4ui2

Crystal structure of the ternary RGMB-BMP2-NEO1 complex

Method: X-RAY DIFFRACTION Dmax: 113.4 Å Quality: GOOD

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

NEOGENIN

HOMO SAPIENS

UniProt P97798

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 × 8 其他Polymer 2 PDB declaration: octameric(8) Consistent with protein copy count Chain A; UniProt 883–1133 Fragment:5TH AND 6TH FN TYPE 3 LIKE DOMAINS BONE MORPHOGENETIC PROTEIN 2, BMP2 × 2 (P12643) REPULSIVE GUIDANCE MOLECULE C, RGMC, HEMOJUVELIN × 2 (Q6NW40) REPULSIVE GUIDANCE MOLECULE C, RGMC, HEMOJUVELIN × 2 (Q6NW40) beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SRT S,R MESO-TARTARIC ACID × 6 ACT ACETATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:pH 8.5;0.1 M TRIS-HCL PH 8.5, 1.5 M AMMONIUM SULPHATE, 12% (V/V) GLYCEROL Resolution 3.15 Å R-free 0.236

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 17 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name NEO1_MOUSE
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 4–254; UniProt 883–1133

BONE MORPHOGENETIC PROTEIN 2, BMP2

HOMO SAPIENS

UniProt P12643

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 × 8 其他Polymer 2 PDB declaration: octameric(8) Consistent with protein copy count Chain B; UniProt 283–396 Fragment:C-TERMINAL DOMAIN SIGNALING DOMAIN NEOGENIN × 2 (P97798) REPULSIVE GUIDANCE MOLECULE C, RGMC, HEMOJUVELIN × 2 (Q6NW40) REPULSIVE GUIDANCE MOLECULE C, RGMC, HEMOJUVELIN × 2 (Q6NW40) beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SRT S,R MESO-TARTARIC ACID × 6 ACT ACETATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:pH 8.5;0.1 M TRIS-HCL PH 8.5, 1.5 M AMMONIUM SULPHATE, 12% (V/V) GLYCEROL Resolution 3.15 Å R-free 0.236

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.

19 other PDB entries and 26 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name BMP2_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–114; UniProt 283–396

REPULSIVE GUIDANCE MOLECULE C, RGMC, HEMOJUVELIN

HOMO SAPIENS

UniProt Q6NW40

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 × 8 其他Polymer 2 PDB declaration: octameric(8) Consistent with protein copy count Chain C; UniProt 50–168 Chain D; UniProt 169–410 Fragment:RESIDUES 50-168 Fragment:RESIDUES 169-240 NEOGENIN × 2 (P97798) BONE MORPHOGENETIC PROTEIN 2, BMP2 × 2 (P12643) beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SRT S,R MESO-TARTARIC ACID × 6 ACT ACETATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:pH 8.5;0.1 M TRIS-HCL PH 8.5, 1.5 M AMMONIUM SULPHATE, 12% (V/V) GLYCEROL Resolution 3.15 Å R-free 0.236

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.

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

View Construct and Data Evidence
UniProt name RGMB_HUMAN
Isoform
PDB entities 3, 4
Chains and sequence ranges Author chain C; PDBConstruct 4–122; UniProt 50–168 Author chain D; PDBConstruct 1–242; UniProt 169–410

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 4ui2

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4ui2
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4ui2
Deposition date deposition_date2015-03-27
Structure title titleCrystal structure of the ternary RGMB-BMP2-NEO1 complex
Keywords keywords;REPULSIVE GUIDANCE MOLECULE, BONE MORPHOGENETIC PROTEIN PATHWAY, HEMOJUVELIN, MORPHOGEN, AXON GUIDANCE, CELL SURFACE RECEPTOR SIGNALING, NEOGENIN, SIGNALING PROTEIN ;; SIGNALING PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier32.18
Radius of gyration Rg (electron density) rg_electron31.97
Forward intensity I(0) i063816400.00
Molecular weight molecular_weight61466.0 kDa
Excluded volume excluded_volume76340 ų
Envelope volume envelope_volume105350 ų
Hydration-shell volume shell_volume29148 ų
Envelope diameter envelope_diameter120.3
Shell Rg shell_rg36.30
Envelope Rg envelope_rg32.33
Shape Rg shape_rg31.93
Total Rg total_rg32.50
Total atoms total_atoms4311
Residues n_residues541
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 dmax113.4
Rg (real space) rg_real32.50
Rg uncertainty (real space) rg_real_error1.23
I(0) (real space) i0_real6.3820e+07
I(0) uncertainty (real space) i0_real_error1.0360e+06
Rg (reciprocal space) rg_reciprocal32.37
I(0) (reciprocal space) i0_reciprocal63810000.0000
Solution quality estimate total_estimate0.8403
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary34.7
Skewness Skewness skewness0.549
Kurtosis Kurtosis kurtosis-0.139
Angular range angular_range— – 0.2450 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha3951000.0000
Real-space data points n_real_points50
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.765; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.834; Smooth: 0.790

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

7. Fold Classification (SCOP + CATH) 5 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd4ui2b_
Class classg — Small proteins
Fold Fold foldg.17 — Cystine-knot cytokines
Superfamily Superfamily superfamilyg.17.1 — Cystine-knot cytokines
Family Family familyg.17.1.2 — Transforming growth factor (TGF)-beta

CATH v4.4 (4 domains)

Domain ID domain_id4ui2A01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id4ui2A02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id4ui2B00
Class class2 — Mainly Beta
Architecture architecture10 — Ribbon
Topology topology90 — Cystine Knot Cytokines, subunit B
Homologous superfamily homologous superfamily10 — Cystine-knot cytokines
Domain ID domain_id4ui2D00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology1000 — Protein Transport Mog1p; Chain A
Homologous superfamily homologous superfamily10 — Mog1/PsbP, alpha/beta/alpha sandwich

8. Citations (1)

9. Files and Curves (10)