Structure of PDB 7wsx Chain B Binding Site BS01

Receptor Information
>7wsx Chain B (length=404) Species: 145263 (Methanothermobacter marburgensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATVARLQDNLLFAIKGISAYLYHARELGYTDEVVDAFLERGFYSTLTNVN
FDAEEFVSLALEAGEMNLRTMKLLKKAHMDTYGEPEPAEVRVGALDGPAI
IATGHSLKALEELLKQTEGSGVNVYTHSELLPAHGYPGLRKYPHLAGQLG
GPWFDQRETFSRYSAAVLGTSNCVLLPRDSYRDRMFTCGVARLPGVEHVD
GYDFSPVIEKALELPPLKEEDSATLTTGFGLSTILSLADKIKELVEEGKI
RRFFLVGGCDSPLPQAKYYTEFVRKLPEDTVVLTLACGKYRFNSMDLGDI
DGIPRLIDLGQCNDSIVAVELVEALSNLFSMDVNELPLSIVLSWMEQKAA
AILWSLLSLNLRGMYIGPILPGWANDDIINVLVDKYELTPIGDPEEDIKK
MMEV
Ligand information
Ligand IDFS2
InChIInChI=1S/4Fe.3O.2S
InChIKeyDEAINXNPDRNZAH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7O1[Fe]O2[Fe]134O[Fe]356[S]4[Fe]52S6
CACTVS 3.385O1[Fe]O[Fe]1O[Fe]2S[Fe]S2
FormulaFe4 O3 S2
NameFE-S-O HYBRID CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7wsx Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wsx Class III hybrid cluster protein homodimeric architecture shows evolutionary relationship with Ni, Fe-carbon monoxide dehydrogenases.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		H193 E217 W241 C261 C347 C375 C400
Binding residue
(residue number reindexed from 1)		H105 E129 W153 C173 C259 C287 C312
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:7wsx, PDBe:7wsx, PDBj:7wsx
PDBsum7wsx
PubMed37709776
UniProtD9PYV4

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