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- PDB-8k7l: Crystal structure of human lysosomal alpha-galactosidase A in com... -

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Basic information

Entry
Database: PDB / ID: 8k7l
TitleCrystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3R,4S,5R)-2-(aminomethyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol
ComponentsAlpha-galactosidase A
KeywordsHYDROLASE / alpha-galactosidase / glycosidase / iminosugar
Function / homology
Function and homology information


negative regulation of nitric-oxide synthase activity / glycosylceramide catabolic process / regulation of locomotion involved in locomotory behavior / regulation of axon diameter / alpha-galactosidase / glycosphingolipid catabolic process / alpha-galactosidase activity / galactoside binding / oligosaccharide metabolic process / glycoside catabolic process ...negative regulation of nitric-oxide synthase activity / glycosylceramide catabolic process / regulation of locomotion involved in locomotory behavior / regulation of axon diameter / alpha-galactosidase / glycosphingolipid catabolic process / alpha-galactosidase activity / galactoside binding / oligosaccharide metabolic process / glycoside catabolic process / negative regulation of nitric oxide biosynthetic process / Glycosphingolipid catabolism / lipid storage / sleep / catalytic activity / lysosomal lumen / platelet aggregation / azurophil granule lumen / lysosome / hydrolase activity / signaling receptor binding / Neutrophil degranulation / Golgi apparatus / protein homodimerization activity / extracellular exosome / extracellular region / membrane / cytoplasm
Similarity search - Function
Alpha galactosidase A, C-terminal beta-sandwich domain / Alpha galactosidase A C-terminal beta sandwich domain / Alpha galactosidase A / Glycoside hydrolase, family 27 / Glycoside hydrolase family 27/36, conserved site / Alpha-galactosidase signature. / Glycosyl hydrolase, all-beta / Aldolase-type TIM barrel / Glycoside hydrolase superfamily
Similarity search - Domain/homology
: / Alpha-galactosidase A
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å
AuthorsLi, H.Y. / Huang, K.F. / Ko, T.P. / Cheng, W.C.
Funding support Taiwan, 2items
OrganizationGrant numberCountry
Ministry of Science and Technology (MoST, Taiwan) Taiwan
Academia Sinica (Taiwan) Taiwan
CitationJournal: Jacs Au / Year: 2024
Title: Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase.
Authors: Li, H.Y. / Lin, H.Y. / Chang, S.K. / Chiu, Y.T. / Hou, C.C. / Ko, T.P. / Huang, K.F. / Niu, D.M. / Cheng, W.C.
History
DepositionJul 26, 2023Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Apr 10, 2024Provider: repository / Type: Initial release
Revision 1.1Oct 9, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Alpha-galactosidase A
B: Alpha-galactosidase A
hetero molecules


Theoretical massNumber of molelcules
Total (without water)94,50316
Polymers90,7892
Non-polymers3,71314
Water13,836768
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area6930 Å2
ΔGint-38 kcal/mol
Surface area30060 Å2
MethodPISA
Unit cell
Length a, b, c (Å)90.104, 90.104, 215.855
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number154
Space group name H-MP3221
Space group name HallP322"
Symmetry operation#1: x,y,z
#2: -y,x-y,z+2/3
#3: -x+y,-x,z+1/3
#4: x-y,-y,-z+1/3
#5: -x,-x+y,-z+2/3
#6: y,x,-z
Components on special symmetry positions
IDModelComponents
11A-878-

HOH

Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 32 through 61 or resid 63...
d_2ens_1(chain "B" and (resid 32 through 61 or resid 63...

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_11LEULEUASPASPAA32 - 611 - 30
d_12CYSCYSLYSLYSAA63 - 23732 - 206
d_13ILEILELYSLYSAA239 - 240208 - 209
d_14ILEILELEULEUAA242 - 344211 - 313
d_15GLYGLYMETMETAA346 - 421315 - 390
d_16NAGNAGNAGNAGAG501
d_17NAGNAGNAGNAGCC1
d_18NAGNAGNAGNAGCC2
d_19NAGNAGNAGNAGDD2
d_110VO0VO0VO0VO0AH502
d_21LEULEUASPASPBB32 - 611 - 30
d_22CYSCYSLYSLYSBB63 - 23732 - 206
d_23ILEILELYSLYSBB239 - 240208 - 209
d_24ILEILELEULEUBB242 - 344211 - 313
d_25GLYGLYMETMETBB346 - 421315 - 390
d_26NAGNAGNAGNAGEE1
d_27NAGNAGNAGNAGEE2
d_28NAGNAGNAGNAGFF1
d_29NAGNAGNAGNAGBL501
d_210VO0VO0VO0VO0BM502

