Structure of PDB 4iud Chain L Binding Site BS02

Receptor Information
>4iud Chain L (length=595) 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
VTHYLEALDLQKEWVKIHTIFGGKNPHPNYLVGGVPCAINLSAPVNMERL
SFVKARIDEIIEFNKNVYVPDVLAIGTLYKQAGWLYGGGLAATNVLDYGE
YPNVAYNKSTDQLPGGAILNGNWDEVFPVDPRDSQQVQEFVSHSWYKYAD
ESVGLHPWDGVTEPNYVLGANTKGTRTRIEQIDESAKYSWIKSPRWRGHA
MEVGPLSRYILAYAHARSGNKYAERPKEQLEYSAQMINSAIPKALGLPET
QYTLKQLLPSTIGRTLARALESQYCGEMMHSDWHDLVANIRAGDTATANV
DKWDPATWPLQAKGVGTVAAPRGALGHWIRIKDGRIENYQCVVPTTWNGS
PRDYKGQIGAFEASLMNTPMVNPEQPVEILRTLHSFDPCLACSTH
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 chain4iud Chain L Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4iud Reversible [4Fe-3S] cluster morphing in an O2-tolerant [NiFe] hydrogenase.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		E56 C549 H603
Binding residue
(residue number reindexed from 1)		E54 C541 H595
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:4iud, PDBe:4iud, PDBj:4iud
PDBsum4iud
PubMed24705592
UniProtP31891|MBHL_CUPNH Uptake hydrogenase large subunit (Gene Name=hoxG)

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