Structure of PDB 4ntm Chain A Binding Site BS01

Receptor Information

>4ntm Chain A (length=114) Species: 83333 (Escherichia coli K-12)

MMSTTLFKDFTFEAAHRLPHCGRLHGHSFMVRLEITGEVDPHTGWIIDFA
ELKAAFKPTYERLDHHYLNDIPGLENPTSEVLAKWIWDQVKPVVPLLSAV
MVKETCTAGCIYRG

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 4ntm Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ntm Biochemical and Structural Studies of 6-Carboxy-5,6,7,8-tetrahydropterin Synthase Reveal the Molecular Basis of Catalytic Promiscuity within the Tunnel-fold Superfamily.
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): H16 H31 H33
• Binding residue (residue number reindexed from 1): H16 H25 H27
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C27 H31 H33 E110
• Catalytic site (residue number reindexed from 1): C21 H25 H27 E104
• Enzyme Commision number: 4.1.2.50: 6-carboxytetrahydropterin synthase.

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0016829 lyase activity
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding
• GO:0070497 6-carboxy-5,6,7,8-tetrahydropterin synthase activity

Biological Process

• GO:0008616 queuosine biosynthetic process

External links

• PDB: RCSB:4ntm, PDBe:4ntm, PDBj:4ntm
• PDBsum: 4ntm
• PubMed: 24990950
• UniProt: P65870|QUED_ECOLI 6-carboxy-5,6,7,8-tetrahydropterin synthase (Gene Name=queD)