6bae

Trastuzumab Fab v3 in complex with CQFDLSTRRLKC

Method: X-RAY DIFFRACTION Dmax: 84.3 Å Quality: EXCELLENT

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

Trastuzumab Fab light chain

Homo sapiens

UniProt P01834

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 × 5 PDB declaration: pentameric(5) Consistent with protein copy count Chain A; UniProt 1–107 Not recorded Trastuzumab Fab heavy chain × 1 (S6B291) Protein L × 1 (Q51918) Immunoglobulin G binding protein A × 1 (Q2UW42) meditope × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Tris pH 7.5, 24 mM NaCl, 15% PEG 3350 Resolution 2.14 Å R-free 0.224

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.

44 other PDB entries and 65 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name IGKC_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 108–214; UniProt 1–107

Trastuzumab Fab 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 × 5 PDB declaration: pentameric(5) Consistent with protein copy count Chain B; UniProt 125–239 Mutation:A175C, R217K Trastuzumab Fab light chain × 1 (P01834) Protein L × 1 (Q51918) Immunoglobulin G binding protein A × 1 (Q2UW42) meditope × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Tris pH 7.5, 24 mM NaCl, 15% PEG 3350 Resolution 2.14 Å R-free 0.224

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 2
Chains and sequence ranges Author chain B; PDBConstruct 109–223; UniProt 125–239

Protein L

Finegoldia magna

UniProt Q51918

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 × 5 PDB declaration: pentameric(5) Consistent with protein copy count Chain E; UniProt 477–537 Mutation:T17I, D38A, Y56N, T57H, I58M Trastuzumab Fab light chain × 1 (P01834) Trastuzumab Fab heavy chain × 1 (S6B291) Immunoglobulin G binding protein A × 1 (Q2UW42) meditope × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Tris pH 7.5, 24 mM NaCl, 15% PEG 3350 Resolution 2.14 Å R-free 0.224

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.

11 other PDB entries and 12 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name Q51918_FINMA
Isoform
PDB entities 3
Chains and sequence ranges Author chain E; PDBConstruct 4–64; UniProt 477–537

Immunoglobulin G binding protein A

Staphylococcus aureus

UniProt Q2UW42

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 × 5 PDB declaration: pentameric(5) Consistent with protein copy count Chain C; UniProt 74–124 Not recorded Trastuzumab Fab light chain × 1 (P01834) Trastuzumab Fab heavy chain × 1 (S6B291) Protein L × 1 (Q51918) meditope × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Tris pH 7.5, 24 mM NaCl, 15% PEG 3350 Resolution 2.14 Å R-free 0.224

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 7 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name Q2UW42_STAAU
Isoform
PDB entities 4
Chains and sequence ranges Author chain C; PDBConstruct 4–54; UniProt 74–124

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 6bae

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6bae
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6bae
Deposition date deposition_date2017-10-12
Structure title titleTrastuzumab Fab v3 in complex with CQFDLSTRRLKC
Keywords keywordsmonoclonal antibody, Fab, meditope, 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_guinier27.20
Radius of gyration Rg (electron density) rg_electron26.29
Forward intensity I(0) i065011500.00
Molecular weight molecular_weight61475.0 kDa
Excluded volume excluded_volume76235 ų
Envelope volume envelope_volume93926 ų
Hydration-shell volume shell_volume29867 ų
Envelope diameter envelope_diameter91.2
Shell Rg shell_rg33.54
Envelope Rg envelope_rg26.31
Shape Rg shape_rg26.27
Total Rg total_rg27.06
Total atoms total_atoms4325
Residues n_residues566
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 dmax84.3
Rg (real space) rg_real27.11
Rg uncertainty (real space) rg_real_error0.56
I(0) (real space) i0_real6.5010e+07
I(0) uncertainty (real space) i0_real_error1.0090e+06
Rg (reciprocal space) rg_reciprocal27.14
I(0) (reciprocal space) i0_reciprocal65010000.0000
Solution quality estimate total_estimate0.9119
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary30.5
Skewness Skewness skewness0.191
Kurtosis Kurtosis kurtosis-0.616
Angular range angular_range— – 0.2900 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha11910000.0000
Real-space data points n_real_points59
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.960; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.970

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 5 domains

CATH v4.4 (5 domains)

Domain ID domain_id6baeA01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6baeA02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6baeB02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6baeC00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily420 — Immunoglobulin FC, subunit C
Domain ID domain_id6baeE00
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily10

8. Citations (1)

9. Files and Curves (10)