SAXSdb — 8hxa

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1. Protein Identity and Related Structures Protein Identity & Related Structures

NFkB inhibitor

Monkeypox virus

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 12 PDB declaration: dodecameric（12） Consistent with protein copy count	Chain A； UniProt 18–220 Chain B； UniProt 18–220 Chain C； UniProt 18–220 Chain D； UniProt 18–220 Chain E； UniProt 18–220 Chain F； UniProt 18–220	Not recorded	T-lymphocyte activation antigen CD80 × 6 （P33681）	ELECTRON MICROSCOPY cryo-EM buffer：pH 8 cryo-EM vitrification conditions：Cryogen ETHANE	Resolution 3.04 Å

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 8HXA	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
8HXB Cryo-EM structure of MPXV M2 hexamer in complex with human B7.2 Deposited 2023-01-04	Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric	Chain A 18–220（203 aa） Chain B 18–220（203 aa） Chain C 18–220（203 aa） Chain D 18–220（203 aa） Chain E 18–220（203 aa） Chain F 18–220（203 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.70 Å
8HXC Cryo-EM structure of MPXV M2 heptamer in complex with human B7.2 Deposited 2023-01-04	Different construct Different mutation/modification Different oligomeric state Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 14 PDB declaration: tetradecameric	Chain A 18–220（203 aa） Chain B 18–220（203 aa） Chain C 18–220（203 aa） Chain D 18–220（203 aa） Chain E 18–220（203 aa） Chain F 18–220（203 aa） Chain G 18–220（203 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.12 Å

2 other PDB entries and 2 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	Q3I8Y9_MONPV
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–203； UniProt 18–220 Author chain B； PDBConstruct 1–203； UniProt 18–220 Author chain C； PDBConstruct 1–203； UniProt 18–220 Author chain D； PDBConstruct 1–203； UniProt 18–220 Author chain E； PDBConstruct 1–203； UniProt 18–220 Author chain F； PDBConstruct 1–203； UniProt 18–220

T-lymphocyte activation antigen CD80

Homo sapiens

UniProt P33681

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 12 PDB declaration: dodecameric（12） Consistent with protein copy count	Chain G； UniProt 35–234 Chain H； UniProt 35–234 Chain I； UniProt 35–234 Chain J； UniProt 35–234 Chain K； UniProt 35–234 Chain L； UniProt 35–234	Not recorded	NFkB inhibitor × 6 （Q3I8Y9）	ELECTRON MICROSCOPY cryo-EM buffer：pH 8 cryo-EM vitrification conditions：Cryogen ETHANE	Resolution 3.04 Å

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 8HXA	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1DR9 CRYSTAL STRUCTURE OF A SOLUBLE FORM OF B7-1 (CD80) Deposited 2000-01-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 35–234（200 aa） Fragment：EXTRACELLULAR REGION	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；PEG400, Na Hepes, CaCl2, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 20K	Resolution 3.00 Å R-free 0.280
1I8L HUMAN B7-1/CTLA-4 CO-STIMULATORY COMPLEX Deposited 2001-03-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 35–242（208 aa） Fragment：EXTRACELLULAR DOMAIN, RESIDUES 35-242	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 9 MAN alpha-D-mannopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；298 K；16% PEG 8000, 0.1M CACODYLATE, PH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	Resolution 3.00 Å R-free 0.257
1I8L HUMAN B7-1/CTLA-4 CO-STIMULATORY COMPLEX Deposited 2001-03-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 35–242（208 aa） Fragment：EXTRACELLULAR DOMAIN, RESIDUES 35-242	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 9 MAN alpha-D-mannopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；298 K；16% PEG 8000, 0.1M CACODYLATE, PH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	Resolution 3.00 Å R-free 0.257
7TPS Crystal structure of ALPN-202 (engineered CD80 vIgD) in complex with PD-L1 Deposited 2022-01-26	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 35–140（106 aa）	Mutation：H52Y, A60E, E69D, M81L, V102M, A105G, D124G	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.03 M sodium nitrate, 0.03 M sodium phosphate dibasic, 0.03 M ammonium sulfate, 0.1 M sodium HEPES/MOPS (acid), pH 7.5, 20% v/v glycerol, 10% w/v PEG 4000	Resolution 3.15 Å R-free 0.291
7TPS Crystal structure of ALPN-202 (engineered CD80 vIgD) in complex with PD-L1 Deposited 2022-01-26	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 35–140（106 aa）	Mutation：H52Y, A60E, E69D, M81L, V102M, A105G, D124G	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.03 M sodium nitrate, 0.03 M sodium phosphate dibasic, 0.03 M ammonium sulfate, 0.1 M sodium HEPES/MOPS (acid), pH 7.5, 20% v/v glycerol, 10% w/v PEG 4000	Resolution 3.15 Å R-free 0.291
8FXW Cryo-EM structure of cowpox virus M2 in complex with human B7.1 (hexameric ring) Deposited 2023-01-25	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric	Chain C 35–235（201 aa） Chain E 35–235（201 aa） Chain G 35–235（201 aa） Chain H 35–235（201 aa） Chain J 35–235（201 aa） Chain L 35–235（201 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 18	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4；150 mM Nacl, 25 mM HEPES, pH7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.70 Å
8FXZ Cryo-EM structure of cowpox virus M2 in complex with human B7.1 (heptameric ring) Deposited 2023-01-25	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 14 PDB declaration: tetradecameric	Chain C 35–235（201 aa） Chain E 35–235（201 aa） Chain G 35–235（201 aa） Chain H 35–235（201 aa） Chain J 35–235（201 aa） Chain L 35–235（201 aa） Chain N 35–235（201 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 21	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4；150 mM Nacl, 25 mM HEPES, pH7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.86 Å

