PDBsum entry 1qwz

Hydrolase

PDB id

1qwz

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Contents

			Protein chain

					235 a.a. *

			Ligands

					SO4


					ETM

			Metals

					_NI ×4

			Waters ×290

* Residue conservation analysis

PDB id:

1qwz

Links

Name:

Hydrolase

Title:

Crystal structure of sortase b from s. Aureus complexed with mtset

Structure:

Npqtn specific sortase b. Chain: a. Engineered: yes

Source:

Staphylococcus aureus. Organism_taxid: 1280. Strain: bl21. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

1.75Å

R-factor:

0.183

R-free:

0.228

Authors:

Y.Zong,S.K.Mazmanian,O.Schneewind,S.V.Narayana

Key ref:

Y.Zong et al. (2004). The structure of sortase B, a cysteine transpeptidase that tethers surface protein to the Staphylococcus aureus cell wall. Structure, 12, 105-112. PubMed id: 14725770

Date:

03-Sep-03

Release date:

06-Apr-04

PROCHECK

	Headers

	References

Protein chain

Q2FZE3 (Q2FZE3_STAA8) - Sortase B from Staphylococcus aureus (strain NCTC 8325 / PS 47)

Seq: Struc:					244 a.a. 235 a.a.*

Key:

PfamA domain

Secondary structure

CATH domain

* PDB and UniProt seqs differ at 21 residue positions (black crosses)



		Enzyme reactions

Enzyme class:

E.C.3.4.22.71 - sortase B.

[IntEnz] [ExPASy] [KEGG] [BRENDA]

	Structure 12:105-112 (2004)
PubMed id: 14725770

The structure of sortase B, a cysteine transpeptidase that tethers surface protein to the Staphylococcus aureus cell wall.
Y.Zong, S.K.Mazmanian, O.Schneewind, S.V.Narayana.

ABSTRACT

Many surface proteins of Gram-positive bacteria, which play important roles during the pathogenesis of human infections, are anchored to the cell wall envelope by a mechanism requiring sortases. Sortase B, a cysteine transpeptidase from Staphylococcus aureus, cleaves the C-terminal sorting signal of IsdC at the NPQTN motif and tethers the polypeptide to the pentaglycine cell wall cross-bridge. During catalysis, the active site cysteine of sortase and the cleaved substrate form an acyl intermediate, which is then resolved by the amino group of pentaglycine cross-bridges. We report here the crystal structures of SrtBDeltaN30 in complex with two active site inhibitors, MTSET and E64, and with the cell wall substrate analog tripleglycine. These structures reveal, for the first time, the active site disposition and the unique Cys-Arg catalytic machinery of the cysteine transpeptidase, and they also provide useful information for the future design of anti-infective agents against sortases.

Literature references that cite this PDB file's key reference

PubMed id

Reference

21326273

A.P.Hendrickx, J.M.Budzik, S.Y.Oh, and O.Schneewind (2011).
Architects at the bacterial surface - sortases and the assembly of pili with isopeptide bonds.

Nat Rev Microbiol, 9, 166-176.

21264317

H.J.Kang, F.Coulibaly, T.Proft, and E.N.Baker (2011).
Crystal structure of Spy0129, a Streptococcus pyogenes class B sortase involved in pilus assembly.

PLoS One, 6, e15969.

PDB code:

3psq

20176854

I.Bruhova, and B.S.Zhorov (2010).
A homology model of the pore domain of a voltage-gated calcium channel is consistent with available SCAM data.

J Gen Physiol, 135, 261-274.

20593474

K.W.Clancy, J.A.Melvin, and D.G.McCafferty (2010).
Sortase transpeptidases: insights into mechanism, substrate specificity, and inhibition.

Biopolymers, 94, 385-396.

19592495

N.Suree, C.K.Liew, V.A.Villareal, W.Thieu, E.A.Fadeev, J.J.Clemens, M.E.Jung, and R.T.Clubb (2009).
The structure of the Staphylococcus aureus sortase-substrate complex reveals how the universally conserved LPXTG sorting signal is recognized.

