Structure of PDB 6c3y Chain A Binding Site BS01

Receptor Information
>6c3y Chain A (length=464) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLRCRLPGGVITTKQWQAIDKFAGENTIYGSIRLTNRQTFQFHGILKKNV
KPVHQMLHSVGLDALATANDMNRNVLCTSNPYESQLHAEAYEWAKKISEH
LLPTYLPRKFKTTVVIPPQNDIDLHANDMNFVAIAENGKLVGFNLLVGGG
LSIEHGNKKTYARTASEFGYLPLEHTLAVAEAVVTTQRDWGNRTDRKNAK
TKYTLERVGVETFKAEVERRAGIKFEPIRPYEFTGRGDRIGWVKGIDDNW
HLTLFIENGRILDYPARPLKTGLLEIAKIHKGDFRITANQNLIIAGVPES
EKAKIEKIAKESGLMNAVTPQRENSMACVSFPTCPLAAAEAERFLPSFID
NIDNLMAKHGVSDEHIVMRVTGCPNGCGRAMLAEVGLVGKAPGRYNLHLG
GNRIGTRIPRMYKENITEPEILASLDELIGRWAKEREAGEGFGDFTVRAG
IIRPVLDPARDLWD
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 chain6c3y Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6c3y The role of extended Fe4S4cluster ligands in mediating sulfite reductase hemoprotein activity.
Resolution1.542 Å
Binding residue
(original residue number in PDB)		C434 S436 C440 A443 G478 C479 N481 C483
Binding residue
(residue number reindexed from 1)		C328 S330 C334 A337 G372 C373 N375 C377
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A394
Catalytic site (residue number reindexed from 1) A288
Enzyme Commision number 1.8.1.2: assimilatory sulfite reductase (NADPH).
Gene Ontology
Molecular Function
GO:0004783 sulfite reductase (NADPH) activity
GO:0016002 sulfite reductase activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0050311 sulfite reductase (ferredoxin) activity
GO:0050661 NADP binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0000103 sulfate assimilation
GO:0008652 amino acid biosynthetic process
GO:0019344 cysteine biosynthetic process
GO:0070814 hydrogen sulfide biosynthetic process
Cellular Component
GO:0009337 sulfite reductase complex (NADPH)

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6c3y, PDBe:6c3y, PDBj:6c3y
PDBsum6c3y
PubMed29852252
UniProtP17846|CYSI_ECOLI Sulfite reductase [NADPH] hemoprotein beta-component (Gene Name=cysI)

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