1kil

Three-dimensional structure of the complexin/SNARE complex

Method: X-RAY DIFFRACTION Dmax: 111.2 Å Quality: SUSPICIOUS

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

Synaptobrevin SNARE motif

Rattus norvegicus

UniProt P63045

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 × 5 PDB declaration: pentameric(5) Consistent with protein copy count Chain A; UniProt 28–92 Fragment:SNARE motif (29-93) Syntaxin SNARE motif short × 1 (P32851) SNAP-25 N-terminal SNARE motif × 1 (P60880) SNAP-25 C-terminal SNARE motif × 1 (P60880) Complexin I SNARE-complex binding region × 1 (P63041) MG MAGNESIUM ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;27%(v/v) Iso-Propanol, 200mM MgCl2, 100mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 2.30 Å R-free 0.305

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.

22 other PDB entries and 28 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name VAMP2_RAT
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 2–66; UniProt 28–92

Syntaxin SNARE motif short

Rattus norvegicus

UniProt P32851

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 × 5 PDB declaration: pentameric(5) Consistent with protein copy count Chain B; UniProt 192–250 Fragment:SNARE motif (191-253) Synaptobrevin SNARE motif × 1 (P63045) SNAP-25 N-terminal SNARE motif × 1 (P60880) SNAP-25 C-terminal SNARE motif × 1 (P60880) Complexin I SNARE-complex binding region × 1 (P63041) MG MAGNESIUM ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;27%(v/v) Iso-Propanol, 200mM MgCl2, 100mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 2.30 Å R-free 0.305

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.

53 other PDB entries and 72 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name STX1A_RAT
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 4–62; UniProt 192–250

SNAP-25 N-terminal SNARE motif

Homo sapiens

UniProt P60880

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 × 5 PDB declaration: pentameric(5) Consistent with protein copy count Chain C; UniProt 10–81 Chain D; UniProt 139–204 Fragment:SNARE motif (11-82) Mutation:W added at C-terminus Fragment:SNARE motif (141-203) Mutation:W added at C-terminus Synaptobrevin SNARE motif × 1 (P63045) Syntaxin SNARE motif short × 1 (P32851) Complexin I SNARE-complex binding region × 1 (P63041) MG MAGNESIUM ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;27%(v/v) Iso-Propanol, 200mM MgCl2, 100mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 2.30 Å R-free 0.305

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 21 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SN25_HUMAN
Isoform
PDB entities 3, 4
Chains and sequence ranges Author chain C; PDBConstruct 2–73; UniProt 10–81 Author chain D; PDBConstruct 1–66; UniProt 139–204

Complexin I SNARE-complex binding region

Rattus norvegicus

UniProt P63041

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 × 5 PDB declaration: pentameric(5) Consistent with protein copy count Chain E; UniProt 32–72 Fragment:Complexin (residues 26-83) Synaptobrevin SNARE motif × 1 (P63045) Syntaxin SNARE motif short × 1 (P32851) SNAP-25 N-terminal SNARE motif × 1 (P60880) SNAP-25 C-terminal SNARE motif × 1 (P60880) MG MAGNESIUM ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;27%(v/v) Iso-Propanol, 200mM MgCl2, 100mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 2.30 Å R-free 0.305

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.

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

View Construct and Data Evidence
UniProt name CPLX1_RAT
Isoform
PDB entities 5
Chains and sequence ranges Author chain E; PDBConstruct 9–49; UniProt 32–72

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 1kil

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id1kil
Deposition date deposition_date2001-12-03
Structure title titleThree-dimensional structure of the complexin/SNARE complex
Keywords keywordsHelix bound to four helix bundle, MEMBRANE PROTEIN; MEMBRANE PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier28.34
Radius of gyration Rg (electron density) rg_electron29.12
Forward intensity I(0) i024868000.00
Molecular weight molecular_weight35543.0 kDa
Excluded volume excluded_volume43285 ų
Envelope volume envelope_volume55621 ų
Hydration-shell volume shell_volume18897 ų
Envelope diameter envelope_diameter115.0
Shell Rg shell_rg30.85
Envelope Rg envelope_rg30.42
Shape Rg shape_rg29.16
Total Rg total_rg29.19
Total atoms total_atoms2478
Residues n_residues303
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 dmax111.2
Rg (real space) rg_real29.13
Rg uncertainty (real space) rg_real_error1.58
I(0) (real space) i0_real2.4870e+07
I(0) uncertainty (real space) i0_real_error4.5520e+05
Rg (reciprocal space) rg_reciprocal28.88
I(0) (reciprocal space) i0_reciprocal24860000.0000
Solution quality estimate total_estimate0.4951
Solution quality rating solution_quality SUSPICIOUS a SUSPICIOUS solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary21.8
Skewness Skewness skewness0.754
Kurtosis Kurtosis kurtosis-0.059
Angular range angular_range— – 0.2800 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha7285000.0000
Real-space data points n_real_points57
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.227; Stabil: 1.000; Sysdev: 0.242; Positv: 1.000; Valcen: 0.043; Smooth: 0.981

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

7. Fold Classification (SCOP + CATH) 10 domains

SCOP 2.08 (5 domains)

Domain ID domain_idd1kila_
Class classh — Coiled coil proteins
Fold Fold foldh.1 — Parallel coiled-coil
Superfamily Superfamily superfamilyh.1.15 — SNARE fusion complex
Family Family familyh.1.15.1 — SNARE fusion complex
Domain ID domain_idd1kilb_
Class classh — Coiled coil proteins
Fold Fold foldh.1 — Parallel coiled-coil
Superfamily Superfamily superfamilyh.1.15 — SNARE fusion complex
Family Family familyh.1.15.1 — SNARE fusion complex
Domain ID domain_idd1kilc_
Class classh — Coiled coil proteins
Fold Fold foldh.1 — Parallel coiled-coil
Superfamily Superfamily superfamilyh.1.15 — SNARE fusion complex
Family Family familyh.1.15.1 — SNARE fusion complex
Domain ID domain_idd1kild_
Class classh — Coiled coil proteins
Fold Fold foldh.1 — Parallel coiled-coil
Superfamily Superfamily superfamilyh.1.15 — SNARE fusion complex
Family Family familyh.1.15.1 — SNARE fusion complex
Domain ID domain_idd1kile_
Class classh — Coiled coil proteins
Fold Fold foldh.1 — Parallel coiled-coil
Superfamily Superfamily superfamilyh.1.15 — SNARE fusion complex
Family Family familyh.1.15.1 — SNARE fusion complex

CATH v4.4 (5 domains)

Domain ID domain_id1kilA00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily110
Domain ID domain_id1kilB00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily110
Domain ID domain_id1kilC00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily110
Domain ID domain_id1kilD00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily110
Domain ID domain_id1kilE00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily580 — Single Helix bin

8. Citations (1)

9. Files and Curves (10)