Download MendeleyCrystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli.
Taylor, P., Sugiman-Marangos, S.N., Zhang, K., DeLeon, G., Wright, G.D., Junop, M.S.To be published.
3ESR | pdb_00003esr
Crystal Structure of D,D-heptose1.7-bisphosphate phosphatase from E. coli in complex with calcium and phosphate
- PDB DOI: https://doi.org/10.2210/pdb3ESR/pdb
- Classification: HYDROLASE
- Organism(s): Escherichia coli K-12
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2008-10-06 Released: 2008-10-14
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.95 Å
- R-Value Free: 0.276 (Depositor)
- R-Value Work: 0.208 (Depositor), 0.210 (DCC)
- R-Value Observed: 0.211 (Depositor)
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
This is version 1.3 of the entry. See complete history.
Literature
To be published.
Macromolecules
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(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| D,D-heptose 1,7-bisphosphate phosphatase | 211 | Escherichia coli K-12 | Mutation(s): 0 Gene Names: b0200, gmhB, JW0196, yaeD EC: 3.1.3 (PDB Primary Data), 3.1.3.82 (UniProt) |  | |
UniProt | |||||
Find proteins for P63228 (Escherichia coli (strain K12)) Explore P63228 Go to UniProtKB: P63228 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P63228 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| PO4 Query on PO4 | D [auth A] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K |  | ||
| ZN Query on ZN | B [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
| CA Query on CA | C [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.95 Å
- R-Value Free: 0.276 (Depositor)
- R-Value Work: 0.208 (Depositor), 0.210 (DCC)
- R-Value Observed: 0.211 (Depositor)
Space Group: P 21 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 64.183 | α = 90 |
| b = 50.446 | β = 90 |
| c = 52.018 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CrystalClear | data collection |
| PHENIX | model building |
| REFMAC | refinement |
| CrystalClear | data reduction |
| CrystalClear | data scaling |
| PHENIX | phasing |
Entry History
Deposition Data
- Released Date: 2008-10-14 Deposition Author(s): Sugiman-Marangos, S.N., Junop, M.S.
Revision History (Full details and data files)
- Version 1.0: 2008-10-14
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2012-04-11
Changes: Other - Version 1.3: 2023-09-06
Changes: Data collection, Database references, Derived calculations, Refinement description
