Download MendeleyLigand Structures Of Biotin Protein Ligase From Pyrococcus Horikoshii Ot3
Bagautdinov, B., Kunishima, N.To be published.
2DTH
The Crystal Structure of the Orthorhombic Form of Biotin Protein Ligase From Pyrococcus Horikoshii OT3 in Complex with Biotin and ADP
- PDB DOI: https://doi.org/10.2210/pdb2DTH/pdb
- Classification: LIGASE
- Organism(s): Pyrococcus horikoshii OT3
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2006-07-12 Released: 2007-01-12
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.95 Å
- R-Value Free: 0.269
- R-Value Work: 0.240
- R-Value Observed: 0.240
Starting Model: experimental
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This is version 1.3 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 |
| 235aa long hypothetical biotin--[acetyl-CoA-carboxylase] ligase | 235 | Pyrococcus horikoshii OT3 | Mutation(s): 0 Gene Names: birA EC: 6.3.4.15 |  | |
UniProt | |||||
Find proteins for O57883 (Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3)) Explore O57883 Go to UniProtKB: O57883 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O57883 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ADP Query on ADP | C [auth A], E [auth B] | ADENOSINE-5'-DIPHOSPHATE C10 H15 N5 O10 P2 XTWYTFMLZFPYCI-KQYNXXCUSA-N |  | ||
| BTN Query on BTN | D [auth A], F [auth B] | BIOTIN C10 H16 N2 O3 S YBJHBAHKTGYVGT-ZKWXMUAHSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.95 Å
- R-Value Free: 0.269
- R-Value Work: 0.240
- R-Value Observed: 0.240
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 70.001 | α = 90 |
| b = 72.718 | β = 90 |
| c = 104.21 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CNS | refinement |
| HKL-2000 | data reduction |
| SCALEPACK | data scaling |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2007-01-12 Deposition Author(s): Bagautdinov, B., Kunishima, N., RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Revision History (Full details and data files)
- Version 1.0: 2007-01-12
Type: Initial release - Version 1.1: 2008-04-30
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Source and taxonomy, Version format compliance - Version 1.3: 2023-10-25
Changes: Data collection, Database references, Derived calculations, Refinement description