NCS oper: (Code: givenMatrix: (-0.96717397765, -0.251125409416, -0.0388654821474), (-0.246142440642, 0.88779720381, 0.388883046457), (-0.0631537478812, 0.385684007515, -0.920466974136)Vector: 87. ...NCS oper: (Code: given
Matrix: (-0.96717397765, -0.251125409416, -0.0388654821474), (-0.246142440642, 0.88779720381, 0.388883046457), (-0.0631537478812, 0.385684007515, -0.920466974136)
Vector: 87.8043009713, 14.6690348414, -15.3559585035)

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Components

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Protein , 1 types, 2 molecules AB

#1: Protein Alpha-galactosidase A / Alpha-D-galactosidase A / Alpha-D-galactoside galactohydrolase / ...Alpha-D-galactosidase A / Alpha-D-galactoside galactohydrolase / Galactosylgalactosylglucosylceramidase GLA / Melibiase


Mass: 45394.543 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: GLA / Production host: Homo sapiens (human) / References: UniProt: P06280, alpha-galactosidase

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Sugars , 3 types, 6 molecules

#2: Polysaccharide alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3/a4-b1_b4-c1_c3-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#3: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#4: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 4 types, 776 molecules

#5: Chemical ChemComp-VO0 / (2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol


Mass: 176.214 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C7H16N2O3 / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: SO4
#7: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C3H8O3
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 768 / Source method: isolated from a natural source / Formula: H2O

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Details

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: 2.79 Å3/Da / Density % sol: 55.85 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.2
Details: 100 mM Tris-HCl buffer 7.2, 25% PEG4000 and 200 mM ammonium sulfate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: NSRRC / Beamline: TPS 05A / Wavelength: 1 Å
DetectorType: RAYONIX MX300HE / Detector: CCD / Date: Mar 25, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2→30 Å / Num. obs: 67902 / % possible obs: 98 % / Redundancy: 10.4 % / Biso Wilson estimate: 24.98 Å2 / Rmerge(I) obs: 0.118 / Net I/σ(I): 20.3
Reflection shellResolution: 2→2.07 Å / Rmerge(I) obs: 0.42 / Num. unique obs: 5624

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Processing

Software
NameVersionClassification
PHENIX1.19.2_4158refinement
HKL-2000data reduction
HKL-2000data scaling
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1R47

