Structure of PDB 4qkf Chain C Binding Site BS02

Receptor Information
>4qkf Chain C (length=190) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MWVRGSGPSVLSRLQDAAVVRPGFLSTAEEETLSRELEPELRRRRYEYDH
WDAAIHGFRETEKSRWSEASRAILRRVQAAAFGPQTLLSSVHVLDLEARG
YIKPHVDSIKFCGATIAGLSLLSPSVMRLVHTQEPGEWLELLLEPGSLYI
LRGSARYDFSHEILRDEESFFGERRIPRGRRISVICRSLP
Ligand information
Ligand IDOGA
InChIInChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
InChIKeyBIMZLRFONYSTPT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CNC(=O)C(O)=O
ACDLabs 10.04O=C(O)C(=O)NCC(=O)O
OpenEye OEToolkits 1.5.0C(C(=O)O)NC(=O)C(=O)O
FormulaC4 H5 N O5
NameN-OXALYLGLYCINE
ChEMBLCHEMBL90852
DrugBank
ZINCZINC000001534133
PDB chain4qkf Chain C Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qkf The atomic resolution structure of human AlkB homolog 7 (ALKBH7), a key protein for programmed necrosis and fat metabolism
Resolution1.99 Å
Binding residue
(original residue number in PDB)		I70 L110 I118 H121 R197 S199 I201 R203
Binding residue
(residue number reindexed from 1)		I55 L94 I102 H105 R181 S183 I185 R187
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0006631 fatty acid metabolic process
GO:0006974 DNA damage response
GO:0010883 regulation of lipid storage
GO:0012501 programmed cell death
GO:1902445 regulation of mitochondrial membrane permeability involved in programmed necrotic cell death
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4qkf, PDBe:4qkf, PDBj:4qkf
PDBsum4qkf
PubMed25122757
UniProtQ9BT30|ALKB7_HUMAN Alpha-ketoglutarate-dependent dioxygenase alkB homolog 7, mitochondrial (Gene Name=ALKBH7)

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