SAXSdb — 2few

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

PTS system mannitol-specific EIICBA component

Escherichia coli

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 × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 491–637	Fragment：EIIA-MTL, PHOSPHOTRANSFERASE ENZYME II, A DOMAIN COMPONENT Mutation：H65Q	mannitol-specific PTS system enzyme IIABC components × 1	SOLUTION NMR NMR measurement conditions：pH 7.4；303 K；Ionic strength (raw mmCIF value) 20 mM TRIS-D11	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 2FEW	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1A3A CRYSTAL STRUCTURE OF IIA MANNITOL FROM ESCHERICHIA COLI Deposited 1998-01-19	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 491–637（147 aa） Fragment：IIA DOMAIN, RESIDUES 491 - 637 Chain C 491–637（147 aa） Fragment：IIA DOMAIN, RESIDUES 491 - 637	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.5	Resolution 1.80 Å R-free 0.242
1A3A CRYSTAL STRUCTURE OF IIA MANNITOL FROM ESCHERICHIA COLI Deposited 1998-01-19	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 491–637（147 aa） Fragment：IIA DOMAIN, RESIDUES 491 - 637 Chain D 491–637（147 aa） Fragment：IIA DOMAIN, RESIDUES 491 - 637	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.5	Resolution 1.80 Å R-free 0.242
1J6T COMPLEX OF ENZYME IIAMTL AND THE HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE Deposited 2002-08-14	Different construct Different mutation/modification Different ligand/ion Different experimental conditions	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 491–637（147 aa） Fragment：EIIA DOMAIN	Not recorded	PO3 PHOSPHITE ION × 1	SOLUTION NMR NMR measurement conditions pH 7；308 K；Ionic strength (raw mmCIF value) 10 mM SODIUM PHOSPHATE	Resolution not provided
1VKR STRUCTURE OF IIB DOMAIN OF THE MANNITOL-SPECIFIC PERMEASE ENZYME II Deposited 2004-06-14	Different construct Different mutation/modification Different oligomeric state Different experimental conditions	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 367–489（123 aa） Fragment：IIB DOMAIN	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7.1；308 K；Ionic strength (raw mmCIF value) 40 mM SODIUM PHOSPHATE	Resolution not provided
1VRV Structure of phosphorylated IIB (C384(SEP)) domain of the mannitol-specific permease enzyme II Deposited 2005-06-17	Different construct Different mutation/modification Different oligomeric state Different experimental conditions	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 375–475（101 aa） Fragment：IIB DOMAIN	Mutation：C384(SEP) Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7.4；303 K；Ionic strength (raw mmCIF value) 0 EXCEPT FOR RDC MEASUREMENTS IN PHAGE PF1 WHERE IT WAS 0.5M	Resolution not provided

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

View Construct and Data Evidence

UniProt name	PTM3C_ECOLI
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 2–148； UniProt 491–637

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	2few
Deposition date deposition_date	2005-12-16
Structure title title	Complex of enzyme IIAMTL and phosphorylated enzyme IIBMTL from Escherichia coli NMR, restrained regularized mean structure
Keywords keywords	PHOSPHOTRANSFERASE, TRANSFERASE, KINASE, SUGAR TRANSPORT, COMPLEX (TRANSFERASE-PHOSPHOCARRIER); TRANSFERASE
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	19.31 Å
Radius of gyration Rg (electron density) rg_electron	18.15 Å
Forward intensity I(0) i0	12883000.00
Molecular weight molecular_weight	26360.0 kDa
Excluded volume excluded_volume	32910 Å³
Envelope volume envelope_volume	39051 Å³
Hydration-shell volume shell_volume	18088 Å³
Envelope diameter envelope_diameter	62.4 Å
Shell Rg shell_rg	24.20 Å
Envelope Rg envelope_rg	18.51 Å
Shape Rg shape_rg	18.16 Å
Total Rg total_rg	19.06 Å
Total atoms total_atoms	3725
Residues n_residues	240
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	62.8 Å
Rg (real space) rg_real	19.24 Å
Rg uncertainty (real space) rg_real_error	0.43 Å
I(0) (real space) i0_real	1.2880e+07
I(0) uncertainty (real space) i0_real_error	1.5540e+05
Rg (reciprocal space) rg_reciprocal	19.25 Å
I(0) (reciprocal space) i0_reciprocal	12880000.0000
Solution quality estimate total_estimate	0.8104
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	23.9 Å
Skewness Skewness skewness	0.274
Kurtosis Kurtosis kurtosis	-0.332
Angular range angular_range	— – 0.4100 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	3820000.0000
Real-space data points n_real_points	72
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.845; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.000

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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	PTS system mannitol-specific EIICBA component
Molecular weight formula_weight	16338.5 kDa
EC 编号 ec_number	2.7.1.69
Mutation mutation	H65Q
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	3725

MANLFKLGAENIFLGRKAATKEEAIRFAGEQLVKGGYVEPEYVQAMLDREKLTPTYLGESIAVPQGTVEAKDRVLKTGVVFCQYPEGVRFGEEEDDIARLVIGIAARNNEHIQVITSLTNALDDESVIERLAHTTSVDEVLELLAGRK

来源 Source

来源生物 organism	Escherichia coli
NCBI Class编号 ncbi_taxonomy_id	562
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	mannitol-specific PTS system enzyme IIABC components
Molecular weight formula_weight	11028.3 kDa
EC 编号 ec_number	2.7.1.69
Mutation mutation	C384(SEP)
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

SHVRKIIVASDAGMGSSAMGAGVLRKKIQDAGLSQISVTNSAINNLPPDVDLVITHRDLTERAMRQVPQAQHISLTNFLDSGLYTSLTERLVAAQRHTENE

来源 Source

来源生物 organism	Escherichia coli O157:H7
NCBI Class编号 ncbi_taxonomy_id	83334
宿主生物 host_organism	Escherichia coli

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d2fewa_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.112 — Phoshotransferase/anion transport protein
Superfamily Superfamily superfamily	d.112.1 — Phoshotransferase/anion transport protein
Family Family family	d.112.1.1 — IIA domain of mannitol-specific and ntr phosphotransferase EII

Domain ID domain_id	d2fewb_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.44 — Phosphotyrosine protein phosphatases I-like
Superfamily Superfamily superfamily	c.44.2 — PTS system IIB component-like
Family Family family	c.44.2.1 — PTS system, Lactose/Cellobiose specific IIB subunit

CATH v4.4 (2 domains)

Domain ID domain_id	2fewA00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	930 — Mannitol-specific EII; Chain A
Homologous superfamily homologous superfamily	10 — Mannitol-specific EII; Chain A

Domain ID domain_id	2fewB00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	2300 — Response regulator

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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	—

fit	/app/data/saxs_computation/fe/2few/2few.fit
pddf	/app/data/pr_computation/fe/2few/2few.pr.out
profile	/app/data/saxs_computation/fe/2few/2few.dat

Complex of enzyme IIAMTL and phosphorylated enzyme IIBMTL from Escherichia coli NMR, restrained regularized mean structure

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

PTS system mannitol-specific EIICBA component

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 (2)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 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)