1r47


Resolution: 2→29.49 Å / SU ML: 0.1775 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 18.6542
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.1862 1976 3.06 %
Rwork0.1574 62700 -
obs0.1583 64676 93.48 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 31.62 Å2
Refinement stepCycle: LAST / Resolution: 2→29.49 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6261 0 239 770 7270
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00466673
X-RAY DIFFRACTIONf_angle_d0.80589063
X-RAY DIFFRACTIONf_chiral_restr0.0488979
X-RAY DIFFRACTIONf_plane_restr0.00571147
X-RAY DIFFRACTIONf_dihedral_angle_d14.00912440
Refine LS restraints NCSType: Torsion NCS / Rms dev position: 2.33433712441 Å
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2-2.050.2514740.19852571X-RAY DIFFRACTION54.17
2.05-2.110.2242960.18143152X-RAY DIFFRACTION67.08
2.11-2.170.22331350.18514104X-RAY DIFFRACTION87.31
2.17-2.240.21991500.17114685X-RAY DIFFRACTION99
2.24-2.320.18461490.17254745X-RAY DIFFRACTION99.98
2.32-2.410.18651510.15864743X-RAY DIFFRACTION100
2.41-2.520.20661480.15834732X-RAY DIFFRACTION99.94
2.52-2.660.21481530.15064791X-RAY DIFFRACTION100
2.66-2.820.18481520.15274762X-RAY DIFFRACTION99.98
2.82-3.040.16221530.14664777X-RAY DIFFRACTION99.98
3.04-3.350.18651530.15484820X-RAY DIFFRACTION100
3.35-3.830.15261520.13454831X-RAY DIFFRACTION100
3.83-4.820.14861510.13524886X-RAY DIFFRACTION100
4.82-29.490.22541590.19125101X-RAY DIFFRACTION99.96
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)
10.007105819057910.009850597813550.006852241456570.01345471455080.008998826393740.002959659814910.117775716976-0.0359313440674-0.01201977831730.0395228217393-0.06235914619860.1232703433120.0351942768417-0.00810480818723.86282825247E-50.152009774784-0.02326185343270.01429372184070.2119434395070.01389634159140.16933980930231.3699080823-29.08131334133.0187151309
20.0276521172242-0.0162034745806-0.01032153087420.006143008132860.01143397643570.01243952871150.03687108088270.20426839272-0.04250986766090.00379932362054-0.002000429036120.02617955168660.106208026315-0.1884168961610.006231089157010.186948882692-0.0611739580847-0.01703838349970.306638625331-0.02242529632860.23111883428724.0250769358-32.8562939824-13.0415156582
30.08654636503040.04435044152890.03394113134380.08706944003430.03443614080040.02754301686210.08468073178330.10316616352-3.54890910701E-50.0310637390523-0.1635915362450.1107147288790.115886680822-0.230540483227-0.02820027759420.105871682169-0.01692520440750.002573038227760.278476603687-0.03919830981520.22409307858519.1112092875-30.2848965565-3.25949319756
40.0306288392031-0.00191034106510.06956727162740.07091859935760.005666344643060.3129403312750.0357400960141-0.1618581426260.0378362625009-0.0183394221708-0.06016347251690.22512030450.0225892865465-0.467010225530.002316910547920.116623928489-0.03560022364060.03267275845260.331628244049-0.02282433836140.25870890992618.1968786813-25.52082157982.73772972103
50.0814001971958-0.02588025402890.06675935341520.0137321378657-0.01283278534050.05766051092170.0324258025308-0.1726883721280.1449910138520.103164521675-0.09156994668050.0395548027308-0.0960079822091-0.279357294334-0.05403449829540.1913543877590.004690718325230.07304714112360.288760899789-0.05381292303530.24659390644424.7972286632-16.730488928411.270908474
60.0331155251594-0.01230672135730.001178463276140.01089242789890.009922502434120.0123774940867-0.0163210130523-0.09163149054770.1508044614720.0527487909399-0.06341402655640.07956018254520.00584982515973-0.0913440692096-0.005578493253570.1574638715590.01493072818810.02736717920610.220066637748-0.01768668069150.1447749724333.5238987864-18.62685513477.71912403986
70.008067443880490.009077447802250.01309661926262.6463470244E-50.00640994015080.01447559130050.0432259678709-0.04136035260550.1234676190670.056050942353-0.06688648759620.0167767720034-0.0916932288511-0.1026888989063.50476188125E-60.1753952193930.0038077928950.02191586120220.1045890358940.0036586389820.15092348189842.9031487089-17.1357224916.10647836744
80.147790976870.0126266537044-0.02145717100820.0742188917117-0.002359422292560.09117750142270.06301328391260.0390153373143-0.0265120765280.0328714519502-0.0372508641201-0.03276255359920.06576973213960.03553680202060.005098411497110.1190589775950.00562266544917-0.004562649573990.09703223023090.01642716421280.108003034346.538846608-28.1393094680.91353830857
90.0362310580606-0.001922833166810.004738034449390.02934117439610.0318880581340.0185595494550.04288775609330.02516668651830.01155520394970.02726157981240.00871570081066-0.04484655679240.06253047959150.139135769250.02020258374990.1731086704930.0523494667987-0.028408341170.1955278066640.01455988720230.1778577938661.3027324699-26.08198405655.42121426748
100.0550467952723-0.02148736446070.03982055069590.0129194276491-0.009558053883710.03069785493680.03539912769050.0324513295195-0.08084294280910.08346715547350.0587673822809-0.08470171621670.1365127421480.1562686452310.02201424020620.1749159521210.0723051131706-0.04129931096920.1629516308760.003183766712720.14631211118662.0642437338-31.37873814075.41945139046
