1PPD

RESTRAINED LEAST-SQUARES REFINEMENT OF THE SULFHYDRYL PROTEASE PAPAIN TO 2.0 ANGSTROMS

PDB DOI: https://doi.org/10.2210/pdb1PPD/pdb

Classification: HYDROLASE (SULFHYDRYL PROTEINASE)
Organism(s): Carica papaya
Mutation(s): No

Deposited: 1984-11-06 Released: 1985-01-02
Deposition Author(s): Jansonius, J.N.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.00 Å
R-Value Observed: 0.145

wwPDB Validation 3D Report Full Report

This is version 1.3 of the entry. See complete history.

Literature

Restrained Least-Squares Refinement of the Sulfhydryl Protease Papain to 2.0 Angstroms

Priestle, J.P., Ford, G.C., Glor, M., Mehler, E.L., Smit, J.D.G., Thaller, C., Jansonius, J.N.

(1984) Acta Crystallogr A 40: 17

Macromolecule Content

Total Structure Weight: 23.53 kDa
Atom Count: 1,870
Modelled Residue Count: 212
Deposited Residue Count: 212
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
2-HYDROXYETHYL-THIOPAPAIN	A	212	Carica papaya	Mutation(s): 0 EC: 3.4.22.2
UniProt
Find proteins for P00784 (Carica papaya) Explore P00784 Go to UniProtKB: P00784
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P00784
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
BME Query on BME Download Ideal Coordinates CCD File SDF format, chain B [auth A] MOL2 format, chain B [auth A]	B [auth A]	BETA-MERCAPTOETHANOL C₂ H₆ O S DGVVWUTYPXICAM-UHFFFAOYSA-N		Interactions Focus chain B [auth A] Interactions & Density Focus chain B [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.00 Å
R-Value Observed: 0.145
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 42.8	α = 90
b = 95.7	β = 90
c = 49.7	γ = 90

Software Package:

Software Name	Purpose
PROLSQ	refinement

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 1985-01-02

Deposition Author(s):

Jansonius, J.N.

Revision History (Full details and data files)

Version 1.0: 1985-01-02
Type: Initial release
Version 1.1: 2008-03-03
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Version format compliance
Version 1.3: 2017-11-29
Changes: Derived calculations, Other

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