Structure of PDB 2yrr Chain B Binding Site BS01

Receptor Information

>2yrr Chain B (length=352) Species: 300852 (Thermus thermophilus HB8)

MLLLTPGPTPIPERVQKALLRPMRGHLDPEVLRVNRAIQERLAALFDPGE
GALVAALAGSGSLGMEAGLANLDRGPVLVLVNGAFSQRVAEMAALHGLDP
EVLDFPPGEPVDPEAVARALKRRRYRMVALVHGETSTGVLNPAEAIGALA
KEAGALFFLDAVTTLGMLPFSMRAMGVDYAFTGSQKCLSAPPGLAPIAAS
LEARKAFTGKRGWYLDLARVAEHWERGGYHHTTPVLLHYALLEALDLVLE
EGVAARERRAREVYAWVLEELKARGFRPYPKASPLPTVLVVRPPEGVDAD
RLVRALYAEGVAVAGGIGPTRGQVLRLGLMGEGARREAYQAFLKALDRAL
AL

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: 2yrr Chain B Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2yrr hypothetical alanine aminotransferase (TTH0173) from Thermus thermophilus HB8
• Resolution: 1.86 Å
• Binding residue (original residue number in PDB): S60 G61 S62 F85 T135 D160 V162 K186
• Binding residue (residue number reindexed from 1): S60 G61 S62 F85 T135 D160 V162 K186
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.6.1.-

Gene Ontology

Molecular Function

• GO:0004760 L-serine-pyruvate transaminase activity
• GO:0008453 alanine-glyoxylate transaminase activity
• GO:0008483 transaminase activity

Biological Process

• GO:0019265 glycine biosynthetic process, by transamination of glyoxylate

Cellular Component

• GO:0005777 peroxisome

External links

• PDB: RCSB:2yrr, PDBe:2yrr, PDBj:2yrr
• PDBsum: 2yrr
• UniProt: Q5SLX0