Structure of PDB 1a82 Chain A Binding Site BS01

Receptor Information

>1a82 Chain A (length=224) Species: 562 (Escherichia coli)

SKRYFVTGTDTEVGKTVASCALLQAAKAAGYRTAGYKPVASGSEKTPEGL
RNSDALALQRNSSLQLDYATVNPYTFAEPTSPHIISAQEGRPIESLVMSA
GLRALEQQADWVLVEGAGGWFTPLSDTFTFADWVTQEQLPVILVVGVKLG
CINHAMLTAQVIQHAGLTLAGWVANDVTPPGKRHAEYMTTLTRMIPAPLL
GEIPWLAENPENAATGKYINLALL

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 1a82 Chain A Residue 901

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1a82 Snapshot of a phosphorylated substrate intermediate by kinetic crystallography.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): T16 D54 E115
• Binding residue (residue number reindexed from 1): T16 D54 E115
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): T11 E12 K15 T16 K37 S41 D54 E115
• Catalytic site (residue number reindexed from 1): T11 E12 K15 T16 K37 S41 D54 E115
• Enzyme Commision number: 6.3.3.3: dethiobiotin synthase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004141 dethiobiotin synthase activity
• GO:0005524 ATP binding
• GO:0016874 ligase activity
• GO:0042803 protein homodimerization activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009102 biotin biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:1a82, PDBe:1a82, PDBj:1a82
• PDBsum: 1a82
• PubMed: 9576910
• UniProt: P13000|BIOD1_ECOLI ATP-dependent dethiobiotin synthetase BioD 1 (Gene Name=bioD1)