Structure of PDB 3rgw Chain L Binding Site BS02

Receptor Information
>3rgw Chain L (length=602) Species: 381666 (Cupriavidus necator H16) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAYATQGFNLDDRGRRIVVDPVTRIEGHMRCEVNVDANNVIRNAVSTGTM
WRGLEVILKGRDPRDAWAFVERICGVCTGCHALASVRAVENALDIRIPKN
AHLIREIMAKTLQVHDHAVHFYHLHALDWVDVMSALKADPKRTSELQQLV
SPAHPLSSAGYFRDIQNRLKRFVESGQLGPFMNGYWGSKAYVLPPEANLM
AVTHYLEALDLQKEWVKIHTIFGGKNPHPNYLVGGVPCAINLDGIGAASA
PVNMERLSFVKARIDEIIEFNKNVYVPDVLAIGTLYKQAGWLYGGGLAAT
NVLDYGEYPNVAYNKSTDQLPGGAILNGNWDEVFPVDPRDSQQVQEFVSH
SWYKYADESVGLHPWDGVTEPNYVLGANTKGTRTRIEQIDESAKYSWIKS
PRWRGHAMEVGPLSRYILAYAHARSGNKYAERPKEQLEYSAQMINSAIPK
ALGLPETQYTLKQLLPSTIGRTLARALESQYCGEMMHSDWHDLVANIRAG
DTATANVDKWDPATWPLQAKGVGTVAAPRGALGHWIRIKDGRIENYQCVV
PTTWNGSPRDYKGQIGAFEASLMNTPMVNPEQPVEILRTLHSFDPCLACS
TH
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3rgw Chain L Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rgw The crystal structure of an oxygen-tolerant hydrogenase uncovers a novel iron-sulphur centre.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		E56 C549 H603
Binding residue
(residue number reindexed from 1)		E55 C548 H602
Annotation score1
Enzymatic activity
Enzyme Commision number 1.12.99.6: hydrogenase (acceptor).
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008901 ferredoxin hydrogenase activity
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0033748 hydrogenase (acceptor) activity
GO:0046872 metal ion binding
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:3rgw, PDBe:3rgw, PDBj:3rgw
PDBsum3rgw
PubMed22002606
UniProtP31891|MBHL_CUPNH Uptake hydrogenase large subunit (Gene Name=hoxG)

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