Structure of PDB 2dr1 Chain A Binding Site BS01

Receptor Information

>2dr1 Chain A (length=381) Species: 70601 (Pyrococcus horikoshii OT3)

EFEEAFKEVYEMVKPKYKLFTAGPVACFPEVLEIMKVQMFSHRSKEYRKV
HMDTVERLREFLEVEKGEVLLVPSSGTGIMEASIRNGVSKGGKVLVTIIG
AFGKRYKEVVESNGRKAVVLEYEPGKAVKPEDLDDALRKNPDVEAVTITY
NETSTGVLNPLPELAKVAKEHDKLVFVDAVSAMGGADIKFDKWGLDVVFS
SSQKAFGVPPGLAIGAFSERFLEIAEKMPERGWYFDIPLYVKYLKEKEST
PSTPPMPQVFGINVALRIIEKMGGKEKWLEMYEKRAKMVREGVREIGLDI
LAEPGHESPTITAVLTPPGIKGDEVYEAMRKRGFELAKGYGSVKEKTFRI
GHMGYMKFEDIQEMLDNLREVINELKKQKGI

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: 2dr1 Chain A Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2dr1 Crystal structure of the PH1308 protein from Pyrococcus horikoshii OT3
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): S79 G80 T81 F106 T157 D182 V184 S205 K208
• Binding residue (residue number reindexed from 1): S75 G76 T77 F102 T153 D178 V180 S201 K204
• Annotation score: 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:2dr1, PDBe:2dr1, PDBj:2dr1
• PDBsum: 2dr1
• UniProt: O59033