2bi6

NMR STUDY OF BROMELAIN INHIBITOR VI FROM PINEAPPLE STEM

Method: SOLUTION NMR Dmax: 38.2 Å Quality: GOOD

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

BROMELAIN INHIBITOR VI

OrganismNot specified

UniProt P27478

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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain H; UniProt 12–52 Chain L; UniProt 1–11 Not recorded No other associated polymer SOLUTION NMR mmCIF provides none of the parsed experimental conditions 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.

1 other PDB entries and 1 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name IBR2_ANACO
Isoform
PDB entities 1, 2
Chains and sequence ranges Author chain L; PDBConstruct 1–11; UniProt 1–11 Author chain H; PDBConstruct 1–41; UniProt 12–52

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 2bi6

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2bi6
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2bi6
Deposition date deposition_date1995-12-07
Structure title titleNMR STUDY OF BROMELAIN INHIBITOR VI FROM PINEAPPLE STEM
Keywords keywordsCYSTEINE PROTEASE INHIBITOR; CYSTEINE PROTEASE INHIBITOR
Experimental Method methodSOLUTION NMR

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

Radius of gyration Rg (Guinier) rg_guinier10.71
Radius of gyration Rg (electron density) rg_electron11.04
Forward intensity I(0) i0177714000.00
Molecular weight molecular_weight105800.0 kDa
Excluded volume excluded_volume129470 ų
Envelope volume envelope_volume13088 ų
Hydration-shell volume shell_volume9204 ų
Envelope diameter envelope_diameter43.0
Shell Rg shell_rg17.76
Envelope Rg envelope_rg13.06
Shape Rg shape_rg11.09
Total Rg total_rg11.08
Total atoms total_atoms14004
Residues n_residues936
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 dmax38.2
Rg (real space) rg_real10.79
Rg uncertainty (real space) rg_real_error0.40
I(0) (real space) i0_real1.7770e+08
I(0) uncertainty (real space) i0_real_error2.0380e+06
Rg (reciprocal space) rg_reciprocal10.78
I(0) (reciprocal space) i0_reciprocal177700000.0000
Solution quality estimate total_estimate0.8303
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary10.6
Skewness Skewness skewness0.469
Kurtosis Kurtosis kurtosis-0.327
Angular range angular_range— – 0.5000 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha57760.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.722; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.659; Smooth: 0.967

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (2)

7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd2bi6.2
Class classg — Small proteins
Fold Fold foldg.3 — Knottins (small inhibitors, toxins, lectins)
Superfamily Superfamily superfamilyg.3.12 — Bromelain inhibitor VI (cysteine protease inhibitor)
Family Family familyg.3.12.1 — Bromelain inhibitor VI (cysteine protease inhibitor)
Domain ID domain_idd2bi6h1
Class classg — Small proteins
Fold Fold foldg.3 — Knottins (small inhibitors, toxins, lectins)
Superfamily Superfamily superfamilyg.3.12 — Bromelain inhibitor VI (cysteine protease inhibitor)
Family Family familyg.3.12.1 — Bromelain inhibitor VI (cysteine protease inhibitor)

CATH v4.4 (1 domains)

Domain ID domain_id2bi6H00
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology69 — Cysteine Protease (Bromelain) Inhibitor, subunit H
Homologous superfamily homologous superfamily10 — Cysteine Protease (Bromelain) Inhibitor, subunit H

8. Citations (2)

9. Files and Curves (10)