Structure of PDB 6uyk Chain B Binding Site BS01

Receptor Information
>6uyk Chain B (length=268) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITGAKVFAVYGKGGIGKSTTSSNLSAAFSILGKRVLQIGCDPKHDSTFTL
TGSLVPTVIDVLKDVDFHPEELRPEDFVFEGFNGVMCVEAGGPPAGTGCG
GYVVGQTVKLLKQHHLLDDTDVVIFDVLGDVVCGGFAAPLQHADQAVVVT
ANDFDSIYAMNRIIAAVQAKSKNYKVRLAGCVANRSRATDEVDRFCKETN
FRRLAHMPDLDAIRRSRLKKKTLFEMDEDQDVLAARAEYIRLAESLWRGL
DPIDPHSLPDREIFELLG
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 chain6uyk Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6uyk The flexible N-terminus of BchL autoinhibits activity through interaction with its [4Fe-4S] cluster and released upon ATP binding.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		C126 G127 C160 G162 F163
Binding residue
(residue number reindexed from 1)		C99 G100 C133 G135 F136
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K39 K44 K70 D157
Catalytic site (residue number reindexed from 1) K12 K17 K43 D130
Enzyme Commision number 1.3.7.7: ferredoxin:protochlorophyllide reductase (ATP-dependent).
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016491 oxidoreductase activity
GO:0016636 oxidoreductase activity, acting on the CH-CH group of donors, iron-sulfur protein as acceptor
GO:0016730 oxidoreductase activity, acting on iron-sulfur proteins as donors
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015979 photosynthesis
GO:0015995 chlorophyll biosynthetic process
GO:0019685 photosynthesis, dark reaction
GO:0030494 bacteriochlorophyll biosynthetic process
GO:0036070 light-independent bacteriochlorophyll biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6uyk, PDBe:6uyk, PDBj:6uyk
PDBsum6uyk
PubMed33219127
UniProtQ9RFD6|BCHL_CERS4 Light-independent protochlorophyllide reductase iron-sulfur ATP-binding protein (Gene Name=bchL)

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