5vic

Crystal structure of anti-Zika antibody Z004 bound to DENV-1 Envelope protein DIII

Method: X-RAY DIFFRACTION Dmax: 100.9 Å Quality: GOOD

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

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 × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain H; UniProt 126–242 Not recorded Fab light chain × 1 (P0DOX7) Dengue 1 Envelope DIII domain × 1 (P17763) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 4.5;295 K;0.1M sodium acetate trihydrate pH 4.5, 30% w/v PEG 1500 Resolution 3.00 Å R-free 0.286

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 112–228; UniProt 126–242

Fab light chain

Homo sapiens

UniProt P0DOX7

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 × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain L; UniProt 109–214 Not recorded Fab heavy chain × 1 (S6B291) Dengue 1 Envelope DIII domain × 1 (P17763) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 4.5;295 K;0.1M sodium acetate trihydrate pH 4.5, 30% w/v PEG 1500 Resolution 3.00 Å R-free 0.286

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 28 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name IGK_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain L; PDBConstruct 109–214; UniProt 109–214

Dengue 1 Envelope DIII domain

Dengue virus type 1 (strain Nauru/West Pac/1974)

UniProt P17763

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 × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain E; UniProt 578–676 Not recorded Fab heavy chain × 1 (S6B291) Fab light chain × 1 (P0DOX7) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 4.5;295 K;0.1M sodium acetate trihydrate pH 4.5, 30% w/v PEG 1500 Resolution 3.00 Å R-free 0.286

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 13 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name POLG_DEN1W
Isoform
PDB entities 3
Chains and sequence ranges Author chain E; PDBConstruct 1–99; UniProt 578–676

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 5vic

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id5vic
Deposition date deposition_date2017-04-14
Structure title titleCrystal structure of anti-Zika antibody Z004 bound to DENV-1 Envelope protein DIII
Keywords keywordsantibody, Fab, Zika, Dengue, recurrent, neutralizing, 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_guinier28.03
Radius of gyration Rg (electron density) rg_electron27.79
Forward intensity I(0) i050535300.00
Molecular weight molecular_weight55435.0 kDa
Excluded volume excluded_volume69340 ų
Envelope volume envelope_volume88663 ų
Hydration-shell volume shell_volume28067 ų
Envelope diameter envelope_diameter107.9
Shell Rg shell_rg33.29
Envelope Rg envelope_rg27.98
Shape Rg shape_rg27.77
Total Rg total_rg28.41
Total atoms total_atoms7736
Residues n_residues504
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 dmax100.9
Rg (real space) rg_real28.26
Rg uncertainty (real space) rg_real_error0.98
I(0) (real space) i0_real5.0540e+07
I(0) uncertainty (real space) i0_real_error7.8170e+05
Rg (reciprocal space) rg_reciprocal28.19
I(0) (reciprocal space) i0_reciprocal50530000.0000
Solution quality estimate total_estimate0.8406
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary30.1
Skewness Skewness skewness0.571
Kurtosis Kurtosis kurtosis0.017
Angular range angular_range— – 0.2850 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha11920000.0000
Real-space data points n_real_points58
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.711; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.818; Smooth: 0.972

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd5vice_
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.18 — E set domains
Family Family familyb.1.18.0 — automated matches
Domain ID domain_idd5vich_
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.1 — V set domains (antibody variable domain-like)
Domain ID domain_idd5vicl1
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_idd5vicl2
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_id5vicE00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily350
Domain ID domain_id5vicH02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vicL01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vicL02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)