SAXSdb — 1cej

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

PROTEIN (MEROZOITE SURFACE PROTEIN 1)

Plasmodium falciparum

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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 1526–1621	Fragment：C-TERMINAL FRAGMENT	No other associated polymer	SOLUTION NMR NMR measurement conditions：pH 6.5；298 K；Ionic strength (raw mmCIF value) 50 mM NAPO4, 100 mM NACL；Pressure 1	Resolution not provided

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 1CEJ	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2FLG Solution structure of an EGF-LIKE domain from the Plasmodium falciparum merozoite surface protein 1 Deposited 2006-01-06	Different construct Different mutation/modification Different experimental conditions	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1526–1573（48 aa） Fragment：C-TERMINAL FRAGMENT, residues 1526-1573	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 5；298 K；Ionic strength (raw mmCIF value) 0 mM；Pressure 1 NMR sample composition 1.25 MM FIRST N-TERMINAL EGF-LIKE DOMAIN of MSP1(19), 90% H2O, 10% D2O \| 90% H2O/10% D2O	Resolution not provided
2MUE Structure Immunogenicity and Protectivity Relationship for the 1585 Malarial Peptide and Its Substitution Analogues Deposited 2014-09-08	Different construct Different experimental conditions	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1282–1301（20 aa） Fragment：1585 malarial peptide (UNP residues 1282-1301)	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 3.7；295 K；Pressure ambient NMR sample composition 8 mM TFE, trifluoroethanol/water \| trifluoroethanol/water	Resolution not provided

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

View Construct and Data Evidence

UniProt name	MSP1_PLAFW
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–96； UniProt 1526–1621

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	1cej
Deposition date deposition_date	1999-03-08
Structure title title	SOLUTION STRUCTURE OF AN EGF MODULE PAIR FROM THE PLASMODIUM FALCIPARUM MEROZOITE SURFACE PROTEIN 1
Keywords keywords	EGF-LIKE DOMAIN, EXTRACELLULAR, MODULAR PROTEIN, SURFACE ANTIGEN, MALARIA VACCINE COMPONENT, SURFACE PROTEIN; SURFACE PROTEIN
Experimental Method method	SOLUTION NMR

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

Radius of gyration Rg (Guinier) rg_guinier	13.68 Å
Radius of gyration Rg (electron density) rg_electron	13.64 Å
Forward intensity I(0) i0	2134010000.00
Molecular weight molecular_weight	340050.0 kDa
Excluded volume excluded_volume	403620 Å³
Envelope volume envelope_volume	30351 Å³
Hydration-shell volume shell_volume	15612 Å³
Envelope diameter envelope_diameter	54.0 Å
Shell Rg shell_rg	22.30 Å
Envelope Rg envelope_rg	16.63 Å
Shape Rg shape_rg	13.66 Å
Total Rg total_rg	13.70 Å
Total atoms total_atoms	44704
Residues n_residues	3072
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	48.2 Å
Rg (real space) rg_real	13.67 Å
Rg uncertainty (real space) rg_real_error	0.44 Å
I(0) (real space) i0_real	2.1340e+09
I(0) uncertainty (real space) i0_real_error	2.5320e+07
Rg (reciprocal space) rg_reciprocal	13.67 Å
I(0) (reciprocal space) i0_reciprocal	2134000000.0000
Solution quality estimate total_estimate	0.8633
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	16.5 Å
Skewness Skewness skewness	0.308
Kurtosis Kurtosis kurtosis	-0.253
Angular range angular_range	— – 0.5000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	298300.0000
Real-space data points n_real_points	80
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.768; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.935; Smooth: 0.984

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (1)

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d1ceja1
Class class	g — Small proteins
Fold Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
Superfamily Superfamily superfamily	g.3.11 — EGF/Laminin
Family Family family	g.3.11.4 — Merozoite surface protein 1 (MSP-1)

Domain ID domain_id	d1ceja2
Class class	g — Small proteins
Fold Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
Superfamily Superfamily superfamily	g.3.11 — EGF/Laminin
Family Family family	g.3.11.4 — Merozoite surface protein 1 (MSP-1)

CATH v4.4 (2 domains)

Domain ID domain_id	1cejA01
Class class	2 — Mainly Beta
Architecture architecture	10 — Ribbon
Topology topology	25 — Laminin
Homologous superfamily homologous superfamily	10 — Laminin

Domain ID domain_id	1cejA02
Class class	2 — Mainly Beta
Architecture architecture	10 — Ribbon
Topology topology	25 — Laminin
Homologous superfamily homologous superfamily	10 — Laminin

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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	1

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

Description description	PROTEIN (MEROZOITE SURFACE PROTEIN 1)
Molecular weight formula_weight	10644.7 kDa
Source method src_method	man
Copy count entity_count	1

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	44704

来源生物 organism	Plasmodium falciparum
通用名 common_name	malaria parasite P. falciparum
NCBI Class编号 ncbi_taxonomy_id	5833
宿主生物 host_organism	Pichia pastoris

SOLUTION STRUCTURE OF AN EGF MODULE PAIR FROM THE PLASMODIUM FALCIPARUM MEROZOITE SURFACE PROTEIN 1

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

PROTEIN (MEROZOITE SURFACE PROTEIN 1)

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

6. Entities and Polymers Entities & Polymers (1)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/ce/1cej/1cej.fit
pddf	/app/data/pr_computation/ce/1cej/1cej.pr.out
profile	/app/data/saxs_computation/ce/1cej/1cej.dat