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- EMDB-38613: Structure of MPXV B6 and D68 fab complex -

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Basic information

Entry
Database: EMDB / ID: EMD-38613
TitleStructure of MPXV B6 and D68 fab complex
Map data
Sample
  • Complex: structure of MPXV B6 complexed with D68 Fab
    • Protein or peptide: D68_heavy chain
    • Protein or peptide: D68_light chain
    • Protein or peptide: Protein OPG190
  • Ligand: 2-acetamido-2-deoxy-beta-D-glucopyranose
Keywordsmpxv antibody / VIRAL PROTEIN/IMMUNE SYSTEM / VIRAL PROTEIN-IMMUNE SYSTEM complex
Function / homology
Function and homology information


negative regulation of complement activation / complement binding / host cell Golgi apparatus / virion membrane / membrane
Similarity search - Function
Complement control protein C3/B5 / Sushi repeat (SCR repeat) / Domain abundant in complement control proteins; SUSHI repeat; short complement-like repeat (SCR) / Sushi/SCR/CCP domain / Sushi/CCP/SCR domain profile. / Sushi/SCR/CCP superfamily
Similarity search - Domain/homology
Biological speciesHomo sapiens (human) / Monkeypox virus
Methodsingle particle reconstruction / cryo EM / Resolution: 3.46 Å
Authorswu LL / Sun JQ
Funding support China, 1 items
OrganizationGrant numberCountry
National Natural Science Foundation of China (NSFC)82225021 China
CitationJournal: Nat Commun / Year: 2024
Title: Two noncompeting human neutralizing antibodies targeting MPXV B6 show protective effects against orthopoxvirus infections.
Authors: Runchu Zhao / Lili Wu / Junqing Sun / Dezhi Liu / Pu Han / Yue Gao / Yi Zhang / Yanli Xu / Xiao Qu / Han Wang / Yan Chai / Zhihai Chen / George F Gao / Qihui Wang /
Abstract: The recent outbreak of mpox epidemic, caused by monkeypox virus (MPXV), poses a new threat to global public health. Here, we initially assessed the preexisting antibody level to the MPXV B6 protein ...The recent outbreak of mpox epidemic, caused by monkeypox virus (MPXV), poses a new threat to global public health. Here, we initially assessed the preexisting antibody level to the MPXV B6 protein in vaccinia vaccinees born before the end of the immunization program and then identified two monoclonal antibodies (MAbs), hMB621 and hMB668, targeting distinct epitopes on B6, from one vaccinee. Binding assays demonstrate that both MAbs exhibit broad binding abilities to B6 and its orthologs in vaccinia (VACV), variola (VARV) and cowpox viruses (CPXV). Neutralizing assays reveal that the two MAbs showed potent neutralization against VACV. Animal experiments using a BALB/c female mouse model indicate that the two MAbs showed effective protection against VACV via intraperitoneal injection. Additionally, we determined the complex structure of B6 and hMB668, revealing the structural feature of B6 and the epitope of hMB668. Collectively, our study provides two promising antibody candidates for the treatment of orthopoxvirus infections, including mpox.
History
DepositionJan 8, 2024-
Header (metadata) releaseJun 12, 2024-
Map releaseJun 12, 2024-
UpdateJun 19, 2024-
Current statusJun 19, 2024Processing site: PDBc / Status: Released

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Structure visualization

Supplemental images

emd_38613.png

Downloads & links

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Map

FileDownload / File: emd_38613.map.gz / Format: CCP4 / Size: 178 MB / Type: IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)
Voxel sizeX=Y=Z: 0.69 Å
Density
Contour LevelBy AUTHOR: 0.168
Minimum - Maximum-0.30916226 - 0.57097924
Average (Standard dev.)-0.0013717071 (±0.016090976)
SymmetrySpace group: 1
Details

EMDB XML:

Map geometry
Axis orderXYZ
Origin000
Dimensions360360360
Spacing360360360
CellA=B=C: 248.4 Å
α=β=γ: 90.0 °

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Supplemental data

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Half map: #1

Fileemd_38613_half_map_1.map
Projections & Slices
AxesZYX

Projections

Slices (1/2)
Density Histograms

Histogram

Histogram (log scale)

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Half map: #2

Fileemd_38613_half_map_2.map
Projections & Slices
AxesZYX

Projections

Slices (1/2)
Density Histograms

Histogram

Histogram (log scale)

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Sample components

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Entire : structure of MPXV B6 complexed with D68 Fab

EntireName: structure of MPXV B6 complexed with D68 Fab
Components
  • Complex: structure of MPXV B6 complexed with D68 Fab
    • Protein or peptide: D68_heavy chain
    • Protein or peptide: D68_light chain
    • Protein or peptide: Protein OPG190
  • Ligand: 2-acetamido-2-deoxy-beta-D-glucopyranose

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Supramolecule #1: structure of MPXV B6 complexed with D68 Fab

SupramoleculeName: structure of MPXV B6 complexed with D68 Fab / type: complex / ID: 1 / Parent: 0 / Macromolecule list: #1-#3
Source (natural)Organism: Homo sapiens (human)

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Macromolecule #1: D68_heavy chain

