PDBsum entry 3udf

Penicillin-binding protein

PDB id

3udf

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Contents

			Protein chains

					596 a.a.

			Ligands

					MES ×4

			Waters ×924

PDB id:

3udf

Links

Name:

Penicillin-binding protein

Title:

Crystal structure of apo pbp1a from acinetobacter baumannii

Structure:

Penicillin-binding protein 1a. Chain: a, b. Fragment: unp residues 50-764. Engineered: yes

Source:

Acinetobacter baumannii. Organism_taxid: 470. Gene: pona. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

1.70Å

R-factor:

0.178

R-free:

0.199

Authors:

S.Han

Key ref:

S.Han et al. (2011). Distinctive attributes of β-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics. J Am Chem Soc, 133, 20536-20545. PubMed id: 22050378

Date:

28-Oct-11

Release date:

14-Dec-11

PROCHECK

	Headers

	References

Protein chains

G1C794 (G1C794_ACIBA) - Penicillin-binding protein 1A from Acinetobacter baumannii

Seq: Struc:

Seq: Struc:					851 a.a. 596 a.a.

Key:

PfamA domain

Secondary structure

CATH domain



		Enzyme reactions

Enzyme class 1:

E.C.2.4.99.28 - peptidoglycan glycosyltransferase.

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

Reaction:

[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)](n)- di-trans,octa-cis-undecaprenyl diphosphate + beta-D-GlcNAc-(1->4)- Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa- cis-undecaprenyl diphosphate = [GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D- Glu-L-Lys-D-Ala-D-Ala)](n+1)-di-trans,octa-cis-undecaprenyl diphosphate + di-trans,octa-cis-undecaprenyl diphosphate + H⁺

[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)](n)- di-trans,octa-cis-undecaprenyl diphosphate	+	beta-D-GlcNAc-(1->4)- Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa- cis-undecaprenyl diphosphate	=	[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D- Glu-L-Lys-D-Ala-D-Ala)](n+1)-di-trans,octa-cis-undecaprenyl diphosphate	+	di-trans,octa-cis-undecaprenyl diphosphate	+	H(+)

Enzyme class 2:

E.C.3.4.16.4 - serine-type D-Ala-D-Ala carboxypeptidase.

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

Reaction:

D-alanyl-D-alanine + H₂O = 2 D-alanine

[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)](n)- di-trans,octa-cis-undecaprenyl diphosphate	+	beta-D-GlcNAc-(1->4)- Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa- cis-undecaprenyl diphosphate	=	2 × [GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D- Glu-L-Lys-D-Ala-D-Ala)](n+1)-di-trans,octa-cis-undecaprenyl diphosphate

Note, where more than one E.C. class is given (as above), each may correspond to a different protein domain or, in the case of polyprotein precursors, to a different mature protein.

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

	J Am Chem Soc 133:20536-20545 (2011)
PubMed id: 22050378

Distinctive attributes of β-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics.
S.Han, N.Caspers, R.P.Zaniewski, B.M.Lacey, A.P.Tomaras, X.Feng, K.F.Geoghegan, V.Shanmugasundaram.

ABSTRACT

No abstract given.