1l5g

CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN AVB3 IN COMPLEX WITH AN ARG-GLY-ASP LIGAND

Method: X-RAY DIFFRACTION Dmax: 129.4 Å Quality: GOOD

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

INTEGRIN BETA-3

Homo sapiens

UniProt P05106

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 × 3 其他Polymer 7 PDB declaration: trimeric(3) Consistent with protein copy count Chain B; UniProt 27–718 Fragment:Beta 3 subunit polypeptide (CD61), Residues 27-718 INTEGRIN ALPHA V × 1 CYCLIC ARG-GLY-ASP PEPTIDE × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 4 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 MN MANGANESE (II) ION × 8 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;298 K;PEG 4000, MES, calcium chloride followed by soaking of peptide in manganese chloride buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 3.20 Å R-free 0.328

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.

124 other PDB entries and 176 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ITB3_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–692; UniProt 27–718

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 1l5g

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1l5g
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1l5g
Deposition date deposition_date2002-03-06
Structure title titleCRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN AVB3 IN COMPLEX WITH AN ARG-GLY-ASP LIGAND
Keywords keywords;GENU, HYBRID DOMAIN, BETA-TAIL DOMAIN, PSI DOMAIN, EGF DOMAIN, MIDAS, ADMIDAS, LIMBS, CAGE MOTIF, PROPELLER, A-DOMAIN, THIGH DOMAIN, CALF DOMAIN, RGD LIGAND, CELL ADHESION ;; CELL ADHESION
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier40.10
Radius of gyration Rg (electron density) rg_electron39.66
Forward intensity I(0) i0439968000.00
Molecular weight molecular_weight167190.0 kDa
Excluded volume excluded_volume207540 ų
Envelope volume envelope_volume286920 ų
Hydration-shell volume shell_volume60507 ų
Envelope diameter envelope_diameter138.6
Shell Rg shell_rg45.32
Envelope Rg envelope_rg38.80
Shape Rg shape_rg39.65
Total Rg total_rg40.01
Total atoms total_atoms11700
Residues n_residues1470
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 dmax129.4
Rg (real space) rg_real39.99
Rg uncertainty (real space) rg_real_error1.34
I(0) (real space) i0_real4.4000e+08
I(0) uncertainty (real space) i0_real_error8.2950e+06
Rg (reciprocal space) rg_reciprocal40.10
I(0) (reciprocal space) i0_reciprocal440000000.0000
Solution quality estimate total_estimate0.8970
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary53.1
Skewness Skewness skewness0.183
Kurtosis Kurtosis kurtosis-0.474
Angular range angular_range— – 0.1950 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha51050000.0000
Real-space data points n_real_points40
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.914; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.919

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

7. Fold Classification (SCOP + CATH) 17 domains

SCOP 2.08 (9 domains)

Domain ID domain_idd1l5ga1
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.15 — Integrin domains
Family Family familyb.1.15.1 — Integrin domains
Domain ID domain_idd1l5ga2
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.15 — Integrin domains
Family Family familyb.1.15.1 — Integrin domains
Domain ID domain_idd1l5ga3
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.15 — Integrin domains
Family Family familyb.1.15.1 — Integrin domains
Domain ID domain_idd1l5ga4
Class classb — All beta proteins
Fold Fold foldb.69 — 7-bladed beta-propeller
Superfamily Superfamily superfamilyb.69.8 — Integrin alpha N-terminal domain
Family Family familyb.69.8.1 — Integrin alpha N-terminal domain
Domain ID domain_idd1l5gb1
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.15 — Integrin domains
Family Family familyb.1.15.1 — Integrin domains
Domain ID domain_idd1l5gb2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.62 — vWA-like
Superfamily Superfamily superfamilyc.62.1 — vWA-like
Family Family familyc.62.1.1 — Integrin A (or I) domain
Domain ID domain_idd1l5gb3
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.200 — Integrin beta tail domain
Superfamily Superfamily superfamilyd.200.1 — Integrin beta tail domain
Family Family familyd.200.1.1 — Integrin beta tail domain
Domain ID domain_idd1l5gb4
Class classg — Small proteins
Fold Fold foldg.3 — Knottins (small inhibitors, toxins, lectins)
Superfamily Superfamily superfamilyg.3.11 — EGF/Laminin
Family Family familyg.3.11.6 — Integrin beta EGF-like domains
Domain ID domain_idd1l5gb5
Class classg — Small proteins
Fold Fold foldg.3 — Knottins (small inhibitors, toxins, lectins)
Superfamily Superfamily superfamilyg.3.11 — EGF/Laminin
Family Family familyg.3.11.6 — Integrin beta EGF-like domains

CATH v4.4 (8 domains)

Domain ID domain_id1l5gA01
Class class2 — Mainly Beta
Architecture architecture130 — 7 Propeller
Topology topology10 — Methylamine Dehydrogenase; Chain H
Homologous superfamily homologous superfamily130 — Integrin alpha, N-terminal
Domain ID domain_id1l5gA02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily1460 — Integrin domains. Chain A, domain 2
Domain ID domain_id1l5gA03
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily1510 — ntegrin, alpha v. Chain A, domain 3
Domain ID domain_id1l5gA04
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily1530 — ntegrin, alpha v. Chain A, domain 4
Domain ID domain_id1l5gB01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily1510 — ntegrin, alpha v. Chain A, domain 3
Domain ID domain_id1l5gB02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily410 — von Willebrand factor, type A domain
Domain ID domain_id1l5gB03
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology25 — Laminin
Homologous superfamily homologous superfamily10 — Laminin
Domain ID domain_id1l5gB04
Class class4 — Few Secondary Structures
Architecture architecture10 — Irregular
Topology topology1240 — Hormone receptor fold
Homologous superfamily homologous superfamily30

8. Citations (1)

9. Files and Curves (10)