Structure of PDB 5ucr Chain A Binding Site BS03

Receptor Information

>5ucr Chain A (length=271) Species: 521006 (Neisseria gonorrhoeae NCCP11945)

HMQIIHTIRELRTWRENTGKVAFVPTMGNLHEGHLALVREARKRADNVVV
SIFVNRLQFGQRTLQQDADKLAAEGVAVVFAPDEKELYPNVEQRYNVEPP
HLQNELCGKFRPGHFRGVATVVSKLFNIVLPDVACFGKKDYQQLAVIKGL
TEDLNFDIEIVPVDTGRAADGLALSSRNRYLSVGERAEAPRLYRELQAVA
ESLKQGGLDYAGLERQAADHLTAAGWLVDYVEIRRADTLEMARAGDKKLV
VLAAARLGTTRLIDNVEVGLP

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: 5ucr Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ucr Crystal Structure of a Pantoate-beta-alanine Ligase from Neisseria gonorrhoeae with bound AMPPNP and Alanine
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): M26 G27 H33 S183
• Binding residue (residue number reindexed from 1): M27 G28 H34 S176
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): M26 H30 H33 Q73 D74 K77 K146 S182 S183 R184
• Catalytic site (residue number reindexed from 1): M27 H31 H34 Q66 D67 K70 K139 S175 S176 R177
• Enzyme Commision number: 6.3.2.1: pantoate--beta-alanine ligase (AMP-forming).

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004592 pantoate-beta-alanine ligase activity
• GO:0005524 ATP binding
• GO:0016874 ligase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009058 biosynthetic process
• GO:0015940 pantothenate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:5ucr, PDBe:5ucr, PDBj:5ucr
• PDBsum: 5ucr
• UniProt: B4RKE7