Download MendeleyPhosphoglycerate mutase 1 complexed with a small molecule inhibitor
Jiang, L.L., Zhou, L., Huang, K.To be published.
6ISN
Phosphoglycerate mutase 1 complexed with a small molecule inhibitor
- PDB DOI: https://doi.org/10.2210/pdb6ISN/pdb
- Classification: ISOMERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2018-11-17 Released: 2019-12-11
- Funding Organization(s): National Natural Science Foundation of China
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.98 Å
- R-Value Free: 0.225
- R-Value Work: 0.197
- R-Value Observed: 0.198
This is version 1.0 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 |
| Phosphoglycerate mutase 1 | A [auth B], B [auth C] | 234 | Homo sapiens | Mutation(s): 0 Gene Names: PGAM1 EC: 5.4.2.11 (PDB Primary Data), 5.4.2.4 (PDB Primary Data) |  |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P18669 (Homo sapiens) Explore P18669 Go to UniProtKB: P18669 | |||||
PHAROS: P18669 GTEx: ENSG00000171314 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P18669 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| AW6 Query on AW6 | E [auth C] | 4-chloro-N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide C20 H12 Cl N O6 S MWTMFTAKBRZAHX-UHFFFAOYSA-N |  | ||
| MES Query on MES | D [auth C] | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID C6 H13 N O4 S SXGZJKUKBWWHRA-UHFFFAOYSA-N |  | ||
| CL Query on CL | C [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| NEP Query on NEP | A [auth B], B [auth C] | L-PEPTIDE LINKING | C6 H10 N3 O5 P |  | HIS |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.98 Å
- R-Value Free: 0.225
- R-Value Work: 0.197
- R-Value Observed: 0.198
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 82.541 | α = 90 |
| b = 82.764 | β = 90 |
| c = 104.204 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data scaling |
| PDB_EXTRACT | data extraction |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2019-12-11 Deposition Author(s): Jiang, L.L., Zhou, L., Huang, K.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Natural Science Foundation of China | China | 21472026 |
Revision History (Full details and data files)
- Version 1.0: 2019-12-11
Type: Initial release
