Structure of PDB 6vju Chain B Binding Site BS01

Receptor Information

>6vju Chain B (length=317) Species: 446 (Legionella pneumophila)

HMIYPNILATIGHTPVVKINRLGKDLECELYAKCEFFNPGGSVKDRIGYE
MVVKAEKEGRIKPGDTLIEPTSGNTGIGIALAGAVLGYKVIITMPEKMSQ
EKQSVLERLGAIIYRTPTEAAYNDPDSHISLAKKLQAEIPNSHILDQYAN
PNNPNAHYFGTAQEIIDDFGKDLHMVVAGVGTGGTITGIAKRLKEFNPAI
KIIGADPEGSILGGGTEIKSYHVEGIGYDFFPDVLDNTLIDAYIKTNDAD
SFRTARRLIKEEGLLIGGSCGAAMWAALQAAKSLSKGQKCLVILPDSIRN
YMSKFANDEWMKEMGFL

Ligand information

• Ligand ID: PLP
• InChI: InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
• InChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
  OpenEye OEToolkits 1.5.0: Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
  ACDLabs 10.04: O=P(O)(O)OCc1cnc(c(O)c1C=O)C
• Formula: C8 H10 N O6 P
• Name: PYRIDOXAL-5'-PHOSPHATE;
  VITAMIN B6 Phosphate
• ChEMBL: CHEMBL82202
• DrugBank: DB00114
• ZINC: ZINC000001532514
• PDB chain: 6vju Chain B Residue 507

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6vju Crystal Structure of Cystathionine beta synthase from Legionella pneumophila with LLP, PLP, and homocysteine
• Resolution: 1.3 Å
• Binding residue (original residue number in PDB): K51 N81 G188 T189 G190 T192 G232 S276 P302 D303
• Binding residue (residue number reindexed from 1): K44 N74 G181 T182 G183 T185 G225 S269 P295 D296
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.47: cysteine synthase.

Gene Ontology

Molecular Function

• GO:0004124 cysteine synthase activity
• GO:0016740 transferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups

Biological Process

• GO:0006535 cysteine biosynthetic process from serine
• GO:0019344 cysteine biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6vju, PDBe:6vju, PDBj:6vju
• PDBsum: 6vju
• UniProt: Q5ZRD1