1H1B
Crystal structure of human neutrophil elastase complexed with an inhibitor (GW475151)
- PDB DOI: https://doi.org/10.2210/pdb1H1B/pdb
- Classification: HYDROLASE
- Organism(s): Homo sapiens
- Mutation(s): No 
- Deposited: 2002-07-05 Released: 2002-08-29 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.310 
- R-Value Work: 0.251 
- R-Value Observed: 0.254 
wwPDB Validation   3D Report Full Report
This is version 2.1 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 |
LEUKOCYTE ELASTASE | 218 | Homo sapiens | Mutation(s): 0  EC: 3.4.21.37 | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P08246 (Homo sapiens) Explore P08246  Go to UniProtKB:  P08246 | |||||
PHAROS:  P08246 GTEx:  ENSG00000197561  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P08246 | ||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Small Molecules
Ligands 1 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
151 Query on 151 | G [auth A], H [auth B] | (2S)-3-METHYL-2-((2R,3S)-3-[(METHYLSULFONYL)AMINO]-1-{[2-(PYRROLIDIN-1-YLMETHYL)-1,3-OXAZOL-4-YL]CARBONYL}PYRROLIDIN-2-YL)BUTANOIC ACID C19 H30 N4 O6 S PWBJTGRBTWYVSH-XOKHGSTOSA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.310 
- R-Value Work: 0.251 
- R-Value Observed: 0.254 
- Space Group: P 43 2 2
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 68.88 | α = 90 |
b = 68.88 | β = 90 |
c = 241.15 | γ = 90 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
DENZO | data reduction |
SCALEPACK | data scaling |
AMoRE | phasing |
Entry History 
Deposition Data
- Released Date: 2002-08-29  Deposition Author(s): Macdonald, S.J.F., Dowle, M.D., Harrison, L.A., Clarke, G.D.E., Inglis, G.G.A., Johnson, M.R., Smith, R.A., Amour, A., Fleetwood, G., Humphreys, D.C., Molloy, C.R., Dixon, M., Godward, R.E., Wonacott, A.J., Singh, O.M.P., Hodgson, S.T., Hardy, G.W.
Revision History (Full details and data files)
- Version 1.0: 2002-08-29
Type: Initial release - Version 1.1: 2011-09-14
Changes: Derived calculations, Non-polymer description, Other, Structure summary, Version format compliance - Version 1.2: 2019-05-08
Changes: Data collection, Derived calculations, Experimental preparation, Other - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Derived calculations, Structure summary - Version 2.1: 2023-12-13
Changes: Data collection, Database references, Derived calculations, Refinement description, Structure summary