2b4c

Crystal structure of HIV-1 JR-FL gp120 core protein containing the third variable region (V3) complexed with CD4 and the X5 antibody

Method: X-RAY DIFFRACTION Dmax: 131.0 Å Quality: GOOD

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

T-cell surface glycoprotein CD4

Homo sapiens

UniProt P01730

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Other combination Heteromer Protein × 4 其他Polymer 1 PDB declaration: tetrameric(4) Consistent with protein copy count Chain C; UniProt 26–206 Fragment:D1D2, N-TERMINAL TWO DOMAIN FRAGMENT envelope glycoprotein × 1 anti-HIV-1 gp120 immunoglobulin X5 light chain × 1 anti-HIV-1 gp120 immunoglobulin X5 heavy chain × 1 alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 SO4 SULFATE ION × 5 XYL Xylitol × 3 X-RAY DIFFRACTION X-ray crystallization conditions:pH 5.5;293 K;ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 5.50 Resolution 3.30 Å R-free 0.349
2 Other combination Heteromer Protein × 16 其他Polymer 4 PDB declaration: hexadecameric(16) Consistent with protein copy count Chain C; UniProt 26–206 Fragment:D1D2, N-TERMINAL TWO DOMAIN FRAGMENT envelope glycoprotein × 4 anti-HIV-1 gp120 immunoglobulin X5 light chain × 4 anti-HIV-1 gp120 immunoglobulin X5 heavy chain × 4 alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 12 SO4 SULFATE ION × 20 XYL Xylitol × 12 X-RAY DIFFRACTION X-ray crystallization conditions:pH 5.5;293 K;ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 5.50 Resolution 3.30 Å R-free 0.349

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.

78 other PDB entries and 98 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CD4_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain C; PDBConstruct 1–181; UniProt 26–206

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 2b4c

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2b4c
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2b4c
Deposition date deposition_date2005-09-23
Structure title titleCrystal structure of HIV-1 JR-FL gp120 core protein containing the third variable region (V3) complexed with CD4 and the X5 antibody
Keywords keywordsHIV-1, gp120, JRFL, V3, X5, CD4 induced antibody, Viral protein-Immune system COMPLEX; Viral protein/Immune system
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier38.02
Radius of gyration Rg (electron density) rg_electron38.02
Forward intensity I(0) i0186877000.00
Molecular weight molecular_weight107190.0 kDa
Excluded volume excluded_volume132890 ų
Envelope volume envelope_volume190700 ų
Hydration-shell volume shell_volume43460 ų
Envelope diameter envelope_diameter140.3
Shell Rg shell_rg42.27
Envelope Rg envelope_rg37.63
Shape Rg shape_rg37.98
Total Rg total_rg38.40
Total atoms total_atoms7517
Residues n_residues944
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 dmax131.0
Rg (real space) rg_real38.22
Rg uncertainty (real space) rg_real_error1.62
I(0) (real space) i0_real1.8690e+08
I(0) uncertainty (real space) i0_real_error3.5790e+06
Rg (reciprocal space) rg_reciprocal38.10
I(0) (reciprocal space) i0_reciprocal186900000.0000
Solution quality estimate total_estimate0.8693
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary37.4
Skewness Skewness skewness0.420
Kurtosis Kurtosis kurtosis-0.387
Angular range angular_range— – 0.2100 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha21480000.0000
Real-space data points n_real_points43
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.834; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.930; Smooth: 0.866

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (8)

7. Fold Classification (SCOP + CATH) 14 domains

SCOP 2.08 (7 domains)

Domain ID domain_idd2b4cc1
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_idd2b4cc2
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.3 — C2 set domains
Domain ID domain_idd2b4cg1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.172 — gp120 core
Superfamily Superfamily superfamilyd.172.1 — gp120 core
Family Family familyd.172.1.1 — gp120 core
Domain ID domain_idd2b4ch1
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_idd2b4ch2
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_idd2b4cl1
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_idd2b4cl2
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 (7 domains)

Domain ID domain_id2b4cC01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id2b4cC02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id2b4cG00
Class class2 — Mainly Beta
Architecture architecture170 — Beta Complex
Topology topology40 — HIV Envelope Protein Gp120; Chain G
Homologous superfamily homologous superfamily20 — Human immunodeficiency virus 1, Gp160, envelope glycoprotein
Domain ID domain_id2b4cH01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id2b4cH02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id2b4cL01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id2b4cL02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)