Structure of PDB 7de4 Chain A Binding Site BS01

Receptor Information
>7de4 Chain A (length=550) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFCVQCEQTIRTPAGNGCSYAQGMCGKTAETSDLQDLLIAALQGLSAWAV
KAREYGIINHDVDSFAPRAFFSTLTNVNFDSPRIVGYAREAIALREALKA
QCLAVDANARVDNPMADLQLVSDDLGELQRQAAEFTPNKDKAAIGENILG
LRLLCLYGLKGAAAYMEHAHVLGQYDNDIYAQYHKIMAWLGTWPADMNAL
LECSMEIGQMNFKVMSILDAGETGKYGHPTPTQVNVKATAGKCILISGHD
LKDLYNLLEQTEGTGVNVYTHGEMLPAHGYPELRKFKHLVGNYGSGWQNQ
QVEFARFPGPIVMTSNCIIDPTVGAYDDRIWTRSIVGWPGVRHLDGDDFS
AVITQAQQMAGFPYSEIPHLITVGFGRQTLLGAADTLIDLVSREKLRHIF
LLGGCDGARGERHYFTDFATSVPDDCLILTLACGKYRFNKLEFGDIEGLP
RLVDAGQCNDAYSAIILAVTLAEKLGCGVNDLPLSLVLSWFEQKAIVILL
TLLSLGVKNIVTGPTAPGFLTPDLLAVLNEKFGLRSITTVEEDMKQLLSA
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 chain7de4 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7de4 Crystal structure of Escherichia coli class II hybrid cluster protein, HCP, reveals a [4Fe-4S] cluster at the N-terminal protrusion.
Resolution3.61 Å
Binding residue
(original residue number in PDB)		C3 V4 Q5 C6 T9 C18 G23 M24 C25 T75
Binding residue
(residue number reindexed from 1)		C3 V4 Q5 C6 T9 C18 G23 M24 C25 T75
Annotation score1
Enzymatic activity
Enzyme Commision number 1.7.99.1: hydroxylamine reductase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004601 peroxidase activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0016661 oxidoreductase activity, acting on other nitrogenous compounds as donors
GO:0046872 metal ion binding
GO:0050418 hydroxylamine reductase activity
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0042542 response to hydrogen peroxide
GO:0046210 nitric oxide catabolic process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7de4, PDBe:7de4, PDBj:7de4
PDBsum7de4
PubMed34101368
UniProtP75825|HCP_ECOLI Hydroxylamine reductase (Gene Name=hcp)

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