PDBsum entry 3u9s

Ligase

PDB id: 3u9s

Contents

Protein chains

621 a.a.

(+ 0 more) 537 a.a.

552 a.a.

498 a.a.

Ligands

BTI ×2

COA ×6

PDB id:

3u9s

Name:

Ligase

Title:

Crystal structure of p. Aeruginosa 3-methylcrotonyl-coa carboxylase (mcc) 750 kd holoenzyme, coa complex

Structure:

Methylcrotonyl-coa carboxylase, alpha-subunit. Chain: a, c, e, g, i, k. Synonym: mcc alpha. Engineered: yes. Methylcrotonyl-coa carboxylase, beta-subunit. Chain: b, d, f, h, j, l. Synonym: mcc beta. Engineered: yes

Source:

Pseudomonas aeruginosa. Organism_taxid: 287. Gene: liud, pa2012. Expressed in: escherichia coli. Expression_system_taxid: 562. Gene: liub, pa2014. Expression_system_taxid: 562

Resolution:

3.50Å R-factor: 0.234 R-free: 0.292

Authors:

C.S.Huang,L.Tong

Key ref:

C.S.Huang et al. (2011). An unanticipated architecture of the 750-kDa α6β6 holoenzyme of 3-methylcrotonyl-CoA carboxylase. Nature, 481, 219-223. PubMed id: 22158123

Date:

19-Oct-11 Release date: 14-Dec-11

Protein chain

Q9I299  (Q9I299_PSEAE) -  Methylcrotonyl-CoA carboxylase, alpha-subunit (Biotin-containing) from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)

Seq: 655 a.a.

Struc: 621 a.a.

Protein chains

Q9I297  (Q9I297_PSEAE) -  Methylcrotonyl-CoA carboxylase, beta-subunit from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)

Seq: 535 a.a.

Struc: 537 a.a.

Protein chains

Q9I299  (Q9I299_PSEAE) -  Methylcrotonyl-CoA carboxylase, alpha-subunit (Biotin-containing) from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)

Seq: 655 a.a.

Struc: 552 a.a.

Protein chains

Q9I299  (Q9I299_PSEAE) -  Methylcrotonyl-CoA carboxylase, alpha-subunit (Biotin-containing) from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)

Seq: 655 a.a.

Struc: 498 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class: Chains A, B, C, D, E, F, G, H, I, J, K, L: E.C.6.4.1.4 - methylcrotonoyl-CoA carboxylase.
• Reaction: 3-methylbut-2-enoyl-CoA + hydrogencarbonate + ATP = 3-methyl-(2E)- glutaconyl-CoA + ADP + phosphate + H⁺

3-methylbut-2-enoyl-CoA + hydrogencarbonate + ATP = 3-methyl-(2E)- glutaconyl-CoA + ADP (Bound ligand (Het Group name = COA) matches with 56.25% similarity) + phosphate + H(+)

• Cofactor: Biotin

Biotin (Bound ligand (Het Group name = BTI) matches with 93.75% similarity)

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

reference

Nature 481:219-223 (2011)

PubMed id: 22158123

An unanticipated architecture of the 750-kDa α6β6 holoenzyme of 3-methylcrotonyl-CoA carboxylase.

C.S.Huang, P.Ge, Z.H.Zhou, L.Tong.

ABSTRACT

No abstract given.