Structure of PDB 5xu6 Chain D Binding Site BS01

Receptor Information

>5xu6 Chain D (length=377) Species: 235443 (Cryptococcus neoformans var. grubii H99)

PNPSADTQPSDWAYIAEGGAHIVFSYQGQSKTYATRALRVRKPSNDVSGQ
WRRNILPKLVPRQLLTTSREVTLEEGWYKELLAMVDVVDRRGVLLEDLTS
NVDDDGAITVAIEIKPKWGFLPCAGHLQPPESVSIKSHVSRFRLHQHFRG
RADDPPYDPLDLFSGDKMRMRTALDGLWTMWEISRGKSNNWKVFIGSKEI
SPDDLQRGLLPMGGDDLVTNITQLTLSALQTSSALPLLKNLQQNLDPIDI
SSLAALFQAEHPNSPIFDPDLIAEVSAVELNSFVDIYISDPQAGQRMDSW
SLRERIIAYALSAIFKDCSLFVRGVLKHAEDGAWRLVSGGESVKVIDLDL
KPVKNIQKWAETDEKVWKHWLKTKGTR

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[O-]
  CACTVS 3.341: [O-][S]([O-])(=O)=O
  ACDLabs 10.04: [O-]S([O-])(=O)=O
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 5xu6 Chain D Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5xu6 Crystal structure of inositol 1,3,4,5,6-pentakisphosphate 2-kinase from Cryptococcus neoformans.
• Resolution: 2.35 Å
• Binding residue (original residue number in PDB): K389 N393 K396 W397
• Binding residue (residue number reindexed from 1): K351 N355 K358 W359
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.158: inositol-pentakisphosphate 2-kinase.

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0035299 inositol-1,3,4,5,6-pentakisphosphate 2-kinase activity

Biological Process

• GO:0016310 phosphorylation
• GO:0032958 inositol phosphate biosynthetic process

Cellular Component

• GO:0005634 nucleus

External links

• PDB: RCSB:5xu6, PDBe:5xu6, PDBj:5xu6
• PDBsum: 5xu6
• PubMed: 28919350
• UniProt: J9VKS8