6uta

Crystal structure of Z004 iGL Fab in complex with ZIKV EDIII

Method: X-RAY DIFFRACTION Dmax: 119.7 Å Quality: GOOD

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

Z004 iGL Fab heavy chain

Homo sapiens

UniProt S6C4S0

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 129–249 Not recorded Z004 iGL Fab light chain × 1 (P0DOX7) Env × 1 (A0A1X9PPI0) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;% w/v tryptone, 0.001 M sodium azide, 0.05 M HEPES sodium pH 7.0, 20% w/v polyethylene glycol 3,350 Resolution 3.10 Å R-free 0.291
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain A; UniProt 129–249 Not recorded Z004 iGL Fab light chain × 1 (P0DOX7) Env × 1 (A0A1X9PPI0) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;% w/v tryptone, 0.001 M sodium azide, 0.05 M HEPES sodium pH 7.0, 20% w/v polyethylene glycol 3,350 Resolution 3.10 Å R-free 0.291

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.

8 other PDB entries and 14 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name S6C4S0_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 109–229; UniProt 129–249 Author chain H; PDBConstruct 109–229; UniProt 129–249

Z004 iGL 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 Z004 iGL Fab heavy chain × 1 (S6C4S0) Env × 1 (A0A1X9PPI0) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;% w/v tryptone, 0.001 M sodium azide, 0.05 M HEPES sodium pH 7.0, 20% w/v polyethylene glycol 3,350 Resolution 3.10 Å R-free 0.291
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain B; UniProt 109–214 Not recorded Z004 iGL Fab heavy chain × 1 (S6C4S0) Env × 1 (A0A1X9PPI0) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;% w/v tryptone, 0.001 M sodium azide, 0.05 M HEPES sodium pH 7.0, 20% w/v polyethylene glycol 3,350 Resolution 3.10 Å R-free 0.291

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 109–214; UniProt 109–214 Author chain L; PDBConstruct 109–214; UniProt 109–214

Env

Zika virus ZIKV/H. sapiens/FrenchPolynesia/10087PF/2013

UniProt A0A1X9PPI0

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 299–407 Not recorded Z004 iGL Fab heavy chain × 1 (S6C4S0) Z004 iGL Fab light chain × 1 (P0DOX7) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;% w/v tryptone, 0.001 M sodium azide, 0.05 M HEPES sodium pH 7.0, 20% w/v polyethylene glycol 3,350 Resolution 3.10 Å R-free 0.291
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain C; UniProt 299–407 Not recorded Z004 iGL Fab heavy chain × 1 (S6C4S0) Z004 iGL Fab light chain × 1 (P0DOX7) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;% w/v tryptone, 0.001 M sodium azide, 0.05 M HEPES sodium pH 7.0, 20% w/v polyethylene glycol 3,350 Resolution 3.10 Å R-free 0.291

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.

1 other PDB entries and 2 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name A0A1X9PPI0_ZIKV
Isoform
PDB entities 3
Chains and sequence ranges Author chain C; PDBConstruct 2–110; UniProt 299–407 Author chain E; PDBConstruct 2–110; UniProt 299–407

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 6uta

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id6uta
Deposition date deposition_date2019-10-29
Structure title titleCrystal structure of Z004 iGL Fab in complex with ZIKV EDIII
Keywords keywordsVIRAL PROTEIN; VIRAL PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier36.55
Radius of gyration Rg (electron density) rg_electron36.15
Forward intensity I(0) i0204673000.00
Molecular weight molecular_weight114220.0 kDa
Excluded volume excluded_volume142590 ų
Envelope volume envelope_volume195050 ų
Hydration-shell volume shell_volume46000 ų
Envelope diameter envelope_diameter130.7
Shell Rg shell_rg41.64
Envelope Rg envelope_rg35.44
Shape Rg shape_rg36.12
Total Rg total_rg36.62
Total atoms total_atoms8038
Residues n_residues1043
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 dmax119.7
Rg (real space) rg_real36.54
Rg uncertainty (real space) rg_real_error1.17
I(0) (real space) i0_real2.0470e+08
I(0) uncertainty (real space) i0_real_error3.9700e+06
Rg (reciprocal space) rg_reciprocal36.55
I(0) (reciprocal space) i0_reciprocal204700000.0000
Solution quality estimate total_estimate0.8887
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary44.5
Skewness Skewness skewness0.309
Kurtosis Kurtosis kurtosis-0.277
Angular range angular_range— – 0.2150 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha15580000.0000
Real-space data points n_real_points44
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.908; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.832

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 18 domains

SCOP 2.08 (8 domains)

Domain ID domain_idd6utaa_
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_idd6utab1
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_idd6utab2
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_idd6utac_
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_idd6utae_
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_idd6utah_
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_idd6utal1
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_idd6utal2
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 (10 domains)

Domain ID domain_id6utaA01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6utaA02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6utaB01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6utaB02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6utaC00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily350
Domain ID domain_id6utaE00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily350
Domain ID domain_id6utaH01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6utaH02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6utaL01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6utaL02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)