Download MendeleyThe Crystal Structure of Human Indolethylamine N-methyltransferase in complex with SAH.
Wu, H., Dong, A., Zeng, H., Loppnau, P., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Plotnikov, A.N.To be published.
2A14
Crystal Structure of Human Indolethylamine N-methyltransferase with SAH
- PDB DOI: https://doi.org/10.2210/pdb2A14/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2005-06-17 Released: 2005-06-28
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 Å
- R-Value Free: 0.197
- R-Value Work: 0.163
- R-Value Observed: 0.164
This is version 1.3 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 |
| indolethylamine N-methyltransferase | 263 | Homo sapiens | Mutation(s): 0 EC: 2.1.1.49 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for O95050 (Homo sapiens) Explore O95050 Go to UniProtKB: O95050 | |||||
PHAROS: O95050 GTEx: ENSG00000241644 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O95050 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SAH Query on SAH | C [auth A] | S-ADENOSYL-L-HOMOCYSTEINE C14 H20 N6 O5 S ZJUKTBDSGOFHSH-WFMPWKQPSA-N |  | ||
| SO4 Query on SO4 | B [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 Å
- R-Value Free: 0.197
- R-Value Work: 0.163
- R-Value Observed: 0.164
- Space Group: C 2 2 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 86.407 | α = 90 |
| b = 117.461 | β = 90 |
| c = 66.116 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| CrystalClear | data reduction |
| SCALEPACK | data scaling |
| MOLREP | phasing |
| O | model building |
Entry History
Deposition Data
- Released Date: 2005-06-28 Deposition Author(s): Dong, A., Wu, H., Zeng, H., Loppnau, P., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Plotnikov, A.N., Structural Genomics Consortium (SGC)
Revision History (Full details and data files)
- Version 1.0: 2005-06-28
Type: Initial release - Version 1.1: 2008-04-30
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2023-08-23
Changes: Data collection, Database references, Derived calculations, Refinement description
