Structure of PDB 7e0l Chain A Binding Site BS02

Receptor Information
>7e0l Chain A (length=491) Species: 79929 (Methanothermobacter marburgensis str. Marburg) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKYRCKVCDYIYDPEVGDPTSGIKPGTPFQELPEDWLCPVCNVGKDQFEP
LRGEVRRVRPEDIDMFCYQCSQTVRGRACTVKGVCGKEATVARLQDNLLF
AIKGISAYLYHARELGYTDEVVDAFLERGFYSTLTNVNFDAEEFVSLALE
AGEMNLRTMKLLKKAHMDTYGEPEPAEVRVGALDGPAIIATGHSLKALEE
LLKQTEGSGVNVYTHSELLPAHGYPGLRKYPHLAGQLGGPWFDQRETFSR
YSAAVLGTSNCVLLPRDSYRDRMFTCGVARLPGVEHVDGYDFSPVIEKAL
ELPPLKEEDSATLTTGFGLSTILSLADKIKELVEEGKIRRFFLVGGCDSP
LPQAKYYTEFVRKLPEDTVVLTLACGKYRFNSMDLGDIDGIPRLIDLGQC
NDSIVAVELVEALSNLFSMDVNELPLSIVLSWMEQKAAAILWSLLSLNLR
GMYIGPILPGWANDDIINVLVDKYELTPIGDPEEDIKKMME
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 chain7e0l Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7e0l Class III hybrid cluster protein homodimeric architecture shows evolutionary relationship with Ni, Fe-carbon monoxide dehydrogenases
Resolution2.82 Å
Binding residue
(original residue number in PDB)		C67 Y68 Q69 C70 T73 C79 G83 V84 C85
Binding residue
(residue number reindexed from 1)		C67 Y68 Q69 C70 T73 C79 G83 V84 C85
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:0005506 iron ion 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:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0042542 response to hydrogen peroxide
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:7e0l, PDBe:7e0l, PDBj:7e0l
PDBsum7e0l
PubMed
UniProtD9PYV4

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