Structure of PDB 3na8 Chain B Binding Site BS01

Receptor Information

>3na8 Chain B (length=290) Species: 287 (Pseudomonas aeruginosa)

ASIHGIIGYTITPFADGGLDLPALGRSIERLIDGGVHAIAPLGSTGEGAY
LSDPEWDEVVDFTLKTVAHRVPTIVSVSDLTTAKTVRRAQFAESLGAEAV
MVLPISYWKLNEAEVFQHYRAVGEAIGVPVMLYNNPGTSGIDMSVELILR
IVREVDNVTMVKESTGDIQRMHKLRLLGEGRVPFYNGCNPLALEAFVAGA
KGWCSAAPNLIPTLNGQLYQAVLDGDLEKARALFYRQLPLLDFILRRGLP
TTIKAGLGLSGLEVGAPRLPVQALDTEGCRYLQGLLEELR

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: 3na8 Chain B Residue 316

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3na8 Crystal Structure of a putative dihydrodipicolinate synthetase from Pseudomonas aeruginosa
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): V175 V178 D179 V181
• Binding residue (residue number reindexed from 1): V152 V155 D156 V158
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S67 Y130 Y156 T161 K185 C227
• Catalytic site (residue number reindexed from 1): S44 Y107 Y133 T138 K162 C204
• Enzyme Commision number: 4.2.1.52: Transferred entry: 4.3.3.7.

Gene Ontology

Molecular Function

• GO:0008840 4-hydroxy-tetrahydrodipicolinate synthase activity
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:3na8, PDBe:3na8, PDBj:3na8
• PDBsum: 3na8
• UniProt: Q9I6R5