1PPM
CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION-STATE MIMICS BOUND TO PENICILLOPEPSIN: PHOSPHORUS-CONTAINING PEPTIDE ANALOGUES
- PDB DOI: https://doi.org/10.2210/pdb1PPM/pdb
- Classification: HYDROLASE/hydrolase inhibitor
- Organism(s): Penicillium janthinellum
- Mutation(s): No 
- Deposited: 1992-06-01 Released: 1993-10-31 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 Å
- R-Value Work: 0.150 
- R-Value Observed: 0.150 
wwPDB Validation   3D Report Full Report
This is version 1.6 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 |
PENICILLOPEPSIN | A [auth E] | 323 | Penicillium janthinellum | Mutation(s): 0  EC: 3.4.23.20 | |
UniProt | |||||
Find proteins for P00798 (Penicillium janthinellum) Explore P00798  Go to UniProtKB:  P00798 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P00798 | ||||
Sequence AnnotationsExpand | |||||
|
Small Molecules
Ligands 4 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
0P1 Query on 0P1 | B [auth E] | N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl
}-L-alaninamide C29 H40 N3 O9 P VWCUANLUSQBJLX-WIHVIGOGSA-N | |||
MAN Query on MAN | C [auth E] | alpha-D-mannopyranose C6 H12 O6 WQZGKKKJIJFFOK-PQMKYFCFSA-N | |||
ARA Query on ARA | D [auth E] | alpha-L-arabinopyranose C5 H10 O5 SRBFZHDQGSBBOR-QMKXCQHVSA-N | |||
SO4 Query on SO4 | E | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 2 | |||||
---|---|---|---|---|---|
ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
PRD_000328 (0P1) Query on PRD_000328 | B [auth E] | Cbz-Ala-Ala-Leu(P)-(O)-Phe-OMe | Peptide-like / Inhibitor |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 Å
- R-Value Work: 0.150 
- R-Value Observed: 0.150 
- Space Group: C 1 2 1
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 97.4 | α = 90 |
b = 46.59 | β = 115.7 |
c = 66.29 | γ = 90 |
Software Name | Purpose |
---|---|
X-PLOR | model building |
PROLSQ | refinement |
X-PLOR | refinement |
X-PLOR | phasing |
Entry History 
Deposition Data
- Released Date: 1993-10-31  Deposition Author(s): Fraser, M.E., James, M.N.G.
Revision History (Full details and data files)
- Version 1.0: 1993-10-31
Type: Initial release - Version 1.1: 2008-03-03
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Atomic model, Database references, Derived calculations, Non-polymer description, Structure summary, Version format compliance - Version 1.3: 2012-12-12
Changes: Other - Version 1.4: 2019-07-17
Changes: Data collection, Derived calculations, Other, Refinement description - Version 1.5: 2019-08-14
Changes: Data collection, Refinement description - Version 1.6: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary