Structure of PDB 4ttt Chain L Binding Site BS02

Receptor Information
>4ttt Chain L (length=598) Species: 381666 (Cupriavidus necator H16) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYATQGFNLDDRGRRIVVDPVTRIEGHMRCEVNVDANNVIRNAVSTGTMW
RGLEVILKGRDPRDAWAFVERICGVCTGCHALASVRAVENALDIRIPKNA
HLIREIMAKTLQVHDHAVHFYHLHALDWVDVMSALKADPKRTSELQQLVS
PAHPLSSAGYFRDIQNRLKRFVESGQLGPFMNGYWGSKAYVLPPEANLMA
VTHYLEALDLQKEWVKIHTIFGGKNPHPNYLVGGVPCAINLDAASAPVNM
ERLSFVKARIDEIIEFNKNVYVPDVLAIGTLYKQAGWLYGGGLAATNVLD
YGEYPNVAYNKSTDQLPGGAILNGNWDEVFPVDPRDSQQVQEFVSHSWYK
YADESVGLHPWDGVTEPNYVLGANTKGTRTRIEQIDESAKYSWIKSPRWR
GHAMEVGPLSRYILAYAHARSGNKYAERPKEQLEYSAQMINSAIPKALGL
PETQYTLKQLLPSTIGRTLARALESQYCGEMMHSDWHDLVANIRAGDTAT
ANVDKWDPATWPLQAKGVGTVAAPRGALGHWIRIKDGRIENYQCVVPTTW
NGSPRDYKGQIGAFEASLMNTPMVNPEQPVEILRTLHSFDPCLACSTH
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 chain4ttt Chain L Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ttt Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase
Resolution1.72 Å
Binding residue
(original residue number in PDB)		E56 C549 H603
Binding residue
(residue number reindexed from 1)		E54 C544 H598
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
View graph for
Cellular Component
External links
PDB RCSB:4ttt, PDBe:4ttt, PDBj:4ttt
PDBsum4ttt
PubMed
UniProtP31891|MBHL_CUPNH Uptake hydrogenase large subunit (Gene Name=hoxG)

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