232602372456-0.03714072195340.1970322318480.03926754715450.0961223349693-40.8703192794-13.68124309529.8871815275
132.35166473393-1.012797626650.4096190447512.96393091165-1.466336080892.473028321110.050000330947-0.0643842442955-0.1970600386920.0482791265632-0.06914845670860.1447828279070.05951227639230.185519895634-0.008359107240780.0956790464494-0.00829894966560.002703273959080.1028212759120.01904660227830.106700969354-46.4318364065-19.574977710425.0145077261
142.60849959932-0.08748976435851.306062060472.586626795560.4582035489021.24532482786-0.03686933632020.0895945975570.0910176110330.09682529965560.04066522296130.162122257108-0.2513256739660.1959581749870.01398308375960.143573792946-0.002127269835420.02278542012670.0909224689962-0.01248323007340.0933327911164-49.7830421428-5.3240799696323.6093139316
152.410989137070.0143955000011-0.1775984011061.67254432508-0.09242340733523.18966169899-0.156403132918-0.2270555691740.09430905490970.5088253636050.1552654235920.494341845689-0.387882855523-0.172737921655-0.0001886954523780.2439626199820.04487386325320.07534184628480.09813161373640.007137500032350.189901513397-55.355545151-3.5003830950626.4072213574
164.515320213470.08800923467661.379092504324.34189382435-1.454240727462.27875516209-0.2296756404480.05348853699190.1079020316420.2171119463730.0572075712420.180661651274-0.103859733968-0.1251885873270.189910454540.1443914643230.006407483472590.002748250680010.06897243732490.01293399162590.148216363585-54.57279442943.1955320740517.4264347804
1700-0000-7440.7861302511037.166091-129947.996503000122383.197273-7812.825435857440.786130250.160370504495-0.01403931026860.01248972738470.177012723765-0.01888515822350.174403022963-34.94396878319.968252725733.19045367544
18000000-3069.32427823106442.3407875828.6158011-104954.1835613069.32427823-3007.317727160000.232740240873-0.01290643527450.0191839810560.2415495364640.01835007905210.219412213194-32.46993160917.531755415544.9328739085
190000000000000000.8492672763870.00465887082593-0.1864848544650.5313922555860.07638522916810.998667668947-32.19710120910.4252463990488.65773606317
200-005.86851313689E-120025608.7055885278364.086821-21795.3027092-369079.671005-25608.705564-145599.089874-2.25415537408E-597016.9570699-2.44755067823E-50.6215160688560.07527003900360.1714462944510.479165128641-0.07032989562920.633751265344-30.8532671546-0.7248504076486.7002056413
210000-0000016730.6366168-14862.6481034-10042.074888129869.4133798106289.66330214862.64810340.731239719975-0.2548398087240.3786414701420.544519290005-0.2869418791230.982443971028-22.6726471229-9.61874229439-4.76399884386
224.382818887943.50254622863-1.254971751163.57598482431-2.325937231922.612286708420.103894615435-1.888335846810.4734271058371.763400085030.380648783381.53156118119-0.621336584446-1.38593807846-0.2708537156980.530335356771-0.008443936216370.2022064327410.72296720822-0.03131185515830.366450931465-36.95483788198.337330151288.41416914681
231.999993085552.000000947661.999999686621.99999541721-8.609059352521.999995307255.076119586090.658886319823-5.272185678152.33015250016-3.452094066613.469104162047.042846687490.632441068897-1.625483261430.617910153458-0.108661153017-0.2298305968150.68060725558-0.2592300184120.585209082403-15.287150425722.73767336611.2830861092
24001.1995814614E-12000-77384.1757421-24275.5647461392105.3867240-00-602245.588317-54069.712537977384.17574211.04448919730.20165527064-0.2958893656350.421459406331-0.08511932688830.62930363142-35.69383300377.37752855287-13.248266032
25000000-2658.5308773643667.93532721085.11464382-46799.2661572658.53087736-1426.150674750000.595789453969-0.05621531022240.001298350642120.5872384217140.01082186116570.482903489544-12.990535107721.0078375856-0.771279221938
261.99999756742.238483197999.747725904412.410778193994.093484072281.9999983833318.4684915036-28.329640342145.6004873677-9.1479828614526.5923456091-61.1472409126-23.362532113134.3736813584-45.04507940720.936528286497-0.2246630178570.0846749163120.651237832841-0.04348954636820.996273222702-15.627672939522.6260609938-7.20659816461
27000000-013099.702359-0-13099.702359-0-00000.1683195372550.01471232923770.01296376175960.1723133915530.0200405984580.162490342644-46.324275425-11.077994113516.3112360884