MacromoleculeName: D68_heavy chain / type: protein_or_peptide / ID: 1 / Number of copies: 1 / Enantiomer: LEVO
Source (natural)Organism: Homo sapiens (human)
Molecular weightTheoretical: 23.892848 KDa
Recombinant expressionOrganism: Homo sapiens (human)
SequenceString: QVQLVQSGAE VKKPGSSVKV SCKSSGGTFS DYAINWVRQA PGQGLEWMGR ILPIVGVPNY AQKFQGRVTI TADKSSSTAY KEVSGLRSE DTAVYYCARR SGINGHGLDV WGQGTTVIVS SASTKGPSVF PLAPSSKSTS GGTAALGCLV KDYFPEPVTV S WNSGALTS ...String:
QVQLVQSGAE VKKPGSSVKV SCKSSGGTFS DYAINWVRQA PGQGLEWMGR ILPIVGVPNY AQKFQGRVTI TADKSSSTAY KEVSGLRSE DTAVYYCARR SGINGHGLDV WGQGTTVIVS SASTKGPSVF PLAPSSKSTS GGTAALGCLV KDYFPEPVTV S WNSGALTS GVHTFPAVLQ SSGLYSLSSV VTVPSSSLGT QTYICNVNHK PSNTKVDKRV EPKSCDKTH

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Macromolecule #2: D68_light chain

MacromoleculeName: D68_light chain / type: protein_or_peptide / ID: 2 / Number of copies: 1 / Enantiomer: LEVO
Source (natural)Organism: Homo sapiens (human)
Molecular weightTheoretical: 24.221926 KDa
Recombinant expressionOrganism: Homo sapiens (human)
SequenceString: DIVMTQSPLS LPVTPGEPAS ISCRSSQSLL NTNGYNYLEW YLHKPGQSPQ LLIYLGSHRA SGVPDRFSGS GSGTDFTLKI SRAEPEDVG VYYCMQTLQT QGYTFGQGTK LEIKRTVAAP SVFIFPPSDE QLKSGTASVV CLLNNFYPRE AKVQWKVDNA L QSGNSQES ...String:
DIVMTQSPLS LPVTPGEPAS ISCRSSQSLL NTNGYNYLEW YLHKPGQSPQ LLIYLGSHRA SGVPDRFSGS GSGTDFTLKI SRAEPEDVG VYYCMQTLQT QGYTFGQGTK LEIKRTVAAP SVFIFPPSDE QLKSGTASVV CLLNNFYPRE AKVQWKVDNA L QSGNSQES VTEQDSKDST YSLSSTLTLS KADYEKHKVY ACEVTHQGLS SPVTKSFNRG ECS

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Macromolecule #3: Protein OPG190

MacromoleculeName: Protein OPG190 / type: protein_or_peptide / ID: 3 / Number of copies: 1 / Enantiomer: LEVO
Source (natural)Organism: Monkeypox virus
Molecular weightTheoretical: 28.795867 KDa
Recombinant expressionOrganism: Homo sapiens (human)
SequenceString: STCTVPTMNN AKLTSTETSF NDKQKVTFTC DSGYHSLDPN AVCETDKWKY ENPCKKMCTV SDYVSELYDK PLYEVNSTMT LSCNGETKY FRCEEKNGNT SWNDTVTCPN AECQPLQLEH GSCQPVKEKY SFGEYMTINC DVGYEVIGVS YISCTANSWN V IPSCQQKC ...String:
STCTVPTMNN AKLTSTETSF NDKQKVTFTC DSGYHSLDPN AVCETDKWKY ENPCKKMCTV SDYVSELYDK PLYEVNSTMT LSCNGETKY FRCEEKNGNT SWNDTVTCPN AECQPLQLEH GSCQPVKEKY SFGEYMTINC DVGYEVIGVS YISCTANSWN V IPSCQQKC DIPSLSNGLI SGSTFSIGGV IHLSCKSGFT LTGSPSSTCI DGKWNPILPT CVRSNEEFDP VDDGPDDETD LS KLSKDVV QYEQEIESLE ATY

UniProtKB: Protein OPG190

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Macromolecule #5: 2-acetamido-2-deoxy-beta-D-glucopyranose

MacromoleculeName: 2-acetamido-2-deoxy-beta-D-glucopyranose / type: ligand / ID: 5 / Number of copies: 1 / Formula: NAG
Molecular weightTheoretical: 221.208 Da
Chemical component information

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

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Experimental details

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Structure determination

Methodcryo EM
Processingsingle particle reconstruction
Aggregation stateparticle

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Sample preparation

Concentration0.1 mg/mL
BufferpH: 8
VitrificationCryogen name: ETHANE

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Electron microscopy

MicroscopeFEI TITAN KRIOS
Image recordingFilm or detector model: GATAN K3 (6k x 4k) / Average electron dose: 60.0 e/Å2
Electron beamAcceleration voltage: 300 kV / Electron source: FIELD EMISSION GUN
Electron opticsIllumination mode: FLOOD BEAM / Imaging mode: BRIGHT FIELD / Nominal defocus max: 2.0 µm / Nominal defocus min: 1.0 µm
Experimental equipment
Model: Titan Krios / Image courtesy: FEI Company

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Image processing

Startup modelType of model: INSILICO MODEL
Final reconstructionResolution.type: BY AUTHOR / Resolution: 3.46 Å / Resolution method: FSC 0.143 CUT-OFF / Number images used: 208637
Initial angle assignmentType: MAXIMUM LIKELIHOOD
Final angle assignmentType: MAXIMUM LIKELIHOOD
FSC plot (resolution estimation)

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