1RWQ
Human Dipeptidyl peptidase IV in complex with 5-aminomethyl-6-(2,4-dichloro-phenyl)-2-(3,5-dimethoxy-phenyl)-pyrimidin-4-ylamine
- PDB DOI: https://doi.org/10.2210/pdb1RWQ/pdb
- Classification: HYDROLASE
- Organism(s): Homo sapiens
- Expression System: Komagataella pastoris
- Mutation(s): No
- Deposited: 2003-12-17 Released: 2004-12-17
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.290
- R-Value Work: 0.239
- R-Value Observed: 0.241
wwPDB Validation 3D Report Full Report
This is version 1.3 of the entry. See complete history.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Dipeptidyl peptidase IV | 728 | Homo sapiens | Mutation(s): 0 EC: 3.4.14.5 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P27487 (Homo sapiens) Explore P27487 Go to UniProtKB: P27487 | |||||
PHAROS: P27487 GTEx: ENSG00000197635 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P27487 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 5AP Query on 5AP | G [auth A], L [auth B] | 5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-4-AMINE C19 H18 Cl2 N4 O2 RCJFINNFYUNFGH-UHFFFAOYSA-N |  | ||
| NAG Query on NAG | C [auth A] D [auth A] E [auth A] F [auth A] H [auth B] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.290
- R-Value Work: 0.239
- R-Value Observed: 0.241
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 65.676 | α = 90 |
| b = 69.141 | β = 90 |
| c = 422.559 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| HKL-2000 | data reduction |
| SCALEPACK | data scaling |
| CCP4 | phasing |
Entry History
Deposition Data
- Released Date: 2004-12-17 Deposition Author(s): Hennig, M., Thoma, R., Stihle, M.
Revision History (Full details and data files)
- Version 1.0: 2004-12-17
Type: Initial release - Version 1.1: 2008-04-29
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Non-polymer description, Version format compliance - Version 1.3: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary
