Structure of PDB 1e2u Chain A Binding Site BS01

Receptor Information
>1e2u Chain A (length=553) Species: 881 (Nitratidesulfovibrio vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFCFQCQETAKNTGCTVKGMCGKPEETANLQDLLIFVLRGIAIYGEKLKE
LGQPDRSNDDFVLQGLFATITNANWDDARFEAMISEGLARRDKLRNAFLA
VYKAKNGKDFSEPLPEAATWTGDSTAFAEKAKSVGILATENEDVRSLREL
LIIGLKGVAAYAEHAAVLGFRKTEIDEFMLEALASTTKDLSVDEMVALVM
KAGGMAVTTMALLDEANTTTYGNPEITQVNIGVGKNPGILISGHDLKDMA
ELLKQTEGTGVDVYTHGEMLPANYYPAFKKYPHFVGNYGGSWWQQNPEFE
SFNGPILLTTNCLVPLKKENTYLDRLYTTGVVGYEGAKHIADRPAGGAKD
FSALIAQAKKCPPPVEIETGSIVGGFAHHQVLALADKVVEAVKSGAIKRF
VVMAGCDGRQKSRSYYTEVAENLPKDTVILTAGCAKYRYNKLNLGDIGGI
PRVLDAGQCNDSYSLAVIALKLKEVFGLDDINDLPVSYDIAWYEQKAVAV
LLALLFLGVKGIRLGPTLPAFLSPNVAKVLVENFNIKPIGTVQDDIAAMM
AGK
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 chain1e2u Chain A Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1e2u Hybrid-Cluster Protein (Hcp) from Desulfovibrio Vulgaris (Hildenborough) at 1.6 A Resolution.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		C3 F4 Q5 C6 T9 C15 G19 M20 C21 K23 T71
Binding residue
(residue number reindexed from 1)		C3 F4 Q5 C6 T9 C15 G19 M20 C21 K23 T71
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: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:1e2u, PDBe:1e2u, PDBj:1e2u
PDBsum1e2u
PubMed11106482
UniProtP31101|HCP_NITV2 Hydroxylamine reductase (Gene Name=hcp)

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