PDBsum entry 4zjz

Ligase

PDB id: 4zjz

Contents

Protein chains

517 a.a.

Ligands

OOB ×2

BEZ ×2

GOL ×10

Waters ×647

PDB id:

4zjz

Name:

Ligase

Title:

Crystal structure of a benzoate coenzyme a ligase with benzoyl-amp

Structure:

Benzoate-coenzyme a ligase. Chain: a, b. Engineered: yes

Source:

Rhodopseudomonas palustris. Organism_taxid: 1076. Gene: bada. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

1.70Å R-factor: 0.154 R-free: 0.192

Authors:

S.Strom,M.Nosrati,C.Thornburg,K.D.Walker,J.H.Geiger

Key ref:

C.K.Thornburg et al. (2015). Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity. Biochemistry, 54, 6230-6242. PubMed id: 26378464 DOI: 10.1021/acs.biochem.5b00899

Date:

29-Apr-15 Release date: 30-Sep-15

Protein chains

Q6NC13  (Q6NC13_RHOPA) -  Benzoate-CoA ligase from Rhodopseudomonas palustris (strain ATCC BAA-98 / CGA009)

Seq: 524 a.a.

Struc: 517 a.a.*

* PDB and UniProt seqs differ at 6 residue positions (black crosses)

Enzyme reactions

• Enzyme class: E.C.6.2.1.25 - benzoate--CoA ligase.
• Reaction: benzoate + ATP + CoA = benzoyl-CoA + AMP + diphosphate

benzoate + ATP (Bound ligand (Het Group name = BEZ) corresponds exactly) + CoA = benzoyl-CoA (Bound ligand (Het Group name = OOB) matches with 74.19% similarity) + AMP + diphosphate

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

reference

DOI no: 10.1021/acs.biochem.5b00899

Biochemistry 54:6230-6242 (2015)

PubMed id: 26378464

Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.

C.K.Thornburg, S.Wortas-Strom, M.Nosrati, J.H.Geiger, K.D.Walker.

ABSTRACT

No abstract given.