Structure of PDB 6yyx Chain A Binding Site BS02

Receptor Information

>6yyx Chain A (length=429) Species: 9606 (Homo sapiens)

KPKLLNKFDKTIKAELDAAEKLRKRGKIEEAVNAFKELVRKYPQSPRARY
GKAQCEDDLAEKRRSNEVLRGAIETYQEVASLPDVPADLLKLSLKRRSDR
QQFLGHMRGSLLTLQRLVQLFPNDTSLKNDLGVGYLLIGDNDNAKKVYEE
VLSVTPNDGFAKVHYGFILKAQNKIAESIPYLKEGIESGDPGTDDGRFYF
HLGDAMQRVGNKEAYKWYELGHKRGHFASVWQRSLYNVNGLKAQPWWTPK
ETGYTELVKSLERNWKLIRDEGLAVMDKAKGLFLPEDENLREKGDWSQFT
LWQQGRRNENACKGAPKTCTLLEKFPETTGCRRGQIKYSIMHPGTHVWPH
TGPTNCRLRMHLGLVIPKEGCKIRCANETKTWEEGKVLIFDDSFEHEVWQ
DASSFRLIFIVDVWHPELTPQQRRSLPAI

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: 6yyx Chain A Residue 801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6yyx Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase
• Resolution: 1.53 Å
• Binding residue (original residue number in PDB): H679 H725
• Binding residue (residue number reindexed from 1): H350 H396
• 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:6yyx, PDBe:6yyx, PDBj:6yyx
• PDBsum: 6yyx
• UniProt: Q12797|ASPH_HUMAN Aspartyl/asparaginyl beta-hydroxylase (Gene Name=ASPH)