4eow

Crystal structure of a disease-associated anti-human GM-CSF autoantibody MB007

Method: X-RAY DIFFRACTION Dmax: 84.5 Å Quality: REASONABLE

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

MB007 human IgG1 Fab fragment heavy chain

Homo sapiens

UniProt S6B291

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 H; UniProt 137–237 Not recorded MB007 IgG1 Fab fragment light chain × 1 (P0DOY2) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 3.4;277 K;19% PEG 4000, 0.1M ammonium sulphate, 0.1M sodium acetate, pH 3.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 1.97 Å R-free 0.257

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.

27 other PDB entries and 48 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name S6B291_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain H; PDBConstruct 128–228; UniProt 137–237

MB007 IgG1 Fab fragment light chain

Homo sapiens

UniProt P0DOY2

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 L; UniProt 2–106 Not recorded MB007 human IgG1 Fab fragment heavy chain × 1 (S6B291) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 3.4;277 K;19% PEG 4000, 0.1M ammonium sulphate, 0.1M sodium acetate, pH 3.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 1.97 Å R-free 0.257

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.

7 other PDB entries and 9 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name IGLC2_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain L; PDBConstruct 112–216; UniProt 2–106

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 4eow

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4eow
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4eow
Deposition date deposition_date2012-04-16
Structure title titleCrystal structure of a disease-associated anti-human GM-CSF autoantibody MB007
Keywords keywords;Immunsystem, alpha-helical stretch in CDR3-H, protein-docking, Immunoglobulin IgG1 (lambda), autoantibody causing PAP, GM-CSF, IMMUNE SYSTEM ;; IMMUNE SYSTEM
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier26.45
Radius of gyration Rg (electron density) rg_electron25.47
Forward intensity I(0) i037374700.00
Molecular weight molecular_weight46923.0 kDa
Excluded volume excluded_volume58537 ų
Envelope volume envelope_volume74810 ų
Hydration-shell volume shell_volume24855 ų
Envelope diameter envelope_diameter88.1
Shell Rg shell_rg32.49
Envelope Rg envelope_rg25.03
Shape Rg shape_rg25.46
Total Rg total_rg26.30
Total atoms total_atoms3310
Residues n_residues439
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 dmax84.5
Rg (real space) rg_real26.45
Rg uncertainty (real space) rg_real_error0.74
I(0) (real space) i0_real3.7370e+07
I(0) uncertainty (real space) i0_real_error5.5400e+05
Rg (reciprocal space) rg_reciprocal26.46
I(0) (reciprocal space) i0_reciprocal37370000.0000
Solution quality estimate total_estimate0.7435
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary26.8
Skewness Skewness skewness0.267
Kurtosis Kurtosis kurtosis-0.604
Angular range angular_range— – 0.3000 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha5342000.0000
Real-space data points n_real_points61
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.944; Stabil: 1.000; Sysdev: 0.291; Positv: 1.000; Valcen: 0.966; Smooth: 0.991

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 7 domains

SCOP 2.08 (3 domains)

Domain ID domain_idd4eowh_
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.0 — automated matches
Domain ID domain_idd4eowl1
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.0 — automated matches
Domain ID domain_idd4eowl2
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)

CATH v4.4 (4 domains)

Domain ID domain_id4eowH01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id4eowH02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id4eowL01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id4eowL02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)