Structure of PDB 6l1l Chain A Binding Site BS01

Receptor Information

>6l1l Chain A (length=375) Species: 1423 (Bacillus subtilis)

MEITPSDVIKTLPRQEIINLGQGNPDLPTPPHIVEALREASLNPSFHGYG
PFRGYPFLKEAIAAFYKREYGVTINPETEVALFGGGKAGLYVLTQCLLNP
GDIALVPNPGYPEYLSGITMARAELYEMPLYEENGYLPDFEKIDPAVLEK
AKLMFLNYPNNPTGAVADAAFYAKAAAFAKEHNIHLIHDFAYGAFEFDQK
PASFLEAEDAKTVGAELYSFSKTFNMAGWRMAFAVGNEKIIQAVNEFQDH
VFVGMFGGLQQAASAALSGDPEHTESLKRIYKERIDFFTALCEKELGWKM
EKPKGTFYVWAEIPNTFETSHQFSDYLLEHAHVVVTPGEIFGSNGKRHVR
ISMVSKQEDLREFVTRIQKLNLPFG

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: 6l1l Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6l1l Structural insights into the catalytic mechanism of Bacillus subtilis BacF.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): G103 K104 Y128 N174 N178 D206 Y209 S236 S238 K239 R247
• Binding residue (residue number reindexed from 1): G86 K87 Y111 N157 N161 D189 Y192 S219 S221 K222 R230
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.6.1.-

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0008483 transaminase activity
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0009058 biosynthetic process
• GO:0017000 antibiotic biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6l1l, PDBe:6l1l, PDBj:6l1l
• PDBsum: 6l1l
• PubMed: 32134000
• UniProt: P39643|BACF_BACSU Transaminase BacF (Gene Name=bacF)