Download MendeleyhMTH1 F27A in complex with LW14
Eberle, S.A., Wiedmer, L., Sledz, P., Caflisch, A.To be published.
6GLG
Crystal structure of hMTH1 F27A in complex with LW14 in the presence of acetate
- PDB DOI: https://doi.org/10.2210/pdb6GLG/pdb
- Classification: HYDROLASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2018-05-23 Released: 2019-02-20
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.31 Å
- R-Value Free: 0.211
- R-Value Work: 0.193
- R-Value Observed: 0.194
Starting Model: experimental
View more details
wwPDB Validation 3D Report Full Report
This is version 1.1 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| 7,8-dihydro-8-oxoguanine triphosphatase | 182 | Homo sapiens | Mutation(s): 1 Gene Names: NUDT1, MTH1 EC: 3.6.1.55 (PDB Primary Data), 3.6.1.56 (PDB Primary Data), 3.6.1 (UniProt) |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P36639 (Homo sapiens) Explore P36639 Go to UniProtKB: P36639 | |||||
PHAROS: P36639 GTEx: ENSG00000106268 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P36639 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| BU8 Query on BU8 | B [auth A] | 1~{H}-imidazo[4,5-b]pyridin-2-amine C6 H6 N4 KXQPVJRJUJJWQJ-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | C [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| ACT Query on ACT | D [auth A] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.31 Å
- R-Value Free: 0.211
- R-Value Work: 0.193
- R-Value Observed: 0.194
- Space Group: P 21 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 60.23 | α = 90 |
| b = 66.426 | β = 90 |
| c = 36.405 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2019-02-20 Deposition Author(s): Eberle, S.A., Wiedmer, L., Sledz, P., Caflisch, A.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Switzerland | FK-16-032 |
Revision History (Full details and data files)
- Version 1.0: 2019-02-20
Type: Initial release - Version 1.1: 2024-01-17
Changes: Data collection, Database references, Refinement description
