Structure of PDB 8kei Chain B Binding Site BS03

Receptor Information
>8kei Chain B (length=534) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNEGLSIFVILVWLGLNVFLFVWYYRVYDIPPKFFYTRKLLGSALALARA
PAACLNFNCMLILLPVCRNLLSFLRGSSACCSTRVRRQLDRNLTFHKMVA
WMIALHSAIHTIAHLFNVEWCVNARVNNSDPYSVALSELGDRQNESYLNF
ARKRIKNPEGGLYLAVTLLAGITGVVITLCLILIITSSTKTIRRSYFEVF
WYTHHLFVIFFIGLAIHGAERIVRGQTAESLAVHNITVCEQKISEWGKIK
ECPIPQFAGNPPMTWKWIVGPMFLYLCERLVRFWRSQQKVVITKVVTHPF
KTIELQMKKKGFKMEVGQYIFVKCPKVSKLEWHPFTLTSAPEEDFFSIHI
RIVGDWTEGLFNACGCDKLPKIAVDGPFGTASEDVFSYEVVMLVGAGIGV
TPFASILKSVWYKYCNNATNLKLKKIYFYWLCRDTHAFEWFADLLQLLES
QMQERNNAGFLSYNIYLTGWQKTLYGRPNWDNEFKTIASQHPNTRIGVFL
CGPEALAETLSKQSISNSESGPRGVHFIFNKENF
Ligand information
Ligand IDLBN
InChIInChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
InChIKeyWTJKGGKOPKCXLL-VYOBOKEXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
ACDLabs 12.01C(C(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)OP(OCC[N+](C)(C)C)([O-])=O
FormulaC42 H82 N O8 P
Name1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine;
(2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
ChEMBL
DrugBank
ZINC
PDB chain8kei Chain B Residue 604 [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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PDB8kei Cryo-EM structure of NADPH oxidase 2 in complex with p22phox and EROS
Resolution3.56 Å
Binding residue
(original residue number in PDB)		G47 S48 I117 W125
Binding residue
(residue number reindexed from 1)		G42 S43 I112 W120
Annotation score1
Enzymatic activity
Enzyme Commision number 1.-.-.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0009055 electron transfer activity
GO:0016175 superoxide-generating NAD(P)H oxidase activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0046982 protein heterodimerization activity
GO:0050660 flavin adenine dinucleotide binding
GO:0050664 oxidoreductase activity, acting on NAD(P)H, oxygen as acceptor
Biological Process
GO:0006801 superoxide metabolic process
GO:0006952 defense response
GO:0006954 inflammatory response
GO:0007584 response to nutrient
GO:0009410 response to xenobiotic stimulus
GO:0032760 positive regulation of tumor necrosis factor production
GO:0034220 monoatomic ion transmembrane transport
GO:0042554 superoxide anion generation
GO:0045087 innate immune response
GO:0045730 respiratory burst
GO:0045766 positive regulation of angiogenesis
GO:0050665 hydrogen peroxide biosynthetic process
GO:0071276 cellular response to cadmium ion
GO:0071361 cellular response to ethanol
GO:0071456 cellular response to hypoxia
GO:0097411 hypoxia-inducible factor-1alpha signaling pathway
GO:1904044 response to aldosterone
GO:1904845 cellular response to L-glutamine
GO:1990776 response to angiotensin
Cellular Component
GO:0005635 nuclear envelope
GO:0005737 cytoplasm
GO:0005789 endoplasmic reticulum membrane
GO:0005886 plasma membrane
GO:0030425 dendrite
GO:0030670 phagocytic vesicle membrane
GO:0034702 monoatomic ion channel complex
GO:0035579 specific granule membrane
GO:0043020 NADPH oxidase complex
GO:0043025 neuronal cell body
GO:0045335 phagocytic vesicle
GO:0070821 tertiary granule membrane
GO:0097038 perinuclear endoplasmic reticulum

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8kei, PDBe:8kei, PDBj:8kei
PDBsum8kei
PubMed
UniProtP04839|CY24B_HUMAN Cytochrome b-245 heavy chain (Gene Name=CYBB)

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