Structure of PDB 4i4z Chain I Binding Site BS02

Receptor Information

>4i4z Chain I (length=275) Species: 1111708 (Synechocystis sp. PCC 6803 substr. Kazusa)

MDWHIAKHYDDILYYKAGGIAKIVINRPHKRNAFRPQTVFELYDAFCNAR
EDNRIGVVLLTGAGPHSDGKYAFCSGGDQSVRGEGGYIDDQGTPRLNVLD
LQRLIRSMPKVVIALVAGYAIGGGHVLHLVCDLTIAADNAIFGQTGPKVG
SFDGGFGSSYLARIVGQKKAREIWYLCRQYSAQEAERMGMVNTVVPVDRL
EEEGIQWAKEILSKSPLAIRCLKAAFNADCDGQAGLQELAGNATLLYYMT
EEGSEGKQAFLEKRPPDFSQYPWLP

Ligand information

• Ligand ID: BCT
• InChI: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
• InChIKey: BVKZGUZCCUSVTD-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.5.0: C(=O)(O)[O-]
  CACTVS 3.341: OC([O-])=O
  ACDLabs 10.04: [O-]C(=O)O
• Formula: C H O3
• Name: BICARBONATE ION
• PDB chain: 4i4z Chain I Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4i4z Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme a synthase from the crotonase fold superfamily
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): G122 Q144 T145 G146 W174
• Binding residue (residue number reindexed from 1): G122 Q144 T145 G146 W174
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): G77 R82 Y87 R95 L99 G123 V126 G146 S151 D153 G154 A240 Y248
• Catalytic site (residue number reindexed from 1): G77 R82 Y87 R95 L99 G123 V126 G146 S151 D153 G154 A240 Y248
• Enzyme Commision number: 4.1.3.36: 1,4-dihydroxy-2-naphthoyl-CoA synthase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0008935 1,4-dihydroxy-2-naphthoyl-CoA synthase activity
• GO:0016829 lyase activity

Biological Process

• GO:0009234 menaquinone biosynthetic process
• GO:0042372 phylloquinone biosynthetic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:4i4z, PDBe:4i4z, PDBj:4i4z
• PDBsum: 4i4z
• PubMed: 23658663
• UniProt: P73495