3ZNT

Crystal structure of OXA-24 class D beta-lactamase with tazobactam

PDB DOI: https://doi.org/10.2210/pdb3ZNT/pdb

Classification: HYDROLASE
Organism(s): Acinetobacter baumannii
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2013-02-18 Released: 2014-01-08
Deposition Author(s): Power, P., Sauvage, E., Herman, R., Kerff, F., Charlier, P.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.95 ?
R-Value Free: 0.209
R-Value Work: 0.182
R-Value Observed: 0.183

Starting Model: experimental
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Ligand Structure Quality Assessment

This is version 1.1 of the entry. See complete history.

Literature

Crystal Structure of Oxa-24 Beta-Lactamase Inhibited by Tazobactam

Power, P., Sauvage, E., Herman, R., Galleni, M., Gutkind, G., Charlier, P., Kerff, F.

To be published.

Macromolecule Content

Total Structure Weight: 28.13 kDa
Atom Count: 2,053
Modelled Residue Count: 245
Deposited Residue Count: 245
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
BETA-LACTAMASE	A	245	Acinetobacter baumannii	Mutation(s): 0 EC: 3.5.2.6
UniProt
Find proteins for Q8RLA6 (Acinetobacter baumannii) Explore Q8RLA6 Go to UniProtKB: Q8RLA6
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q8RLA6
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
TBE Query on TBE Download Ideal Coordinates CCD File SDF format, chain B [auth A] MOL2 format, chain B [auth A] mmCIF format, chain B [auth A]	B [auth A]	TAZOBACTAM INTERMEDIATE C₁₀ H₁₄ N₄ O₅ S ANZZKUOZZHRUQC-AARLMMRRSA-N		Interactions Focus chain B [auth A] Interactions & Density Focus chain B [auth A]
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain C [auth A] MOL2 format, chain C [auth A] mmCIF format, chain C [auth A]	C [auth A]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain C [auth A] Interactions & Density Focus chain C [auth A]

Modified Residues 1 Unique
ID	Chains	Type	Formula	2D Diagram	Parent
KCX Query on KCX	A	L-PEPTIDE LINKING	C₇ H₁₄ N₂ O₄		LYS

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.95 ?
R-Value Free: 0.209
R-Value Work: 0.182
R-Value Observed: 0.183
Space Group: P 4₁ 2₁ 2

Unit Cell:

Length ( ? )	Angle ( ? )
a = 102.898	α = 90
b = 102.898	β = 90
c = 86.344	γ = 90

Software Package:

Software Name	Purpose
REFMAC	refinement
XDS	data reduction
XSCALE	data scaling

Structure Validation

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Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2014-01-08

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2014-01-08
Type: Initial release
Version 1.1: 2023-12-20
Changes: Data collection, Database references, Derived calculations, Other, Refinement description

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3ZNT

Crystal structure of OXA-24 class D beta-lactamase with tazobactam

Crystal Structure of Oxa-24 Beta-Lactamase Inhibited by Tazobactam

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

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Experimental Data

Structure Validation

Ligand Structure Quality Assessment

Deposition Data

Revision History (Full details and data files)