Download MendeleyCrystal structure of TP domain from Chlamydia trachomatis Penicillin-Binding Protein 3 in complex with meropenem
Bellini, D., Koekemoer, L., Newman, H., Dowson, C.G.To be published.
6I1H
Crystal structure of TP domain from Chlamydia trachomatis Penicillin-Binding Protein 3 in complex with meropenem
- PDB DOI: https://doi.org/10.2210/pdb6I1H/pdb
- Classification: PEPTIDE BINDING PROTEIN
- Organism(s): Chlamydia trachomatis
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2018-10-28 Released: 2019-11-20
- Funding Organization(s): Medical Research Council (United Kingdom)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.78 ?
- R-Value Free: 0.251
- R-Value Work: 0.221
- R-Value Observed: 0.223
Starting Model: experimental
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This is version 1.2 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Penicillin-binding protein,Penicillin-binding protein | 346 | Chlamydia trachomatis | Mutation(s): 0 Gene Names: pbp_2, ERS133248_00492 EC: 2.4.1.129 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MER (Subject of Investigation/LOI) Query on MER | C [auth A], D [auth B] | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d
ihydro-1H-pyrrole-2-carboxylic acid C17 H27 N3 O5 S DYQHXZPAIVAJRU-HTXLXMOSSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.78 ?
- R-Value Free: 0.251
- R-Value Work: 0.221
- R-Value Observed: 0.223
- Space Group: P 32 2 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 112.566 | ¦Á = 90 |
| b = 112.566 | ¦Â = 90 |
| c = 118.501 | ¦Ă = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| autoPROC | data scaling |
| MrBUMP | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2019-11-20 Deposition Author(s): Bellini, D., Koekemoer, L., Newman, H., Dowson, C.G.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Medical Research Council (United Kingdom) | United Kingdom | grant.MR/P007503/1 |
Revision History (Full details and data files)
- Version 1.0: 2019-11-20
Type: Initial release - Version 1.1: 2020-07-08
Changes: Derived calculations, Structure summary - Version 1.2: 2024-01-24
Changes: Data collection, Database references, Refinement description
