3eze

COMPLEX OF THE AMINO TERMINAL DOMAIN OF ENZYME I AND THE HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE

Method: SOLUTION NMR Dmax: 82.5 Å Quality: GOOD

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

PROTEIN (PHOSPHOTRANSFERASE SYSTEM, ENZYME I)

Escherichia coli

UniProt P08839

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 1–259 Fragment:AMINO-TERMINAL DOMAIN RESIDUES 1 - 259 PROTEIN (PHOSPHOTRANSFERASE SYSTEM, HPR) × 1 (P0AA04) PO3 PHOSPHITE ION × 1 SOLUTION NMR NMR measurement conditions:pH 7;313 K 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.

16 other PDB entries and 16 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PT1_ECOLI
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–259; UniProt 1–259

PROTEIN (PHOSPHOTRANSFERASE SYSTEM, HPR)

Escherichia coli

UniProt P0AA04

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 B; UniProt 1–85 Not recorded PROTEIN (PHOSPHOTRANSFERASE SYSTEM, ENZYME I) × 1 (P08839) PO3 PHOSPHITE ION × 1 SOLUTION NMR NMR measurement conditions:pH 7;313 K 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.

22 other PDB entries and 28 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PTHP_ECOLI
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–85; UniProt 1–85

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.

SAXS scattering curve SAXS Profile

SAXS profile for 3eze

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3eze
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3eze
Deposition date deposition_date1998-11-04
Structure title titleCOMPLEX OF THE AMINO TERMINAL DOMAIN OF ENZYME I AND THE HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE
Keywords keywordsPHOSPHOTRANSFERASE, TRANSFERASE, KINASE, SUGAR TRANSPORT; TRANSFERASE
Experimental Method methodSOLUTION NMR

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

Radius of gyration Rg (Guinier) rg_guinier24.06
Radius of gyration Rg (electron density) rg_electron23.16
Forward intensity I(0) i023308700.00
Molecular weight molecular_weight36353.0 kDa
Excluded volume excluded_volume45582 ų
Envelope volume envelope_volume59284 ų
Hydration-shell volume shell_volume22438 ų
Envelope diameter envelope_diameter84.8
Shell Rg shell_rg29.01
Envelope Rg envelope_rg23.46
Shape Rg shape_rg23.15
Total Rg total_rg23.99
Total atoms total_atoms5150
Residues n_residues334
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

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

Maximum dimension Dmax dmax82.5
Rg (real space) rg_real24.13
Rg uncertainty (real space) rg_real_error0.66
I(0) (real space) i0_real2.3310e+07
I(0) uncertainty (real space) i0_real_error3.7040e+05
Rg (reciprocal space) rg_reciprocal24.11
I(0) (reciprocal space) i0_reciprocal23310000.0000
Solution quality estimate total_estimate0.8693
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary25.8
Skewness Skewness skewness0.439
Kurtosis Kurtosis kurtosis-0.196
Angular range angular_range— – 0.3300 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha6474000.0000
Real-space data points n_real_points65
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.807; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.923; Smooth: 0.953

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

Domain ID domain_idd3ezea1
Class classa — All alpha proteins
Fold Fold folda.60 — SAM domain-like
Superfamily Superfamily superfamilya.60.10 — Enzyme I of the PEP:sugar phosphotransferase system HPr-binding (sub)domain
Family Family familya.60.10.1 — Enzyme I of the PEP:sugar phosphotransferase system HPr-binding (sub)domain
Domain ID domain_idd3ezea2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.8 — The 'swivelling' beta/beta/alpha domain
Superfamily Superfamily superfamilyc.8.1 — Phosphohistidine domain
Family Family familyc.8.1.2 — N-terminal domain of enzyme I of the PEP:sugar phosphotransferase system
Domain ID domain_idd3ezeb_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.94 — HPr-like
Superfamily Superfamily superfamilyd.94.1 — HPr-like
Family Family familyd.94.1.1 — HPr-like

CATH v4.4 (3 domains)

Domain ID domain_id3ezeA01
Class class3 — Alpha Beta
Architecture architecture50 — 3-Layer(bba) Sandwich
Topology topology30 — Glucose Oxidase; domain 1
Homologous superfamily homologous superfamily10 — Phosphohistidine domain
Domain ID domain_id3ezeA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology274 — Enzyme I; Chain A, domain 2
Homologous superfamily homologous superfamily10 — PtsI, HPr-binding domain
Domain ID domain_id3ezeB00
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology1340 — Histidine-containing Protein; Chain: A;
Homologous superfamily homologous superfamily10 — HPr-like

8. Citations (4)

9. Files and Curves (10)