Download MendeleyCrystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus inuen-zae in complex with O-acetyl serine and peptide inhibitor
Ekka, M.K., Singh, A.K., Kaushik, A., Kumaran, S.To be published.
4ZU1
Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus influenzae in complex with O-acetyl serine and peptide inhibitor
- PDB DOI: https://doi.org/10.2210/pdb4ZU1/pdb
- Entry: 4ZU1 supersedes: 4MIL
- Classification: TRANSFERASE/TRANSFERASE INHIBITOR
- Organism(s): Haemophilus influenzae Rd KW20, Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2015-05-15 Released: 2015-06-10
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.257
- R-Value Work: 0.218
- R-Value Observed: 0.220
wwPDB Validation 3D Report Full Report
This is version 2.1 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 |
| Cysteine synthase | A [auth X] | 332 | Haemophilus influenzae Rd KW20 | Mutation(s): 0 Gene Names: cysK, HI_1103 EC: 2.5.1.47 |  |
UniProt | |||||
Find proteins for P45040 (Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)) Explore P45040 Go to UniProtKB: P45040 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P45040 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by: Sequence | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| C-terminal peptide from Serine acetyltransferase | B [auth A] | 10 | Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 | Mutation(s): 0 |  |
UniProt | |||||
Find proteins for P29847 (Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)) Explore P29847 Go to UniProtKB: P29847 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P29847 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| OAS Query on OAS | D [auth A] | O-ACETYLSERINE C5 H9 N O4 VZXPDPZARILFQX-BYPYZUCNSA-N |  | ||
| GOL Query on GOL | C [auth X] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| LLP Query on LLP | A [auth X] | L-PEPTIDE LINKING | C14 H22 N3 O7 P |  | LYS |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.257
- R-Value Work: 0.218
- R-Value Observed: 0.220
- Space Group: I 41
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 112.53 | α = 90 |
| b = 112.53 | β = 90 |
| c = 43.364 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2015-06-10 Deposition Author(s): Ekka, M.K., Singh, A.K., Kaushik, A., Kumaran, S.
- This entry supersedes: 4MIL
Revision History (Full details and data files)
- Version 1.0: 2015-06-10
Type: Initial release - Version 2.0: 2023-11-08
Changes: Data collection, Database references, Derived calculations, Non-polymer description, Refinement description, Source and taxonomy, Structure summary - Version 2.1: 2023-11-15
Changes: Data collection
