2WMY

Crystal structure of the tyrosine phosphatase Wzb from Escherichia coli K30 in complex with sulphate.

PDB DOI: https://doi.org/10.2210/pdb2WMY/pdb

Classification: HYDROLASE
Organism(s): Escherichia coli
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2009-07-03 Released: 2009-07-21
Deposition Author(s): Huang, H., Hagelueken, G., Whitfield, C., Naismith, J.H.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.21 Å
R-Value Free: 0.261
R-Value Work: 0.206
R-Value Observed: 0.209

wwPDB Validation 3D Report Full Report

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

Literature

Crystal Structures of the Capsular Export Regulating Tyrosine Phosphatases Wzb of Escherichia Coli and Cpsb of Streptococcus Pneumoniae.

Hagelueken, G., Huang, H., Mainprize, I.L., Whitfield, C., Naismith, J.H.

To be published.

Macromolecule Content

Total Structure Weight: 135.58 kDa
Atom Count: 9,706
Modelled Residue Count: 1,144
Deposited Residue Count: 1,200
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
PUTATIVE ACID PHOSPHATASE WZB	A, B, C, D, E A, B, C, D, E, F, G, H	150	Escherichia coli	Mutation(s): 1 EC: 3.1.3.48
UniProt
Find proteins for Q9X4B8 (Escherichia coli) Explore Q9X4B8 Go to UniProtKB: Q9X4B8
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q9X4B8
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain K [auth B] SDF format, chain N [auth C] SDF format, chain Q [auth F] SDF format, chain I [auth A] SDF format, chain L [auth B] SDF format, chain O [auth D] SDF format, chain P [auth E] SDF format, chain R [auth F] SDF format, chain S [auth G] SDF format, chain T [auth H] SDF format, chain U [auth H] SDF format, chain V [auth H] MOL2 format, chain K [auth B] MOL2 format, chain N [auth C] MOL2 format, chain Q [auth F] MOL2 format, chain I [auth A] MOL2 format, chain L [auth B] MOL2 format, chain O [auth D] MOL2 format, chain P [auth E] MOL2 format, chain R [auth F] MOL2 format, chain S [auth G] MOL2 format, chain T [auth H] MOL2 format, chain U [auth H] MOL2 format, chain V [auth H]	I [auth A] K [auth B] L [auth B] N [auth C] O [auth D] I [auth A], K [auth B], L [auth B], N [auth C], O [auth D], P [auth E], Q [auth F], R [auth F], S [auth G], T [auth H], U [auth H], V [auth H]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain I [auth A] Focus chain K [auth B] Focus chain L [auth B] Focus chain N [auth C] Focus chain O [auth D] Focus chain P [auth E] Focus chain Q [auth F] Focus chain R [auth F] Focus chain S [auth G] Focus chain T [auth H] Focus chain U [auth H] Focus chain V [auth H] Interactions & Density Focus chain I [auth A] Focus chain K [auth B] Focus chain L [auth B] Focus chain N [auth C] Focus chain O [auth D] Focus chain P [auth E] Focus chain Q [auth F] Focus chain R [auth F] Focus chain S [auth G] Focus chain T [auth H] Focus chain U [auth H] Focus chain V [auth H]
NI Query on NI Download Ideal Coordinates CCD File SDF format, chain J [auth A] SDF format, chain M [auth B] MOL2 format, chain J [auth A] MOL2 format, chain M [auth B]	J [auth A], M [auth B]	NICKEL (II) ION Ni VEQPNABPJHWNSG-UHFFFAOYSA-N		Interactions Focus chain J [auth A] Focus chain M [auth B] Interactions & Density Focus chain J [auth A] Focus chain M [auth B]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.21 Å
R-Value Free: 0.261
R-Value Work: 0.206
R-Value Observed: 0.209
Space Group: P 1 2₁ 1

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 101.902	α = 90
b = 53.062	β = 90.01
c = 113.909	γ = 90

Software Package:

Software Name	Purpose
PHENIX	refinement
HKL-2000	data reduction
HKL-2000	data scaling
PHASER	phasing

Structure Validation

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Entry History

Deposition Data

Released Date: 2009-07-21

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2009-07-21
Type: Initial release
Version 1.1: 2011-05-08
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Version format compliance
Version 1.3: 2023-12-13
Changes: Data collection, Database references, Derived calculations, Other, Refinement description

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Help and Resources

2WMY

Crystal structure of the tyrosine phosphatase Wzb from Escherichia coli K30 in complex with sulphate.

Crystal Structures of the Capsular Export Regulating Tyrosine Phosphatases Wzb of Escherichia Coli and Cpsb of Streptococcus Pneumoniae.

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

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Experimental Data

Structure Validation

Deposition Data

Revision History (Full details and data files)