Structure of PDB 7yba Chain A Binding Site BS02

Receptor Information
>7yba Chain A (length=428) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKLLNKFDKTIKAELDAAEKLRKRGKIEEAVNAFKELVRKYPQSPRARYG
KAQCEDDLAEKRRSNEVLRGAIETYQEVASLPDVPADLLKLSLKRRSDRQ
QFLGHMRGSLLTLQRLVQLFPNDTSLKNDLGVGYLLIGDNDNAKKVYEEV
LSVTPNDGFAKVHYGFILKAQNKIAESIPYLKEGIESGDPGTDDGRFYFH
LGDAMQRVGNKEAYKWYELGHKRGHFASVWQRSLYNVNGLKAQPWWTPKE
TGYTELVKSLERNWKLIRDEGLAVMDKAKGLFLPEDENLREKGDWSQFTL
WQQGRRNENACKGAPKTCTLLEKFPETTGCRRGQIKYSIMHPGTHVWPHT
GPTNCRLRMHLGLVIPKEGCKIRCANETKTWEEGKVLIFDDSFEHEVWQD
ASSFRLIFIVDVWHPELTPQQRRSLPAI
Ligand information
Ligand IDIO9
InChIInChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)/t2-/m1/s1
InChIKeyWXSKVKPSMAHCSG-UWTATZPHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[C@H](CC(=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C(C(C(=O)O)O)C(=O)C(=O)O
CACTVS 3.385O[CH](CC(=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C([C@H](C(=O)O)O)C(=O)C(=O)O
FormulaC5 H6 O6
Name(2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid
ChEMBL
DrugBank
ZINCZINC000001532865
PDB chain7yba Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7yba Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate
Resolution1.86 Å
Binding residue
(original residue number in PDB)		W625 S668 H679 R688 H690 H725 R735 I739
Binding residue
(residue number reindexed from 1)		W295 S338 H349 R358 H360 H395 R405 I409
Annotation score1
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7yba, PDBe:7yba, PDBj:7yba
PDBsum7yba
PubMed
UniProtQ12797|ASPH_HUMAN Aspartyl/asparaginyl beta-hydroxylase (Gene Name=ASPH)

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