Structure of PDB 4xg1 Chain B Binding Site BS02

Receptor Information

>4xg1 Chain B (length=418) Species: 357804 (Psychromonas ingrahamii 37)

DHFNYQNDGRLFVEGLPVEQVVKKTGTPAYIYSRATIERHWQAFDSAAGK
HPHLICYAVKANSNLAVLNLMARMGSGFDIVSVGELMRVIQAGGDPKKIV
FSGVGKTEIEISAALQANIMCFNVESISELYRINSVAKALNVKAPISIRI
NPNIDAGTHPYISTGLKENKFGIEIEQALDVYKIASDLEFLEIKGVDCHI
GSQLTEIAPFIEALDKLLILIDLLAEKGITISHLDLGGGLGVPYDDETPP
EPAEYMTAIINRMAGRSLKLIFEPGRAIMANAGVLVTKVEFLKLNKNFAI
VDAAMNDLIRPALYSAWQNIIPLNTDYQDGQDRPVRSYDIVGPICETGDF
LGKERQLALAEGDYLVIRSTGAYGSTMSSNYNSRCRAAEILVDGEKAFIV
REREELKDLWRGEHILPI

Ligand information

• Ligand ID: TME
• InChI: InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
• InChIKey: ATUOYWHBWRKTHZ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: CCC
• Formula: C3 H8
• Name: PROPANE
• ChEMBL: CHEMBL135416
• PDB chain: 4xg1 Chain B Residue 505

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4xg1 Expression to crystallization of diaminopimelate decarboxylase from the psychrophile Psychromonas ingrahamii
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): E207 I208 A209
• Binding residue (residue number reindexed from 1): E206 I207 A208
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K61 H200 E274
• Catalytic site (residue number reindexed from 1): K60 H199 E273
• Enzyme Commision number: 4.1.1.20: diaminopimelate decarboxylase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0008836 diaminopimelate decarboxylase activity
• GO:0016830 carbon-carbon lyase activity
• GO:0016831 carboxy-lyase activity
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0009085 lysine biosynthetic process
• GO:0009089 lysine biosynthetic process via diaminopimelate

External links

• PDB: RCSB:4xg1, PDBe:4xg1, PDBj:4xg1
• PDBsum: 4xg1
• UniProt: A1SR00