9QYP | pdb_00009qyp

Crystal structure of leaf branch compost cutinase variant

PDB DOI: https://doi.org/10.2210/pdb9QYP/pdb

Classification: HYDROLASE
Organism(s): uncultured bacterium
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2025-04-20 Released: 2025-07-02
Deposition Author(s): Bischoff, D., Walla, B., Brames, E., Janowski, R., Niessing, D., Weuster-Botz, D.
Funding Organization(s): German Research Foundation (DFG)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.01 Å
R-Value Free:
0.250 (Depositor), 0.250 (DCC)
R-Value Work:
0.208 (Depositor), 0.208 (DCC)

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

This is version 1.0 of the entry. See complete history.

Literature

Application of a Rational Crystal Contact Engineering Strategy on a Poly(ethylene terephthalate)-Degrading Cutinase

Walla, B., Dietrich, A.M., Brames, E., Bischoff, D., Fritzsche, S., Castiglione, K., Janowski, R., Niessing, D., Weuster-Botz, D.

(2025) Bioengineering

DOI: https://doi.org/10.3390/bioengineering12060561

Macromolecule Content

Total Structure Weight: 86.6 kDa
Atom Count: 6,202
Modeled Residue Count: 778
Deposited Residue Count: 801
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Leaf-branch compost cutinase	A [auth C], B [auth A], C [auth B]	267	uncultured bacterium	Mutation(s): 0 EC: 3.1.1.74 (PDB Primary Data), 3.1.1.101 (PDB Primary Data)
UniProt
Find proteins for G9BY57 (Unknown prokaryotic organism) Explore G9BY57 Go to UniProtKB: G9BY57
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	G9BY57
Sequence Annotations Expand
Reference Sequence

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.01 Å
R-Value Free: 0.250 (Depositor), 0.250 (DCC)
R-Value Work: 0.208 (Depositor), 0.208 (DCC)

Space Group: I 2 2 2

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 97.91	α = 90
b = 101.87	β = 90
c = 265.81	γ = 90

Software Package:

Software Name	Purpose
REFMAC	refinement
XDS	data reduction
XDS	data scaling
PHASER	phasing

Structure Validation

View Full Validation Report

Entry History & Funding Information

Deposition Data

Released Date: 2025-07-02

Deposition Author(s):

Weuster-Botz, D.

Funding Organization	Location	Grant Number
German Research Foundation (DFG)	Germany	WE2715/14-2

Revision History (Full details and data files)

Version 1.0: 2025-07-02
Type: Initial release

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.