Structure of PDB 4a7s Chain F Binding Site BS03

Receptor Information
>4a7s Chain F (length=153) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEF
GDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIE
DSVISLSGDHCITGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIG
IAQ
Ligand information
Ligand ID5UD
InChIInChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
InChIKeyFHIDNBAQOFJWCA-UAKXSSHOSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O)N2C=C(F)C(=O)NC2=O
ACDLabs 10.04FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)CO
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)F
FormulaC9 H11 F N2 O6
Name5-FLUOROURIDINE
ChEMBLCHEMBL54918
DrugBankDB01629
ZINCZINC000001078624
PDB chain4a7s Chain F Residue 1160 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4a7s Ligand Binding and Aggregation of Pathogenic Sod1.
Resolution1.06 Å
Binding residue
(original residue number in PDB)		E21 W32 S98
Binding residue
(residue number reindexed from 1)		E21 W32 S98
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0005507 copper ion binding
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016209 antioxidant activity
GO:0016491 oxidoreductase activity
GO:0030346 protein phosphatase 2B binding
GO:0031267 small GTPase binding
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0051087 protein-folding chaperone binding
Biological Process
GO:0000302 response to reactive oxygen species
GO:0000303 response to superoxide
GO:0001541 ovarian follicle development
GO:0001819 positive regulation of cytokine production
GO:0001890 placenta development
GO:0001895 retina homeostasis
GO:0002262 myeloid cell homeostasis
GO:0006749 glutathione metabolic process
GO:0006801 superoxide metabolic process
GO:0006879 intracellular iron ion homeostasis
GO:0006915 apoptotic process
GO:0006979 response to oxidative stress
GO:0007283 spermatogenesis
GO:0007566 embryo implantation
GO:0007605 sensory perception of sound
GO:0007626 locomotory behavior
GO:0008089 anterograde axonal transport
GO:0008090 retrograde axonal transport
GO:0008217 regulation of blood pressure
GO:0008340 determination of adult lifespan
GO:0009408 response to heat
GO:0009410 response to xenobiotic stimulus
GO:0010467 gene expression
GO:0019226 transmission of nerve impulse
GO:0019228 neuronal action potential
GO:0019430 removal of superoxide radicals
GO:0032287 peripheral nervous system myelin maintenance
GO:0032930 positive regulation of superoxide anion generation
GO:0033081 regulation of T cell differentiation in thymus
GO:0035234 ectopic germ cell programmed cell death
GO:0040014 regulation of multicellular organism growth
GO:0042542 response to hydrogen peroxide
GO:0042554 superoxide anion generation
GO:0043065 positive regulation of apoptotic process
GO:0043066 negative regulation of apoptotic process
GO:0043087 regulation of GTPase activity
GO:0043410 positive regulation of MAPK cascade
GO:0043524 negative regulation of neuron apoptotic process
GO:0045471 response to ethanol
GO:0046620 regulation of organ growth
GO:0046716 muscle cell cellular homeostasis
GO:0048538 thymus development
GO:0048678 response to axon injury
GO:0050665 hydrogen peroxide biosynthetic process
GO:0050728 negative regulation of inflammatory response
GO:0050766 positive regulation of phagocytosis
GO:0051093 negative regulation of developmental process
GO:0051881 regulation of mitochondrial membrane potential
GO:0060047 heart contraction
GO:0060052 neurofilament cytoskeleton organization
GO:0060087 relaxation of vascular associated smooth muscle
GO:0060088 auditory receptor cell stereocilium organization
GO:0072593 reactive oxygen species metabolic process
GO:0099610 action potential initiation
GO:1902177 positive regulation of oxidative stress-induced intrinsic apoptotic signaling pathway
GO:2000242 negative regulation of reproductive process
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005758 mitochondrial intermembrane space
GO:0005759 mitochondrial matrix
GO:0005777 peroxisome
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0031410 cytoplasmic vesicle
GO:0032839 dendrite cytoplasm
GO:0032991 protein-containing complex
GO:0043025 neuronal cell body
GO:0070062 extracellular exosome
GO:1904115 axon cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4a7s, PDBe:4a7s, PDBj:4a7s
PDBsum4a7s
PubMed23612299
UniProtP00441|SODC_HUMAN Superoxide dismutase [Cu-Zn] (Gene Name=SOD1)

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