6gtx

Crystal structure of the FimH lectin domain from E.coli K12 in complex with the dimannoside Man(alpha1-2)Man

Method: X-RAY DIFFRACTION Dmax: 105.5 Å Quality: GOOD

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

Type 1 fimbrin D-mannose specific adhesin

Escherichia coli (strain K12)

UniProt P08191

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 Monomer Protein × 1 其他Polymer 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 22–179 Not recorded alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;277 K;1.5 M (NH4)2SO4, 0.1 M BisTris-HCl pH 5.5 Resolution 2.50 Å R-free 0.240
2 Other combination Monomer Protein × 1 其他Polymer 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 22–179 Not recorded alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;277 K;1.5 M (NH4)2SO4, 0.1 M BisTris-HCl pH 5.5 Resolution 2.50 Å R-free 0.240
3 Other combination Monomer Protein × 1 其他Polymer 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain C; UniProt 22–179 Not recorded alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;277 K;1.5 M (NH4)2SO4, 0.1 M BisTris-HCl pH 5.5 Resolution 2.50 Å R-free 0.240
4 Other combination Monomer Protein × 1 其他Polymer 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain D; UniProt 22–179 Not recorded alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;277 K;1.5 M (NH4)2SO4, 0.1 M BisTris-HCl pH 5.5 Resolution 2.50 Å R-free 0.240

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.

57 other PDB entries and 135 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name FIMH_ECOLI
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–158; UniProt 22–179 Author chain B; PDBConstruct 1–158; UniProt 22–179 Author chain C; PDBConstruct 1–158; UniProt 22–179 Author chain D; PDBConstruct 1–158; UniProt 22–179

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 6gtx

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id6gtx
Deposition date deposition_date2018-06-19
Structure title titleCrystal structure of the FimH lectin domain from E.coli K12 in complex with the dimannoside Man(alpha1-2)Man
Keywords keywordsTYPE I PILUS, CATCH-BOND, CELL ADHESION, LECTIN, UPEC, INFECTION, MANNOSE; CELL ADHESION
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier29.30
Radius of gyration Rg (electron density) rg_electron28.62
Forward intensity I(0) i075827000.00
Molecular weight molecular_weight69249.0 kDa
Excluded volume excluded_volume86852 ų
Envelope volume envelope_volume103060 ų
Hydration-shell volume shell_volume31668 ų
Envelope diameter envelope_diameter110.9
Shell Rg shell_rg34.03
Envelope Rg envelope_rg28.70
Shape Rg shape_rg28.61
Total Rg total_rg29.16
Total atoms total_atoms9639
Residues n_residues632
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 dmax105.5
Rg (real space) rg_real29.48
Rg uncertainty (real space) rg_real_error1.11
I(0) (real space) i0_real7.5830e+07
I(0) uncertainty (real space) i0_real_error1.2970e+06
Rg (reciprocal space) rg_reciprocal29.41
I(0) (reciprocal space) i0_reciprocal75820000.0000
Solution quality estimate total_estimate0.8308
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary33.2
Skewness Skewness skewness0.590
Kurtosis Kurtosis kurtosis0.105
Angular range angular_range— – 0.2700 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha11220000.0000
Real-space data points n_real_points55
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.666; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.914; Smooth: 0.885

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd6gtxa_
Class classb — All beta proteins
Fold Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
Superfamily Superfamily superfamilyb.2.3 — Bacterial adhesins
Family Family familyb.2.3.2 — Pilus subunits
Domain ID domain_idd6gtxb_
Class classb — All beta proteins
Fold Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
Superfamily Superfamily superfamilyb.2.3 — Bacterial adhesins
Family Family familyb.2.3.2 — Pilus subunits
Domain ID domain_idd6gtxc_
Class classb — All beta proteins
Fold Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
Superfamily Superfamily superfamilyb.2.3 — Bacterial adhesins
Family Family familyb.2.3.2 — Pilus subunits
Domain ID domain_idd6gtxd_
Class classb — All beta proteins
Fold Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
Superfamily Superfamily superfamilyb.2.3 — Bacterial adhesins
Family Family familyb.2.3.2 — Pilus subunits

CATH v4.4 (4 domains)

Domain ID domain_id6gtxA00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
Domain ID domain_id6gtxB00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
Domain ID domain_id6gtxC00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily1090 — Fimbrial-type adhesion domain
Domain ID domain_id6gtxD00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily1090 — Fimbrial-type adhesion domain

8. Citations (1)

9. Files and Curves (10)