Structure of PDB 4s23 Chain A Binding Site BS01

Receptor Information
>4s23 Chain A (length=405) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGMRRPTPTVYVGRVPIGGAHPIAVQSMTNTPTRDVEATTAQVLELHRAG
SEIVRLTVNDEEAAKAVPEIKRRLLAEGVEVPLVGDFHFNGHLLLRKYPK
MAEALDKFRINPGTLGRGRHKDEHFAEMIRIAMDLGKPVRIGANWGSLDP
ALLTELMDRNASRPEPKSAHEVVLEALVESAVRAYEAALEMGLGEDKLVL
SAKVSKARDLVWVYRELARRTQAPLHLGLTEAGMGVKGIVASAAALAPLL
LEGIGDTIRVSLTPSPKEPRTKEVEVAQEILQALGLRAFAPEVTSCPGCG
RTTSTFFQELAEEVSRRLKERLPEWRARYPGVEELKVAVMGCVVNGPGES
KHAHIGISLPGAGEEPKAPVYADGKLLTILKGEGIAEEFLRLVEDYVKTR
FAPKA
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 chain4s23 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4s23 Structure of the GcpE-HMBPP complex from Thermus thermophilius.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		C297 G299 C300 T303 G342 C343
Binding residue
(residue number reindexed from 1)		C296 G298 C299 T302 G341 C342
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4s23, PDBe:4s23, PDBj:4s23
PDBsum4s23
PubMed25660452
UniProtQ5SLI8|ISPG_THET8 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase (flavodoxin) (Gene Name=ispG)

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