280-001.42560820394E-1100-1.5731267148E-83.21401888848E-956111.53949236.29250685919E-8-1.28560755518E-8-224446.157969-56111.5395095224446.1579742.85873427003E-80.219108089589-0.01335213520688.99304183696E-50.2179669564030.009597852417790.219662213045-44.2623267841-8.6430544571818.5223429485
290000000000000001.00367469952-0.00520350309024-0.2304253198220.5723684123370.0459628667910.722206624646-40.4143479007-1.5574135032318.1773437584
3000-00003212.71442761-3861.8455091821144.6908486000-16567.8322973-36.8163896961-3212.714427610.52218624027-0.01515308198560.1970652476540.630944546719-0.1981797599380.626276052919-42.1483086426-0.30199797182219.8754825098
310000-00-0001317.22062359282.31397899254124.9489854-379.675306789-54366.3680055-282.3139789920.88564965442-0.0567006178594-0.4796358332940.3884265351390.02017025192460.770662258764-27.0083925122-4.910417551439.26576497528
326.861293371685.51286027784-4.832743554438.56069174827-2.566558947093.82344644082-0.3297011127911.28346671311-1.16137553758-1.0104817230.202152161833-1.649149142921.270531754011.967849240930.1678927697930.4867255697010.1860631338150.104888237890.721761762016-0.03842576967590.514765579658-41.0874735986-9.89091489714.3630529966
331.99999812251.99999544596-7.423810829221.999996273522.000000206331.99999310392-1.71643560822-4.170998382228.85301878558-3.89409177703-3.44806698071-4.47165468256-4.518236133760.7385403720815.177809231350.5102633279110.273295328683-0.170593134080.5539896739630.02151747286470.815021830755-35.5194209675-23.934248213834.4719583624
340001.92191648767E-901.10466316946E-10000124013.10213339684.1926763-3099537.79775-91273.64316951781526.54889-39684.19267630.626143550465-0.0189006684654-0.03603968728350.413570489339-0.009686272153310.692649911574-62.7731144116-8.4143950946817.8409393788
350001.433E-101.0E-112.23E-10000196436.753777-81600.62118922310944.7029460518.3938374-3595720.4404581600.62118920.527016199838-0.02278017976240.05412077335440.758271457839-0.02472314431060.432768792271-47.0721610548-22.221939287338.5830001833
361.960514533662.33576441912-0.02990156120088.047038155513.939293793963.3509946998151.6354988321-77.365129772965.730080490815.5414702206-9.584337932219.78994699137-61.793913130871.2496966187-42.04540510470.809381065411-0.1051473338560.1567324988651.06960236447-0.1098918710861.10331875577-49.30096059934.362061700561.33505058086
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 30 through 42 )
2X-RAY DIFFRACTION2chain 'A' and (resid 43 through 63 )
3X-RAY DIFFRACTION3chain 'A' and (resid 64 through 88 )
4X-RAY DIFFRACTION4chain 'A' and (resid 89 through 103 )
5X-RAY DIFFRACTION5chain 'A' and (resid 104 through 201 )
6X-RAY DIFFRACTION6chain 'A' and (resid 202 through 238 )
7X-RAY DIFFRACTION7chain 'A' and (resid 239 through 252 )
8X-RAY DIFFRACTION8chain 'A' and (resid 253 through 279 )
9X-RAY DIFFRACTION9chain 'A' and (resid 280 through 296 )
10X-RAY DIFFRACTION10chain 'B' and (resid 30 through 42 )
11X-RAY DIFFRACTION11chain 'B' and (resid 43 through 63 )
12X-RAY DIFFRACTION12chain 'B' and (resid 64 through 88 )
13X-RAY DIFFRACTION13chain 'B' and (resid 89 through 200 )
14X-RAY DIFFRACTION14chain 'B' and (resid 201 through 238 )
15X-RAY DIFFRACTION15chain 'B' and (resid 239 through 279 )
16X-RAY DIFFRACTION16chain 'B' and (resid 280 through 296 )
17X-RAY DIFFRACTION17chain 'A' and resid 401
18X-RAY DIFFRACTION18chain 'A' and resid 402
19X-RAY DIFFRACTION19chain 'A' and resid 403
20X-RAY DIFFRACTION20chain 'A' and resid 404
21X-RAY DIFFRACTION21chain 'A' and resid 405
22X-RAY DIFFRACTION22chain 'A' and resid 406
23X-RAY DIFFRACTION23chain 'A' and resid 407
24X-RAY DIFFRACTION24chain 'A' and resid 408
25X-RAY DIFFRACTION25chain 'A' and resid 409
26X-RAY DIFFRACTION26chain 'A' and resid 410
27X-RAY DIFFRACTION27chain 'B' and resid 401
28X-RAY DIFFRACTION28chain 'B' and resid 402n
29X-RAY DIFFRACTION29chain 'A' and resid 411
30X-RAY DIFFRACTION30chain 'B' and resid 403
31X-RAY DIFFRACTION31chain 'A' and resid 412
32X-RAY DIFFRACTION32chain 'B' and resid 404
33X-RAY DIFFRACTION33chain 'B' and resid 405
34X-RAY DIFFRACTION34chain 'B' and resid 406
35X-RAY DIFFRACTION35chain 'B' and resid 407
36X-RAY DIFFRACTION36chain 'B' and resid 408

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