SAXSdb — 9b1a

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

Capsid protein VP1

OrganismNot specified

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 240	viral protein 2 × 60 （A0A0A7X639） Capsid protein VP4 × 60 （Q68T42） (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile × 60	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 4	viral protein 2 × 1 （A0A0A7X639） Capsid protein VP4 × 1 （Q68T42） (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile × 1	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 20	viral protein 2 × 5 （A0A0A7X639） Capsid protein VP4 × 5 （Q68T42） (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile × 5	Consistent with protein count
4	Protein heterocomplex	Heteromer	Protein 24	viral protein 2 × 6 （A0A0A7X639） Capsid protein VP4 × 6 （Q68T42） (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile × 6	Consistent with protein count
5	Protein heterocomplex	Heteromer	Protein 4	viral protein 2 × 1 （A0A0A7X639） Capsid protein VP4 × 1 （Q68T42） (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	A0A097BW12_HED68
Isoform	—
PDB entities	1, 2
Chains and sequence ranges	Author chain A； PDBConstruct 1–309； UniProt 553–861 Author chain B； PDBConstruct 1–247； UniProt 318–564

viral protein 2

OrganismNot specified

UniProt A0A0A7X639

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 240	Capsid protein VP1 × 60 （A0A097BW12） viral protein 3 × 60 （A0A097BW12） Capsid protein VP4 × 60 （Q68T42） (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile × 60	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 4	Capsid protein VP1 × 1 （A0A097BW12） viral protein 3 × 1 （A0A097BW12） Capsid protein VP4 × 1 （Q68T42） (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile × 1	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 20	Capsid protein VP1 × 5 （A0A097BW12） viral protein 3 × 5 （A0A097BW12） Capsid protein VP4 × 5 （Q68T42） (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile × 5	Consistent with protein count
4	Protein heterocomplex	Heteromer	Protein 24	Capsid protein VP1 × 6 （A0A097BW12） viral protein 3 × 6 （A0A097BW12） Capsid protein VP4 × 6 （Q68T42） (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile × 6	Consistent with protein count
5	Protein heterocomplex	Heteromer	Protein 4	Capsid protein VP1 × 1 （A0A097BW12） viral protein 3 × 1 （A0A097BW12） Capsid protein VP4 × 1 （Q68T42） (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	A0A0A7X639_9ENTO
Isoform	—
PDB entities	3
Chains and sequence ranges	Author chain C； PDBConstruct 1–248； UniProt 70–317

Capsid protein VP4

OrganismNot specified

UniProt Q68T42

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 240	Capsid protein VP1 × 60 （A0A097BW12） viral protein 3 × 60 （A0A097BW12） viral protein 2 × 60 （A0A0A7X639） (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile × 60	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 4	Capsid protein VP1 × 1 （A0A097BW12） viral protein 3 × 1 （A0A097BW12） viral protein 2 × 1 （A0A0A7X639） (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile × 1	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 20	Capsid protein VP1 × 5 （A0A097BW12） viral protein 3 × 5 （A0A097BW12） viral protein 2 × 5 （A0A0A7X639） (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile × 5	Consistent with protein count
4	Protein heterocomplex	Heteromer	Protein 24	Capsid protein VP1 × 6 （A0A097BW12） viral protein 3 × 6 （A0A097BW12） viral protein 2 × 6 （A0A0A7X639） (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile × 6	Consistent with protein count
5	Protein heterocomplex	Heteromer	Protein 4	Capsid protein VP1 × 1 （A0A097BW12） viral protein 3 × 1 （A0A097BW12） viral protein 2 × 1 （A0A0A7X639） (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	POLG_HED68
Isoform	—
PDB entities	4
Chains and sequence ranges	Author chain D； PDBConstruct 1–69； UniProt 1–69

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	9b1a
Deposition date deposition_date	2024-03-13
Structure title title	EV-D68 in complex with inhibitor Jun11-69-5
Keywords keywords	EV-D68, Inhibitor, Structural Genomics, VIRAL PROTEIN, Center for Structural Biology of Infectious Diseases, CSBID; VIRAL PROTEIN
Experimental Method method	ELECTRON MICROSCOPY

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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

9b1a__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

9b1a__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

9b1a__assembly_1__model_1 | P(r) · Pending

P(r) will be calculated and displayed separately for the same assembly/model.

