Structure of PDB 4k49 Chain D

Receptor sequence

>4k49D (length=136) Species: 83333 (Escherichia coli K-12)

MIWKRKITLEALNAMGEGNMVGFLDIRFEHIGDDTLEATMPVDSRTKQPF
GLLHGGASVVLAESIGSVAGYLCTEGEQKVVGLEINANHVRSAREGRVRG
VCKPLHLGSRHQVWQIEIFDEKGRLCCSSRLTTAIL

3D structure

• PDB: 4k49 Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
• Chain: D
• Resolution: 1.89 Å

Enzymatic activity

• Enzyme Commision number: 3.1.2.28: 1,4-dihydroxy-2-naphthoyl-CoA hydrolase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	HFQ	D	H106 G108 S109 R110 H111	H106 G108 S109 R110 H111	MOAD: Ki=2.5uM
BS02	HFQ	D	Q48 P49 H54 G55 H89 V90 R91 S92 R94	Q48 P49 H54 G55 H89 V90 R91 S92 R94	MOAD: Ki=2.5uM
BS03	HFQ	D	S67 V81 G82 L136	S67 V81 G82 L136	MOAD: Ki=2.5uM

Gene Ontology

Molecular Function

• GO:0016289 acyl-CoA hydrolase activity
• GO:0016787 hydrolase activity
• GO:0016790 thiolester hydrolase activity
• GO:0061522 1,4-dihydroxy-2-naphthoyl-CoA thioesterase activity

Biological Process

• GO:0009234 menaquinone biosynthetic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:4k49, PDBe:4k49, PDBj:4k49
• PDBsum: 4k49
• PubMed: 25010423
• UniProt: P77781|MENI_ECOLI 1,4-dihydroxy-2-naphthoyl-CoA hydrolase (Gene Name=menI)