Structure of PDB 1e1d Chain A Binding Site BS01

Receptor Information
>1e1d 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
KGRRMAVTTMALLDEANTTTYGNPEITQVNIGVGKNPGILISGHDLKDMA
ELLKQTEGTGVDVYTHGEMLPANYYPAFKKYPHFVGNYGGSWWQQNPEFE
SFNGPILLTTNCLVPLKKENTYLDRLYTTGVVGYEGAKHIADRPAGGAKD
FSALIAQAKKCPPPVEIETGSIVGGFAHHQVLALADKVVEAVKSGAIKRF
VVMAGCDGRQKSRSYYTEVAENLPKDTVILTAGCAKYRYNKLNLGDIGGI
PRVLDAGQCNDSYSLAVIALKLKEVFGLDDINDLPVSYDIAWYEQKAVAV
LLALLFLGVKGIRLGPTLPAFLSPNVAKVLVENFNIKPIGTVQDDIAAMM
AGK
Ligand information
Ligand IDFSO
InChIInChI=1S/4Fe.3O.3S/q;;;;;;;;-1;+1
InChIKeyJQPFOUXUGPAEOB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7O1[Fe]O[Fe]2(O[Fe]3[S+]2[Fe]1S3)[S-]
CACTVS 3.385[S-][Fe@@]12O[Fe]O[Fe]3S[Fe](O1)[S@@+]23
OpenEye OEToolkits 2.0.7O1[Fe]O[Fe]2(O[Fe]3[S@@+]2[Fe]1S3)[S-]
CACTVS 3.385[S-][Fe]12O[Fe]O[Fe]3S[Fe](O1)[S+]23
FormulaFe4 O3 S3
NameIRON/SULFUR/OXYGEN HYBRID CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain1e1d Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1e1d Hybrid-Cluster Protein (Hcp) from Desulfovibrio Vulgaris (Hildenborough) at 1.6 A Resolution.
Resolution1.72 Å
Binding residue
(original residue number in PDB)		H244 E268 W292 N311 C312 C406 C434 C459 E494 K496 A497
Binding residue
(residue number reindexed from 1)		H244 E268 W292 N311 C312 C406 C434 C459 E494 K496 A497
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1e1d, PDBe:1e1d, PDBj:1e1d
PDBsum1e1d
PubMed11106482
UniProtP31101|HCP_NITV2 Hydroxylamine reductase (Gene Name=hcp)

[Back to BioLiP]