5vig

Crystal structure of anti-Zika antibody Z006 bound to Zika virus envelope protein DIII

Method: X-RAY DIFFRACTION Dmax: 114.5 Å Quality: EXCELLENT

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 129–242 Not recorded Fab light chain × 1 (P0DOX7) Zika virus envelope protein DIII × 1 (A0A1I9ZK43) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;10% isopropanol, 0.1M sodium citrate tribasic dihydrate pH 5.0, 26% PEG 400 Resolution 3.00 Å R-free 0.257
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain A; UniProt 129–242 Not recorded Fab light chain × 1 (P0DOX7) Zika virus envelope protein DIII × 1 (A0A1I9ZK43) FLC CITRATE ANION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;10% isopropanol, 0.1M sodium citrate tribasic dihydrate pH 5.0, 26% PEG 400 Resolution 3.00 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 47 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 A; PDBConstruct 113–226; UniProt 129–242 Author chain H; PDBConstruct 113–226; UniProt 129–242

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) Zika virus envelope protein DIII × 1 (A0A1I9ZK43) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;10% isopropanol, 0.1M sodium citrate tribasic dihydrate pH 5.0, 26% PEG 400 Resolution 3.00 Å R-free 0.257
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain B; UniProt 109–214 Not recorded Fab heavy chain × 1 (S6B291) Zika virus envelope protein DIII × 1 (A0A1I9ZK43) FLC CITRATE ANION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;10% isopropanol, 0.1M sodium citrate tribasic dihydrate pH 5.0, 26% PEG 400 Resolution 3.00 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.

18 other PDB entries and 27 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 B; PDBConstruct 108–213; UniProt 109–214 Author chain L; PDBConstruct 108–213; UniProt 109–214

Zika virus envelope protein DIII

Zika virus

UniProt A0A1I9ZK43

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 Z; UniProt 589–697 Not recorded Fab heavy chain × 1 (S6B291) Fab light chain × 1 (P0DOX7) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;10% isopropanol, 0.1M sodium citrate tribasic dihydrate pH 5.0, 26% PEG 400 Resolution 3.00 Å R-free 0.257
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain G; UniProt 589–697 Not recorded Fab heavy chain × 1 (S6B291) Fab light chain × 1 (P0DOX7) FLC CITRATE ANION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5;295 K;10% isopropanol, 0.1M sodium citrate tribasic dihydrate pH 5.0, 26% PEG 400 Resolution 3.00 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.

No other PDB entry for the same UniProt protein was found.

View Construct and Data Evidence
UniProt name A0A1I9ZK43_ZIKV
Isoform
PDB entities 3
Chains and sequence ranges Author chain G; PDBConstruct 2–110; UniProt 589–697 Author chain Z; PDBConstruct 2–110; UniProt 589–697

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 5vig

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id5vig
Deposition date deposition_date2017-04-16
Structure title titleCrystal structure of anti-Zika antibody Z006 bound to Zika virus 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_guinier36.03
Radius of gyration Rg (electron density) rg_electron35.57
Forward intensity I(0) i0199283000.00
Molecular weight molecular_weight112300.0 kDa
Excluded volume excluded_volume139900 ų
Envelope volume envelope_volume184450 ų
Hydration-shell volume shell_volume44467 ų
Envelope diameter envelope_diameter116.6
Shell Rg shell_rg40.96
Envelope Rg envelope_rg35.14
Shape Rg shape_rg35.56
Total Rg total_rg35.97
Total atoms total_atoms7905
Residues n_residues1036
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 dmax114.5
Rg (real space) rg_real35.98
Rg uncertainty (real space) rg_real_error0.70
I(0) (real space) i0_real1.9930e+08
I(0) uncertainty (real space) i0_real_error3.1640e+06
Rg (reciprocal space) rg_reciprocal36.02
I(0) (reciprocal space) i0_reciprocal199300000.0000
Solution quality estimate total_estimate0.9021
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary41.6
Skewness Skewness skewness0.224
Kurtosis Kurtosis kurtosis-0.591
Angular range angular_range— – 0.2200 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha18690000.0000
Real-space data points n_real_points45
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.959; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.851

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 18 domains

SCOP 2.08 (8 domains)

Domain ID domain_idd5viga_
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_idd5vigb1
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_idd5vigb2
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)
Domain ID domain_idd5vigg_
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.18 — E set domains
Family Family familyb.1.18.4 — Class II viral fusion proteins C-terminal domain
Domain ID domain_idd5vigh_
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_idd5vigl1
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_idd5vigl2
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)
Domain ID domain_idd5vigz_
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.18 — E set domains
Family Family familyb.1.18.4 — Class II viral fusion proteins C-terminal domain

CATH v4.4 (10 domains)

Domain ID domain_id5vigA01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vigA02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vigB01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vigB02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vigG00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily350
Domain ID domain_id5vigH01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vigH02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vigL01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vigL02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vigZ00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily350

8. Citations (1)

9. Files and Curves (10)