Structure of PDB 5g4i Chain B Binding Site BS02

Receptor Information

>5g4i Chain B (length=422) Species: 290340 (Paenarthrobacter aurescens TC1)

DLLARRYATIGPHSPLFYRQPLELVSGSGVWLTDAQGKVYLDGYNNVPHV
GHANPAVADAIYQQLLTVNLHTRYLNSRVVEYAEALLSKFDGALERLFLT
NSGSEANELALRIARQHTGNTGVLVSDFSYHGNTTSLAEITTGLTVHEPL
GAHVRALRIPDVSGIAEVDVPVLLEQSLADVDAAIASLQAAGHGVSVFLF
DPLFSTEGLLQLPSGYIEGVATRVRAAGGLVISDEVQSGFGRTGSGMWGY
QMFNVEPELVTMGKPMGNGHPIGAVVTTAELLDEFGRHNMFFNTFAGNPV
SSAAGLAVLRYMDQEDLMAKADQLGKYIRKRLENIAQRSGNVGSVRGRGL
FFGIDIIESDGSRNPAPALTKILIEDMRERGVLISRVGPHDNVLKMRPPL
VFGREHADILLGQLELSLASLP

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 5g4i Chain B Residue 1441

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5g4i Structural Basis for Phospholyase Activity of a Class III Transaminase Homologue.
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): Y61 Q254 R414
• Binding residue (residue number reindexed from 1): Y44 Q237 R397
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S31 Y147 D218 D251 Q254 K281 T311 K412
• Catalytic site (residue number reindexed from 1): S14 Y130 D201 D234 Q237 K264 T294 K395
• Enzyme Commision number: 4.2.3.2: ethanolamine-phosphate phospho-lyase.

Gene Ontology

Molecular Function

• GO:0008483 transaminase activity
• GO:0030170 pyridoxal phosphate binding

External links

• PDB: RCSB:5g4i, PDBe:5g4i, PDBj:5g4i
• PDBsum: 5g4i
• PubMed: 27709756
• UniProt: A1RDF1