Structure of PDB 1eg5 Chain B Binding Site BS01

Receptor Information

>1eg5 Chain B (length=365) Species: 2336 (Thermotoga maritima)

MRVYFDNNATTRVDDRVLEEMIVFYREKYGNPNSAHGMGIEANLHMEKAR
EKVAKVLGVSPSEIFFTSCATESINWILKTVAETFEKRKRTIITTPIEHK
AVLETMKYLSMKGFKVKYVPVDSRGVVKLEELEKLVDEDTFLVSIMAANN
EVGTIQPVEDVTRIVKKKNKETLVHVDAVQTIGKIPFSLEKLEVDYASFS
AHKFHGPKGVGITYIRKGVPIRPLIHGGGQERGLRSGTQNVPGIVGAARA
MEIAVEELSEAAKHMEKLRSKLVSGLMNLGAHIITPLEISLPNTLSVSFP
NIRGSTLQNLLSGYGIYVSTRHVLDAMGVDRRIAQGAIRISLCKYNTEEE
VDYFLKKIEEILSFL

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: 1eg5 Chain B Residue 600

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1eg5 Crystal structure of a NifS-like protein from Thermotoga maritima: implications for iron sulphur cluster assembly.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): C69 A70 T71 H99 N150 D177 V179 Q180 S200 H202 K203
• Binding residue (residue number reindexed from 1): C69 A70 T71 H99 N150 D177 V179 Q180 S200 H202 K203
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H99 D177 V179 Q180 H202 K203
• Catalytic site (residue number reindexed from 1): H99 D177 V179 Q180 H202 K203
• Enzyme Commision number: 2.8.1.7: cysteine desulfurase.

Gene Ontology

Molecular Function

• GO:0008483 transaminase activity

Biological Process

• GO:0009399 nitrogen fixation

External links

• PDB: RCSB:1eg5, PDBe:1eg5, PDBj:1eg5
• PDBsum: 1eg5
• PubMed: 10715213
• UniProt: Q9X218