1BXO
ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUT YL] HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL) PHENYLPROPANOATE
- PDB DOI: https://doi.org/10.2210/pdb1BXO/pdb
- Classification: HYDROLASE
- Organism(s): Penicillium janthinellum
- Mutation(s): No 
- Deposited: 1998-10-07 Released: 1998-10-14 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 0.95 Å
- R-Value Free: 0.125 
- R-Value Observed: 0.099 
This is version 1.4 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 |
PROTEIN (PENICILLOPEPSIN) | 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 | |||||
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Small Molecules
Ligands 4 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
PP7 Query on PP7 | E [auth A] | METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL)PHENYLPROPANOATE C30 H47 N4 O9 P BOYAGOIPWLIWCX-IDJLGEMNSA-N | |||
MAN Query on MAN | B [auth A], C [auth A] | alpha-D-mannopyranose C6 H12 O6 WQZGKKKJIJFFOK-PQMKYFCFSA-N | |||
SO4 Query on SO4 | D [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L | |||
GOL Query on GOL | F [auth A], G [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 0.95 Å
- R-Value Free: 0.125 
- R-Value Observed: 0.099 
- Space Group: C 1 2 1
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 96.98 | α = 90 |
b = 46.65 | β = 115.57 |
c = 65.71 | γ = 90 |
Software Name | Purpose |
---|---|
MOSFLM | data reduction |
SCALA | data scaling |
SHELXL-97 | refinement |
CCP4 | data scaling |
Entry History 
Deposition Data
- Released Date: 1998-10-14  Deposition Author(s): Khan, A.R., Parrish, J.C., Fraser, M.E., Smith, W.W., Bartlett, P.A., James, M.N.G.
Revision History (Full details and data files)
- Version 1.0: 1998-10-14
Type: Initial release - Version 1.1: 2007-10-16
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 - Version 1.4: 2023-08-09
Changes: Data collection, Database references, Refinement description, Structure summary