5YJM
Human chymase in complex with 7-oxo-3-(phenoxyimino)-1,4-diazepane derivative
- PDB DOI: https://doi.org/10.2210/pdb5YJM/pdb
- Classification: HYDROLASE
- Organism(s): Homo sapiens
- Expression System: Komagataella pastoris
- Mutation(s): No 
- Deposited: 2017-10-11 Released: 2017-12-27 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.186 
- R-Value Work: 0.147 
- R-Value Observed: 0.149 
This is version 1.2 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 |
human chymase | 226 | Homo sapiens | Mutation(s): 0  | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P23946 (Homo sapiens) Explore P23946  Go to UniProtKB:  P23946 | |||||
PHAROS:  P23946 GTEx:  ENSG00000092009  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P23946 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
Ligands 3 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
8W3 (Subject of Investigation/LOI) Query on 8W3 | E [auth A] | 2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic
acid C30 H32 Cl N5 O6 LHASZEBEQGPCFM-CJFMBICVSA-N | |||
NAG Query on NAG | B [auth A], C [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
ZN Query on ZN | D [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.186 
- R-Value Work: 0.147 
- R-Value Observed: 0.149 
- Space Group: P 43
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 75.089 | α = 90 |
b = 75.089 | β = 90 |
c = 49.75 | γ = 90 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
HKL-2000 | data reduction |
HKL-2000 | data scaling |
AMoRE | phasing |
Entry History 
Deposition Data
- Released Date: 2017-12-27  Deposition Author(s): Sugawara, H.
Revision History (Full details and data files)
- Version 1.0: 2017-12-27
Type: Initial release - Version 1.1: 2018-01-17
Changes: Database references - Version 1.2: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary