Structure of PDB 4rwm Chain A Binding Site BS01

Receptor Information
>4rwm Chain A (length=497) Species: 174633 (Candidatus Kuenenia stuttgartiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPTFQDVASQVFGQPVGPDNDGTLYIFGLTAKYTEPEYVDGRGPYKSFLK
MLPSIRWYDPEHYWTNGSQTEGVFKNEECVLCHTVQTPTIVNDWKQSSHG
SKDIRRGIGIKKDGKPVEDLVGCADCHGNNHQKLEMPTYKLCNDCHPKET
AEHRAGGLGSHTHAYTVNVLEFSWHVGKPAEEVTGCAHCHAIAENRCSGC
HTRHKFDPAEARKPTACRVCHMGIDHDEWAMYNTSIHGALYEAESARMDW
GKKLKKGNYRVPTCAYCHMQNGDHNPQRFGTIYSDMGMFQVDRGAPKHKA
KRDSWIKLCQDCHSPRFAADKLKEMDAGVNLSFTKWREAAAVIVGCYLDG
VVDPMPEGSAPDWYGHYTFSLLPGGDPRFYATSNLERLGLEMICYLTGNV
YKAYAHMSMYNQTYGNGSAFEQDRKLVEIKTEAAKLRRFAAIEKKIGLEH
KSADFWKHGEYLDLLPGWKRKPGDVDVEWFKRTDIPHRANADAGVEI
Ligand information
Ligand IDEDO
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKeyLYCAIKOWRPUZTN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		OCCO
OpenEye OEToolkits 1.5.0C(CO)O
FormulaC2 H6 O2
Name1,2-ETHANEDIOL;
ETHYLENE GLYCOL
ChEMBLCHEMBL457299
DrugBank
ZINCZINC000005224354
PDB chain4rwm Chain A Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rwm An unexpected reactivity of the P460 cofactor in hydroxylamine oxidoreductase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		W211 D262 M323
Binding residue
(residue number reindexed from 1)		W174 D225 M286
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H227 D262 H263 Y451
Catalytic site (residue number reindexed from 1) H190 D225 H226 Y414
Enzyme Commision number 1.7.2.9: hydroxylamine oxidase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0033740 hydroxylamine oxidoreductase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006809 nitric oxide biosynthetic process
GO:0019331 anaerobic respiration, using ammonium as electron donor
GO:0070207 protein homotrimerization
Cellular Component
GO:0044222 anammoxosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4rwm, PDBe:4rwm, PDBj:4rwm
PDBsum4rwm
PubMed26249351
UniProtQ1PX48|HAO_KUEST Hydroxylamine oxidoreductase (Gene Name=hao)

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