J Biol Chem, 284, 24465-24477.

PDB code:

2kid

19129180

P.R.Race, M.L.Bentley, J.A.Melvin, A.Crow, R.K.Hughes, W.D.Smith, R.B.Sessions, M.A.Kehoe, D.G.McCafferty, and M.J.Banfield (2009).
Crystal Structure of Streptococcus pyogenes Sortase A: IMPLICATIONS FOR SORTASE MECHANISM.

J Biol Chem, 284, 6924-6933.

PDB codes:

3fn5 3fn6 3fn7

19081060

C.Manzano, C.Contreras-Martel, L.El Mortaji, T.Izoré, D.Fenel, T.Vernet, G.Schoehn, A.M.Di Guilmi, and A.Dessen (2008).
Sortase-mediated pilus fiber biogenesis in Streptococcus pneumoniae.

Structure, 16, 1838-1848.

PDB codes:

2w1j 2w1k

18266854

S.Dramsi, S.Magnet, S.Davison, and M.Arthur (2008).
Covalent attachment of proteins to peptidoglycan.

FEMS Microbiol Rev, 32, 307-320.

17200112

M.L.Bentley, H.Gaweska, J.M.Kielec, and D.G.McCafferty (2007).
Engineering the substrate specificity of Staphylococcus aureus Sortase A. The beta6/beta7 loop from SrtB confers NPQTN recognition to SrtA.

J Biol Chem, 282, 6571-6581.

16470658

C.L.Gatlin, R.Pieper, S.T.Huang, E.Mongodin, E.Gebregeorgis, P.P.Parmar, D.J.Clark, H.Alami, L.Papazisi, R.D.Fleischmann, S.R.Gill, and S.N.Peterson (2006).
Proteomic profiling of cell envelope-associated proteins from Staphylococcus aureus.

Proteomics, 6, 1530-1549.

16287140

J.Bielnicki, Y.Devedjiev, U.Derewenda, Z.Dauter, A.Joachimiak, and Z.S.Derewenda (2006).
B. subtilis ykuD protein at 2.0 A resolution: insights into the structure and function of a novel, ubiquitous family of bacterial enzymes.

Proteins, 62, 144-151.

PDB code:

1y7m

16524923

L.A.Marraffini, A.C.Dedent, and O.Schneewind (2006).
Sortases and the art of anchoring proteins to the envelopes of gram-positive bacteria.

Microbiol Mol Biol Rev, 70, 192-221.

15718231

L.A.Marraffini, and O.Schneewind (2005).
Anchor structure of staphylococcal surface proteins. V. Anchor structure of the sortase B substrate IsdC.

J Biol Chem, 280, 16263-16271.

14725759

A.Dessen (2004).
A new catalytic dyad regulates anchoring of molecules to the Gram-positive cell wall by sortases.

Structure, 12, 6-7.

15247224

L.A.Marraffini, H.Ton-That, Y.Zong, S.V.Narayana, and O.Schneewind (2004).
Anchoring of surface proteins to the cell wall of Staphylococcus aureus. A conserved arginine residue is required for efficient catalysis of sortase A.

J Biol Chem, 279, 37763-37770.

15576331

S.J.Snipas, E.Wildfang, T.Nazif, L.Christensen, K.M.Boatright, M.Bogyo, H.R.Stennicke, and G.S.Salvesen (2004).
Characteristics of the caspase-like catalytic domain of human paracaspase.

Biol Chem, 385, 1093-1098.

15117963

Y.Zong, T.W.Bice, H.Ton-That, O.Schneewind, and S.V.Narayana (2004).
Crystal structures of Staphylococcus aureus sortase A and its substrate complex.

J Biol Chem, 279, 31383-31389.

PDB codes:

1t2o 1t2p 1t2w

The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time. Where a reference describes a PDB structure, the PDB code is shown on the right.