Download MendeleyCrystal structure of pantoate-beta-alanine-ligase in complex with ATP at low occupancy at 2.1 A resolution
Seattle Structural Genomics Center for Infectious Disease (SSGCID), Abendroth, J., Davies, D., Staker, B.To be published.
3INN
Crystal structure of pantoate-beta-alanine-ligase in complex with ATP at low occupancy at 2.1 A resolution
- PDB DOI: https://doi.org/10.2210/pdb3INN/pdb
- Classification: LIGASE
- Organism(s): Brucella melitensis
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2009-08-12 Released: 2009-10-06
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.245
- R-Value Work: 0.194
- R-Value Observed: 0.196
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 |
| Pantothenate synthetase | 314 | Brucella melitensis | Mutation(s): 0 Gene Names: BMEI1593, panC EC: 6.3.2.1 |  | |
UniProt | |||||
Find proteins for Q8YFC9 (Brucella melitensis biotype 1 (strain 16M / ATCC 23456 / NCTC 10094)) Explore Q8YFC9 Go to UniProtKB: Q8YFC9 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8YFC9 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ATP Query on ATP | E [auth A], I [auth C], M [auth D] | ADENOSINE-5'-TRIPHOSPHATE C10 H16 N5 O13 P3 ZKHQWZAMYRWXGA-KQYNXXCUSA-N |  | ||
| UNX Query on UNX | F [auth A] G [auth A] H [auth A] J [auth C] K [auth C] | UNKNOWN ATOM OR ION X |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.245
- R-Value Work: 0.194
- R-Value Observed: 0.196
- Space Group: P 31 2 1
- Diffraction Data: https://doi.org/10.18430/M33INN
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 94.32 | α = 90 |
| b = 94.32 | β = 90 |
| c = 236.93 | γ = 120 |
| Software Name | Purpose |
|---|---|
| Blu-Ice | data collection |
| PHASER | phasing |
| REFMAC | refinement |
| XDS | data reduction |
| XSCALE | data scaling |
Entry History
Deposition Data
- Released Date: 2009-10-06 Deposition Author(s): Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Revision History (Full details and data files)
- Version 1.0: 2009-10-06
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2023-09-06
Changes: Data collection, Database references, Derived calculations, Refinement description
