3B7M

Crystal structure of a meso-active thermo-stable cellulase (MT Cel12A) derived by making non-contiguous mutations in the active surface of the Cel12A cellulase of Rhodothermus marinus

PDB DOI: https://doi.org/10.2210/pdb3B7M/pdb

Classification: HYDROLASE
Organism(s): Rhodothermus marinus
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2007-10-31 Released: 2007-11-27
Deposition Author(s): Karthikeyan, S., Guptasarma, P.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.10 Å
R-Value Free: 0.238
R-Value Work: 0.186
R-Value Observed: 0.189

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

This is version 1.4 of the entry. See complete history.

Literature

Transplantation of the active surface of a mesophile cellulase onto the structural scaffold of a homologous thermophile cellulase through engineering of a surface beta sheet

Kapoor, D., Kumar, V., Chandrayan, S.K., Ahmed, S., Sharma, S., Datt, M., Singh, B., Karthikeyan, S., Guptasarma, P.

To be published.

Macromolecule Content

Total Structure Weight: 95.09 kDa
Atom Count: 7,062
Modelled Residue Count: 864
Deposited Residue Count: 864
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
CELLULASE	A, B, C, D	216	Rhodothermus marinus	Mutation(s): 0 Gene Names: celA EC: 3.2.1.4
UniProt
Find proteins for O33897 (Rhodothermus marinus) Explore O33897 Go to UniProtKB: O33897
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	O33897
Sequence Annotations Expand
Reference Sequence

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.10 Å
R-Value Free: 0.238
R-Value Work: 0.186
R-Value Observed: 0.189
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 60.398	α = 90
b = 111.874	β = 90
c = 133.707	γ = 90

Software Package:

Software Name	Purpose
REFMAC	refinement
MAR345	data collection
AUTOMAR	data reduction
MOLREP	phasing

Structure Validation

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Entry History

Deposition Data

Released Date: 2007-11-27

Deposition Author(s):

Karthikeyan, S.

Revision History (Full details and data files)

Version 1.0: 2007-11-27
Type: Initial release
Version 1.1: 2011-07-13
Changes: Version format compliance
Version 1.2: 2017-10-25
Changes: Refinement description
Version 1.3: 2023-11-01
Changes: Data collection, Database references, Refinement description
Version 1.4: 2024-10-09
Changes: Structure summary

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.