4GJD
Crystal structure of renin in complex with NVP-BGQ311 (compound 12)
- PDB DOI: https://doi.org/10.2210/pdb4GJD/pdb
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Homo sapiens
- Expression System: Cricetulus griseus
- Mutation(s): No 
- Deposited: 2012-08-09 Released: 2013-02-13 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.65 Å
- R-Value Free: 0.225 
- R-Value Work: 0.180 
- R-Value Observed: 0.184 
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 |
Renin | 340 | Homo sapiens | Mutation(s): 0  Gene Names: REN EC: 3.4.23.15 | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P00797 (Homo sapiens) Explore P00797  Go to UniProtKB:  P00797 | |||||
PHAROS:  P00797 GTEx:  ENSG00000143839  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P00797 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
Ligands 3 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
0N0 Query on 0N0 | D [auth A], F [auth B] | (3S,5R)-N-{[9-(4-methoxybutyl)-9H-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide C32 H39 N3 O5 S LBPUIWQYAGTBDC-LOSJGSFVSA-N | |||
NAG Query on NAG | C [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
SO4 Query on SO4 | E [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.65 Å
- R-Value Free: 0.225 
- R-Value Work: 0.180 
- R-Value Observed: 0.184 
- Space Group: P 21 3
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 141.917 | α = 90 |
b = 141.917 | β = 90 |
c = 141.917 | γ = 90 |
Software Name | Purpose |
---|---|
MOLREP | phasing |
BUSTER | refinement |
DENZO | data reduction |
SCALEPACK | data scaling |
Entry History 
Deposition Data
- Released Date: 2013-02-13  Deposition Author(s): Ostermann, N., Zink, F., Kroemer, M.
Revision History (Full details and data files)
- Version 1.0: 2013-02-13
Type: Initial release - Version 1.1: 2013-04-10
Changes: Database references - Version 1.2: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary - Version 1.3: 2023-09-13
Changes: Data collection, Database references, Refinement description, Structure summary