4Q1Q
Crystal structure of TibC-catalyzed hyper-glycosylated TibA55-350 fragment
- PDB DOI: https://doi.org/10.2210/pdb4Q1Q/pdb
- Classification: CELL ADHESION
- Organism(s): Escherichia coli ETEC H10407
- Expression System: Escherichia coli
- Mutation(s): No 
- Deposited: 2014-04-04 Released: 2014-09-17 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.11 Å
- R-Value Free: 0.248 
- R-Value Work: 0.205 
- R-Value Observed: 0.208 
wwPDB Validation   3D Report Full Report
This is version 1.4 of the entry. See complete history. 
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
Adhesin/invasin TibA autotransporter | 305 | Escherichia coli ETEC H10407 | Mutation(s): 0  Gene Names: tibA | ||
UniProt | |||||
Find proteins for Q9XD84 (Escherichia coli O78:H11 (strain H10407 / ETEC)) Explore Q9XD84  Go to UniProtKB:  Q9XD84 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q9XD84 | ||||
Sequence AnnotationsExpand | |||||
|
Small Molecules
Ligands 1 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
289 Query on 289 | AA [auth A] AB [auth B] BA [auth A] BB [auth B] C [auth A] | D-glycero-alpha-D-manno-heptopyranose C7 H14 O7 BGWQRWREUZVRGI-QTNLNCNHSA-N |
Modified Residues 1 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Type | Formula | 2D Diagram | Parent |
MSE Query on MSE | A, B | L-PEPTIDE LINKING | C5 H11 N O2 Se | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.11 Å
- R-Value Free: 0.248 
- R-Value Work: 0.205 
- R-Value Observed: 0.208 
- Space Group: P 1 21 1
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 46.807 | α = 90 |
b = 62.166 | β = 90.9 |
c = 97.288 | γ = 90 |
Software Name | Purpose |
---|---|
Blu-Ice | data collection |
SHARP | phasing |
REFMAC | refinement |
HKL-2000 | data reduction |
HKL-2000 | data scaling |
Entry History 
Deposition Data
Revision History (Full details and data files)
- Version 1.0: 2014-09-17
Type: Initial release - Version 1.1: 2014-10-29
Changes: Database references - Version 1.2: 2020-06-24
Changes: Advisory, Data collection, Database references, Derived calculations - Version 1.3: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations - Version 1.4: 2024-04-03
Changes: Data collection, Database references, Refinement description, Structure summary