1XZC

FUSARIUM SOLANI CUTINASE MUTANT WITH SER 129 REPLACED BY CYS COMPLEX WITH PARA-SULFUROUSPHENYL MERCURY

PDB DOI: https://doi.org/10.2210/pdb1XZC/pdb

Classification: HYDROLASE (SERINE ESTERASE)
Organism(s): Fusarium vanettenii
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 1995-11-28 Released: 1996-10-14
Deposition Author(s): Longhi, S., Cambillau, C.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.75 Å
R-Value Work: 0.145
R-Value Observed: 0.145

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

Core Accessibility of Fusarium Solani Pisi Cutinase Explored by Means of Hg Derivatives of the S129C Mutant

Longhi, S., Martinez, C., Nicolas, A., Cambillau, C.

To be published.

Macromolecule Content

Total Structure Weight: 22.72 kDa
Atom Count: 1,633
Modelled Residue Count: 197
Deposited Residue Count: 214
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
CUTINASE	A	214	Fusarium vanettenii	Mutation(s): 1 EC: 3.1.1
UniProt
Find proteins for P00590 (Fusarium vanettenii) Explore P00590 Go to UniProtKB: P00590
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P00590
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
PMB Query on PMB Download Ideal Coordinates CCD File SDF format, chain B [auth A] MOL2 format, chain B [auth A]	B [auth A]	PARA-MERCURY-BENZENESULFONIC ACID C₆ H₅ Hg O₃ S KQAOIKIZSJJTII-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: 1.75 Å
R-Value Work: 0.145
R-Value Observed: 0.145
Space Group: P 1 2₁ 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 35.12	α = 90
b = 67.36	β = 93.9
c = 37.05	γ = 90

Software Package:

Software Name	Purpose
XDS	data scaling
X-PLOR	model building
X-PLOR	refinement
XDS	data reduction
X-PLOR	phasing

Structure Validation

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Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 1996-10-14

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 1996-10-14
Type: Initial release
Version 1.1: 2008-03-24
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Version format compliance
Version 1.3: 2021-11-03
Changes: Database references, Derived calculations

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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 R01GM133198.