Structure of PDB 3noy Chain A Binding Site BS01

Receptor Information
>3noy Chain A (length=349) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIQKRKTRQIRVGNVKIGGDAPIVVQSMTSTKTHDVEATLNQIKRLYEAG
CEIVRVAVPHKEDVEALEEIVKKSPMPVIADIHFAPSYAFLSMEKGVHGI
RINPGNIGKEEIVREIVEEAKRRGVAVRIGVNSGSLEKDLLEKYGYPSAE
ALAESALRWSEKFEKWGFTNYKVSIKGSDVLQNVRANLIFAERTDVPLHI
GITEAGMGTKGIIKSSVGIGILLYMGIGDTVRVSLTDDPVVEVETAYEIL
KSLGLRRRGVEIVACPTCGRIEVDLPKVVKEVQEKLSGVKTPLKVAVMGC
VVNAIGEAREADIGLACGRGFAWLFKHGKPIKKVDESEMVDELLKEIQN
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain3noy Chain A Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3noy Biosynthesis of isoprenoids: crystal structure of the [4Fe-4S] cluster protein IspG.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C265 P266 T267 C268 R270 I271 M298 G299 C300 A304 E307
Binding residue
(residue number reindexed from 1)		C265 P266 T267 C268 R270 I271 M298 G299 C300 A304 E307
Annotation score1
Enzymatic activity
Enzyme Commision number 1.17.7.3: (E)-4-hydroxy-3-methylbut-2-enyl-diphosphate synthase (flavodoxin).
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046429 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase activity (ferredoxin)
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0141197 4-hydroxy-3-methylbut-2-enyl-diphosphate synthase activity (flavodoxin)
Biological Process
GO:0008299 isoprenoid biosynthetic process
GO:0016114 terpenoid biosynthetic process
GO:0019288 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
GO:0044237 cellular metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3noy, PDBe:3noy, PDBj:3noy
PDBsum3noy
PubMed20932974
UniProtO67496|ISPG_AQUAE 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase (flavodoxin) (Gene Name=ispG)

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