Download MendeleyHsNMT1 in complex with both MyrCoA and GNCFSKPR inhibitor peptide
Dian, C., Giglione, C., Meinnel, T., Riviere, F., Dutheil, F.R., Monassa, P.To be published.
8Q3T
HsNMT1 in complex with both MyrCoA and GNCFSKPRVPTK inhibitor peptide
- PDB DOI: https://doi.org/10.2210/pdb8Q3T/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens, synthetic construct
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2023-08-04 Released: 2024-08-14
- Funding Organization(s): Agence Nationale de la Recherche (ANR), Fondation ARC, French Infrastructure for Integrated Structural Biology (FRISBI)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.96 ?
- R-Value Free: 0.196
- R-Value Work: 0.151
- R-Value Observed: 0.153
Starting Model: experimental
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This is version 1.1 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 |
| Glycylpeptide N-tetradecanoyltransferase 1 | 401 | Homo sapiens | Mutation(s): 0 Gene Names: NMT1 EC: 2.3.1 (UniProt), 2.3.1.97 (UniProt) |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P30419 (Homo sapiens) Explore P30419 Go to UniProtKB: P30419 | |||||
PHAROS: P30419 GTEx: ENSG00000136448 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P30419 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by: Sequence | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| MYR-GLY-ASN-CYS-PHE-SER-LYS-PRO-ARG-VAL-PRO | 10 | synthetic construct | Mutation(s): 0 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| COA Query on COA | E [auth A], J [auth B] | COENZYME A C21 H36 N7 O16 P3 S RGJOEKWQDUBAIZ-IBOSZNHHSA-N |  | ||
| MYR (Subject of Investigation/LOI) Query on MYR | L [auth C], M [auth D] | MYRISTIC ACID C14 H28 O2 TUNFSRHWOTWDNC-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | F [auth A], G [auth A], K [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| CL Query on CL | H [auth A], I [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.96 ?
- R-Value Free: 0.196
- R-Value Work: 0.151
- R-Value Observed: 0.153
- Space Group: P 21 21 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 79.61 | ¦Á = 90 |
| b = 178.58 | ¦Â = 90 |
| c = 58.13 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| MOLREP | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-08-14 Deposition Author(s): Dian, C., Giglione, C., Meinnel, T.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Agence Nationale de la Recherche (ANR) | France | ANR-20-CE44-0013 |
| Agence Nationale de la Recherche (ANR) | France | ANR-2010-BLAN-1611-01 |
| Fondation ARC | France | ARCPJA32020060002137 |
| French Infrastructure for Integrated Structural Biology (FRISBI) | France | ANR-10-INSB-05-01 |
Revision History (Full details and data files)
- Version 1.0: 2024-08-14
Type: Initial release - Version 1.1: 2024-10-23
Changes: Structure summary