110.143722655353-0.054651047703-0.0004219331957490.0261523358351-0.03804884277210.166097158837-0.005822784217960.1718364225720.0370204819639-0.042607185775-0.102589235305-0.1577049224170.1098999278930.412944631072-0.07085851799580.1402809145650.0440823694560.02591054029040.3049985701040.07613551597220.21014531370170.1261843463-21.5737920666-24.6114389837
120.139161046491-0.09091435214340.1054522303760.0564755281918-0.08342110305110.215565488174-0.02434620412840.17183677107-0.0136698598449-0.0219259311051-0.18977342515-0.180821859770.000758049691380.231418283612-0.0912258873870.1065833142270.04509259590650.07136096764520.5517158049630.1692033421550.35166109712480.78046018-19.0763087532-27.235763147
130.0901436460250.00976313239875-0.005504218542820.00177590319372-0.006152429147550.106422957365-0.1172079064580.1222459170370.08288395942870.0167550961534-0.177939413858-0.21968613323-0.09657877233710.234121754754-0.1998779961840.0561186231803-0.3316009360940.01445354617020.362657823820.3461455332360.35467503414376.5122039069-6.19186021653-28.419789506
140.0924693429-0.04108696525540.009893106111520.0650437460499-0.02655805288690.122212738761-0.265825893250.1800093950870.156126624278-0.0606841257008-0.154683034431-0.186161835251-0.09792082689830.295855135173-0.4000014284310.260306207887-0.211823644930.008425702842550.207066630340.4088709805820.29628329644267.7678478259-2.13137244627-34.0664788432
150.02048374858870.00108986413525-0.001324169391740.00659144729489-0.001088352721020.000842399444015-0.1401000574720.05858788164130.171108335503-0.0636689057591-0.00195626955964-0.00888696407713-0.1009001055830.111563065781-0.03679146955340.23658069998-0.0424511824662-0.01553380234150.1999750513860.1167054236910.22948773235259.7553624405-7.1643030562-31.8631119184
160.07254739311810.105806921660.03755523178160.1657697606310.01274868560960.181386274241-0.08727347188030.08079036419670.199909635864-0.0863055425949-0.04314953646080.0161084350862-0.130467433150.0754224231207-0.09401818573250.2219637958540.05476417587720.002207676546650.1426221177560.08760395946430.16814049985550.2400462161-8.69721683356-30.5816205001
170.013541630977-0.00878199903281-0.003162776546930.004392295912650.002016769138550.0095825426027-0.00265642361857-0.02104845591350.0464989723518-0.07187979849110.00637299135102-0.039365778903-0.02862296819590.06326222781590.008050829484860.1408090240040.03412599793310.01119534982140.1340836108060.02305838882830.13699244512351.6129889042-21.6570821778-23.6795060856
180.0260591823850.00313948122933-0.007878514673580.00606407755826-0.005131134744770.008029838812710.03444270272330.0819077197069-0.0526143950046-0.0954440282977-0.0509834975544-0.07258824768970.06325686941260.124064585776-0.002439774447430.1662776958130.05537794654350.01658026498150.1573524121350.03726235725480.14944890680856.7658016873-27.0250952878-27.9697562518
190.07279541634210.04422159552790.03610710300810.0740329316531-0.0136875404250.04037530731920.0205383724290.06889437280520.0723858572133-0.122700486537-0.0199884790370.102336967332-0.0607591571114-0.176640866792-0.0359298483970.1919582564560.0562372105276-0.0185372728830.2257408609480.03712643504490.12422313014738.8047351867-18.8695228261-35.2216081586
200.01835735161840.0031908584319-0.0004900303572570.007791214933460.002987931919710.006810080242450.0462809125020.0446058903664-0.0410085631819-0.09697926485550.004251114949310.1100104682550.0339619888825-0.1564770316790.00126249790330.212920747795-0.0040998575396-0.06081101721370.2548362591480.03423233326260.16028015834335.0827748524-26.9875641161-37.3149952896
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 32 through 50 )AA32 - 501 - 19
22chain 'A' and (resid 51 through 78 )AA51 - 7820 - 47
33chain 'A' and (resid 79 through 116 )AA79 - 11648 - 85
44chain 'A' and (resid 117 through 176 )AA117 - 17686 - 145
55chain 'A' and (resid 177 through 215 )AA177 - 215146 - 184
66chain 'A' and (resid 216 through 235 )AA216 - 235185 - 204
77chain 'A' and (resid 236 through 264 )AA236 - 264205 - 233
88chain 'A' and (resid 265 through 355 )AA265 - 355234 - 324
99chain 'A' and (resid 356 through 388 )AA356 - 388325 - 357
1010chain 'A' and (resid 389 through 421 )AA389 - 421358 - 390
1111chain 'B' and (resid 32 through 100 )BJ32 - 1001 - 69
1212chain 'B' and (resid 101 through 136 )BJ101 - 13670 - 105
1313chain 'B' and (resid 137 through 176 )BJ137 - 176106 - 145
1414chain 'B' and (resid 177 through 215 )BJ177 - 215146 - 184
1515chain 'B' and (resid 216 through 235 )BJ216 - 235185 - 204
1616chain 'B' and (resid 236 through 264 )BJ236 - 264205 - 233
1717chain 'B' and (resid 265 through 289 )BJ265 - 289234 - 258
1818chain 'B' and (resid 290 through 320 )BJ290 - 320259 - 289
1919chain 'B' and (resid 321 through 388 )BJ321 - 388290 - 357
2020chain 'B' and (resid 389 through 423 )BJ389 - 423358 - 392

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