Rg（Guinier）	0.00 Å
Rg (electron density)	132.70 Å
Total Rg	132.80 Å
Atom count	381360
Residues	48780
Excluded volume	6773400 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`9b1a__assembly_1__model_1`	240-meric （240）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`9b1a__assembly_2__model_1`	tetrameric （4）	Excluded	—	—
	Exclusion reason： Auxiliary symmetry representation; not a complete or representative biological assembly.
3	1	`9b1a__assembly_3__model_1`	eicosameric （20）	Excluded	—	—
	Exclusion reason： Auxiliary symmetry representation; not a complete or representative biological assembly.
4	1	`9b1a__assembly_4__model_1`	24-meric （24）	Excluded	—	—
	Exclusion reason： Auxiliary symmetry representation; not a complete or representative biological assembly.
5	1	`9b1a__assembly_5__model_1`	tetrameric （4）	Excluded	—	—
	Exclusion reason： Auxiliary symmetry representation; not a complete or representative biological assembly.

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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	Capsid protein VP1
Molecular weight formula_weight	34242.7 kDa
EC 编号 ec_number	3.4.22.29,3.6.1.15,3.4.22.28,2.7.7.48
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	6356

LDHLHAAEAAYQIESIIKTATDTVKSEINAELGVVPSLNAVETGATSNTEPEEAIQTRTVINQHGVSETLVENFLSRAALVSKRSFEYKDHTSSTARADKNFFKWTINTRSFVQLRRKLELFTYLRFDAEITILTTVAVNGSGNNTYVGLPDLTLQAMFVPTGALTPEKQDSFHWQSGSNASVFFKISDPPARITIPFMCINSAYSVFYDGFAGFEKNGLYGINPADTIGNLCVRIVNEHQPVGFTVTVRVYMKPKHIKAWAPRPPRTLPYMSIANANYKGKERAPNALSAIIGNRDSVKTMPHNIVNT

Entity 2 Entity 2 polymer

Description description	viral protein 3
Molecular weight formula_weight	27112.8 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

GVPTYLLPGSGQFLTTDDHSSAPALPCFNPTPEMHIPGQVRNMLEVVQVESMMEINNTESAVGMERLKVDISALTDVDQLLFNIPLDIQLDGPLRNTLVGNISRYYTHWSGSLEMTFMFCGSFMAAGKLILCYTPPGGSCPTTRETAMLGTHIVWDFGLQSSVTLIIPWISGSHYRMFNNDAKSTNANVGYVTCFMQTNLIVPSESSDTCSLIGFIAAKDDFSLRLMRDSPDIGQLDHLHAAEAAYQ

Entity 3 Entity 3 polymer

Description description	viral protein 2
Molecular weight formula_weight	27567.1 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C

SPSAEACGYSDRVLQLKLGNSAIVTQEAANYCCAYGEWPNYLPDHEAVAIDKPTQPETATDRFYTLKSVKWETGSTGWWWKLPDALNNIGMFGQNVQHHYLYRSGFLIHVQCNATKFHQGALLVVAIPEHQRGAHNTNTSPGFDDIMKGEEGGTFNHPYVLDDGTSLACATIFPHQWINLRTNNSATIVLPWMNAAPMDFPLRHNQWTLAIIPVVPLGTRTTSSMVPITVSIAPMCCEFNGLRHAITQ

Entity 4 Entity 4 polymer

Description description	Capsid protein VP4
Molecular weight formula_weight	7468.2 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	D

MGAQVTRQQTGTHENANIATNGSHITYNQINFYKDSYAASASKQDFSQDPSKFTEPVVEGLKAGAPVLK

Entity 5 Entity 5 non-polymer

Description description	(5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile
Molecular weight formula_weight	394.5 kDa
Source method src_method	syn
Copy count entity_count	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	triclinic

Resolution resolution	2.30 Å
Resolution测定Method resolution_method	—
颗粒数 num_particles	317890

EV-D68 in complex with inhibitor Jun11-69-5

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

Capsid protein VP1

State in the Current Structure

Other States of the Same Protein in the Database

viral protein 2

State in the Current Structure

Other States of the Same Protein in the Database

Capsid protein VP4

State in the Current Structure

Other States of the Same Protein in the Database

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

9b1a__assembly_1__model_1

9b1a__assembly_1__model_1 | I(q)

9b1a__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

冷冻电镜 EM 3D

5. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 polymer

Polymer Polymer

Entity 4 Entity 4 polymer

Polymer Polymer

Entity 5 Entity 5 non-polymer

7. Citations (1)

EV-D68 in complex with inhibitor Jun11-69-5

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

Capsid protein VP1

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

viral protein 2

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Capsid protein VP4

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

9b1a__assembly_1__model_1

9b1a__assembly_1__model_1 | I(q)

9b1a__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

冷冻电镜 EM 3D

5. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 polymer

Polymer Polymer

Entity 4 Entity 4 polymer

Polymer Polymer

Entity 5 Entity 5 non-polymer

7. Citations (1)