5 other PDB entries and 7 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	CD80_HUMAN
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain G； PDBConstruct 1–200； UniProt 35–234 Author chain H； PDBConstruct 1–200； UniProt 35–234 Author chain I； PDBConstruct 1–200； UniProt 35–234 Author chain J； PDBConstruct 1–200； UniProt 35–234 Author chain K； PDBConstruct 1–200； UniProt 35–234 Author chain L； PDBConstruct 1–200； UniProt 35–234

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	8hxa
Deposition date deposition_date	2023-01-04
Structure title title	Cryo-EM structure of MPXV M2 in complex with human B7.1
Keywords keywords	M2, complex, immune evasion, VIRAL PROTEIN, VIRAL PROTEIN-IMMUNE SYSTEM complex; VIRAL PROTEIN/IMMUNE SYSTEM
Experimental Method method	ELECTRON MICROSCOPY

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	54.19 Å
Radius of gyration Rg (electron density) rg_electron	54.16 Å
Forward intensity I(0) i0	642187000.00
Molecular weight molecular_weight	211250.0 kDa
Excluded volume excluded_volume	263800 Å³
Envelope volume envelope_volume	400250 Å³
Hydration-shell volume shell_volume	60106 Å³
Envelope diameter envelope_diameter	161.8 Å
Shell Rg shell_rg	60.86 Å
Envelope Rg envelope_rg	51.93 Å
Shape Rg shape_rg	54.13 Å
Total Rg total_rg	54.42 Å
Total atoms total_atoms	14790
Residues n_residues	1842
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	159.6 Å
Rg (real space) rg_real	54.07 Å
Rg uncertainty (real space) rg_real_error	1.65 Å
I(0) (real space) i0_real	6.4220e+08
I(0) uncertainty (real space) i0_real_error	1.2790e+07
Rg (reciprocal space) rg_reciprocal	54.25 Å
I(0) (reciprocal space) i0_reciprocal	642300000.0000
Solution quality estimate total_estimate	0.8435
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	71.5 Å
Skewness Skewness skewness	0.018
Kurtosis Kurtosis kurtosis	-0.785
Angular range angular_range	— – 0.1450 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	13090000.0000
Real-space data points n_real_points	30
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.968; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.983; Smooth: 0.076

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

Entity 1 Entity 1 polymer

Description description	NFkB inhibitor
Molecular weight formula_weight	23285.3 kDa
Source method src_method	man
Copy count entity_count	6

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F
Atom count atom_count	14790

VEYKNTICPPRQDYRYWYFVAELTIGVNYDINSTIIGECHMSESYIDRNANIVLTGYGLKINMTIMDTDQRFVAAAEGVGKDNKLSVLLFTTQRLDKVHHNISVTITCMEMNCGTTKYNSDLPESIHKSSSCDITINGSCVTCVNLETDPTKINPHYLHPKNKYLYHNSEYSMRGSYGVTFIDELNQCLLDIKELSYDICYRE

来源 Source

来源生物 organism	Monkeypox virus
NCBI Class编号 ncbi_taxonomy_id	10244
宿主生物 host_organism	Homo sapiens

Entity 2 Entity 2 polymer

Description description	T-lymphocyte activation antigen CD80
Molecular weight formula_weight	22894.0 kDa
Source method src_method	man
Copy count entity_count	6

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	G,H,I,J,K,L

VIHVTKEVKEVATLSCGHNVSVEELAQTRIYWQKEKKMVLTMMSGDMNIWPEYKNRTIFDITNNLSIVILALRPSDEGTYECVVLKYEKDAFKREHLAEVTLSVKADFPTPSISDFEIPTSNIRRIICSTSGGFPEPHLSWLENGEELNAINTTVSQDPETELYAVSSKLDFNMTTNHSFMCLIKYGHLRVNQTFNWNTT

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Homo sapiens

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8. Citations (1)

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Unit-cell length a length_a	1.000 Å
Unit-cell length b length_b	1.000 Å
Unit-cell length c length_c	1.000 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	—

Space group space_group	P 1
Space-group number int_tables_number	1
Crystal system crystal_system	—

Resolution resolution	3.04 Å
Resolution测定方法 resolution_method	—
颗粒数 num_particles	251261

fit	/app/data/saxs_computation/hx/8hxa/8hxa.fit
pddf	/app/data/pr_computation/hx/8hxa/8hxa.pr.out
profile	/app/data/saxs_computation/hx/8hxa/8hxa.dat

Cryo-EM structure of MPXV M2 in complex with human B7.1

1. Protein Identity and Related Structures Protein Identity & Related Structures

NFkB inhibitor

State in the Current Structure

Other States of the Same Protein in the Database

T-lymphocyte activation antigen CD80

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

冷冻电镜 EM 3D

6. Entities and Polymers Entities & Polymers (2)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)