Structure of PDB 7yb8 Chain A Binding Site BS03

Receptor Information
>7yb8 Chain A (length=429) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPKLLNKFDKTIKAELDAAEKLRKRGKIEEAVNAFKELVRKYPQSPRARY
GKAQCEDDLAEKRRSNEVLRGAIETYQEVASLPDVPADLLKLSLKRRSDR
QQFLGHMRGSLLTLQRLVQLFPNDTSLKNDLGVGYLLIGDNDNAKKVYEE
VLSVTPNDGFAKVHYGFILKAQNKIAESIPYLKEGIESGDPGTDDGRFYF
HLGDAMQRVGNKEAYKWYELGHKRGHFASVWQRSLYNVNGLKAQPWWTPK
ETGYTELVKSLERNWKLIRDEGLAVMDKAKGLFLPEDENLREKGDWSQFT
LWQQGRRNENACKGAPKTCTLLEKFPETTGCRRGQIKYSIMHPGTHVWPH
TGPTNCRLRMHLGLVIPKEGCKIRCANETKTWEEGKVLIFDDSFEHEVWQ
DASSFRLIFIVDVWHPELTPQQRRSLPAI
Ligand information
Ligand ID2HG
InChIInChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKeyHWXBTNAVRSUOJR-GSVOUGTGSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O[CH](CCC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CCC(O)C(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@H](C(=O)O)O
CACTVS 3.370O[C@H](CCC(O)=O)C(O)=O
FormulaC5 H8 O5
Name(2R)-2-hydroxypentanedioic acid
ChEMBLCHEMBL1614745
DrugBank
ZINCZINC000000402968
PDB chain7yb8 Chain A Residue 1004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7yb8 Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
Resolution1.98 Å
Binding residue
(original residue number in PDB)		W625 S668 M670 H679 R688 H690 F719 H725 R735
Binding residue
(residue number reindexed from 1)		W296 S339 M341 H350 R359 H361 F390 H396 R406
Annotation score2
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:7yb8, PDBe:7yb8, PDBj:7yb8
PDBsum7yb8
PubMed
UniProtQ12797|ASPH_HUMAN Aspartyl/asparaginyl beta-hydroxylase (Gene Name=ASPH)

[Back to BioLiP]