Structure of PDB 6yyy Chain A Binding Site BS02

Receptor Information

>6yyy Chain A (length=428) Species: 9606 (Homo sapiens)

PKLLNKFDKTIKAELDAAEKLRKRGKIEEAVNAFKELVRKYPQSPRARYG
KAQCEDDLAEKRRSNEVLRGAIETYQEVASLPDVPADLLKLSLKRRSDRQ
QFLGHMRGSLLTLQRLVQLFPNDTSLKNDLGVGYLLIGDNDNAKKVYEEV
LSVTPNDGFAKVHYGFILKAQNKIAESIPYLKEGIESGDPGTDDGRFYFH
LGDAMQRVGNKEAYKWYELGHKRGHFASVWQRSLYNVNGLKAQPWWTPKE
TGYTELVKSLERNWKLIRDEGLAVMDKAKGLFLPEDENLREKGDWSQFTL
WQQGRRNENACKGAPKTCTLLEKFPETTGCRRGQIKYSIMHPGTHVWPHT
GPTNCRLRMHLGLVIPKEGCKIRCANETKTWEEGKVLIFDDSFEHEVWQD
ASSFRLIFIVDVWHPELTPQQRRSLPAI

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 6yyy Chain A Residue 801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6yyy Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
• Resolution: 2.29 Å
• Binding residue (original residue number in PDB): H679 H725
• Binding residue (residue number reindexed from 1): H349 H395
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.14.11.16: peptide-aspartate beta-dioxygenase.

Gene Ontology

Molecular Function

• GO:0062101 peptidyl-aspartic acid 3-dioxygenase activity

Biological Process

• GO:0018193 peptidyl-amino acid modification
• GO:0042264 peptidyl-aspartic acid hydroxylation

External links

• PDB: RCSB:6yyy, PDBe:6yyy, PDBj:6yyy
• PDBsum: 6yyy
• PubMed: 34163896
• UniProt: Q12797|ASPH_HUMAN Aspartyl/asparaginyl beta-hydroxylase (Gene Name=ASPH)