Structure of PDB 4i42 Chain A

Receptor sequence

>4i42A (length=285) Species: 83333 (Escherichia coli K-12)

MIYPDEAMLYAPVEWHDCSEGFEDIRYEKSTDGIAKITINRPQVRNAFRP
LTVKEMIQALADARYDDNIGVIILTGAGDKAFCSGGDQKVRGDYGGYKDD
SGVHHLNVLDFQRQIRTCPKPVVAMVAGYSIGGGHVLHMMCDLTIAADNA
IFGQTGPKVGSFDGGWGASYMARIVGQKKAREIWFLCRQYDAKQALDMGL
VNTVVPLADLEKETVRWCREMLQNSPMALRCLKAALNADCDGQAGLQELA
GNATMLFYMTEEGQEGRNAFNQKRQPDFSKFKRNP

3D structure

• PDB: 4i42 Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme A synthase from the crotonase fold superfamily
• Chain: A
• Resolution: 1.848 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): G86 R91 Y97 H105 L109 G133 V136 G156 S161 D163 G164 A250 Y258
• Catalytic site (residue number reindexed from 1): G86 R91 Y97 H105 L109 G133 V136 G156 S161 D163 G164 A250 Y258
• Enzyme Commision number: 4.1.3.36: 1,4-dihydroxy-2-naphthoyl-CoA synthase.

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	1HA	A	V44 R45 S84 G85 G86 D87 Q88 K89 Y97 V108 Y129 G133 T155 S161	V44 R45 S84 G85 G86 D87 Q88 K89 Y97 V108 Y129 G133 T155 S161
BS02	1HA	A	T254 F270 K273	T254 F270 K273

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0005515 protein binding
• GO:0008935 1,4-dihydroxy-2-naphthoyl-CoA synthase activity
• GO:0016829 lyase activity
• GO:0071890 bicarbonate binding

Biological Process

• GO:0009234 menaquinone biosynthetic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:4i42, PDBe:4i42, PDBj:4i42
• PDBsum: 4i42
• PubMed: 23658663
• UniProt: P0ABU0|MENB_ECOLI 1,4-dihydroxy-2-naphthoyl-CoA synthase (Gene Name=menB)