5vsi

CH1/Ckappa Fab mutant 15.1

Method: X-RAY DIFFRACTION Dmax: 79.0 Å Quality: EXCELLENT

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

CH1/Ckappa Fab heavy chain

Homo sapiens

UniProt Q6GMX6

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 122–235 Non-standard monomer:Yes (specific site not provided by mmCIF) CH1/Ckappa Fab light chain × 1 (Q7Z3Y4) SO4 SULFATE ION × 5 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION;294 K;see publication Resolution 1.51 Å R-free 0.227

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.

18 other PDB entries and 34 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name Q6GMX6_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain H; PDBConstruct 108–221; UniProt 122–235

CH1/Ckappa Fab light chain

Homo sapiens

UniProt Q7Z3Y4

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 130–235 Not recorded CH1/Ckappa Fab heavy chain × 1 (Q6GMX6) SO4 SULFATE ION × 5 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION;294 K;see publication Resolution 1.51 Å R-free 0.227

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.

15 other PDB entries and 17 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name Q7Z3Y4_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain L; PDBConstruct 107–212; UniProt 130–235

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 5vsi

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5vsi
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2. Structure Basics 2. Structure Basics

Entry ID entry_id5vsi
Deposition date deposition_date2017-05-11
Structure title titleCH1/Ckappa Fab mutant 15.1
Keywords keywordsbispecific antibody, computational design, heavy chain/light chain interface, CH1/Ckappa interface, 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_guinier25.09
Radius of gyration Rg (electron density) rg_electron24.02
Forward intensity I(0) i039586400.00
Molecular weight molecular_weight47254.0 kDa
Excluded volume excluded_volume58412 ų
Envelope volume envelope_volume72163 ų
Hydration-shell volume shell_volume25188 ų
Envelope diameter envelope_diameter82.0
Shell Rg shell_rg31.00
Envelope Rg envelope_rg23.80
Shape Rg shape_rg24.00
Total Rg total_rg24.86
Total atoms total_atoms3319
Residues n_residues432
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 dmax79.0
Rg (real space) rg_real25.06
Rg uncertainty (real space) rg_real_error0.47
I(0) (real space) i0_real3.9590e+07
I(0) uncertainty (real space) i0_real_error5.4440e+05
Rg (reciprocal space) rg_reciprocal25.07
I(0) (reciprocal space) i0_reciprocal39590000.0000
Solution quality estimate total_estimate0.9068
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary28.8
Skewness Skewness skewness0.273
Kurtosis Kurtosis kurtosis-0.484
Angular range angular_range— – 0.3150 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha8286000.0000
Real-space data points n_real_points64
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.949; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.949

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 5 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd5vsil1
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_idd5vsil2
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 (3 domains)

Domain ID domain_id5vsiH02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vsiL01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vsiL02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)