Structure of PDB 3use Chain M Binding Site BS02

Receptor Information
>3use Chain M (length=581) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STQYETQGYTINNAGRRLVVDPITRIEGHMRCEVNINDQNVITNAVSCGT
MFRGLEIILQGRDPRDAWAFVERICGVCTGVHALASVYAIEDAIGIKVPD
NANIIRNIMLATLWCHDHLVHFYQLAGMDWIDVLDALKADPRKTSELAQS
LSSWPKSSPGYFFDVQNRLKKFVEGGQLGIFRNGYWGHPQYKLPPEANLM
GFAHYLEALDFQREIVKIHAVFGGKNPHPNWIVGGMPCAINIDESGAVGA
VNMERLNLVQSIITRTADFINNVMIPDALAIGQFNKPWSEIGTGLSDKCV
LSYGAFPDIANDFGEKSLLMPGGAVINGDFNNVLPVDLVDPQQVQEFVDH
AWYRYPNDQVGRHPFDGITDPWYNPGDVKGSDTNIQQLNEQERYSWIKAP
RWRGNAMEVGPLARTLIAYHKGDAATVESVDRMMSALNLPLSGIQSTLGR
ILCRAHEAQWAAGKLQYFFDKLMTNLKNGNLATASTEKWEPATWPTECRG
VGFTEAPRGALGHWAAIRDGKIDLYQCVVPTTWNASPRDPKGQIGAYEAA
LMNTKMAIPEQPLEILRTLHSFDPCLACSTH
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 chain3use Chain M Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3use X-ray crystallographic and computational studies of the O2-tolerant [NiFe]-hydrogenase 1 from Escherichia coli.
Resolution1.67 Å
Binding residue
(original residue number in PDB)		E57 C528 H582
Binding residue
(residue number reindexed from 1)		E56 C527 H581
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:0009055 electron transfer activity
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0033748 hydrogenase (acceptor) activity
GO:0046872 metal ion binding
Biological Process
GO:0006113 fermentation
GO:0009061 anaerobic respiration
GO:0009267 cellular response to starvation
GO:0019645 anaerobic electron transport chain
GO:1902421 hydrogen metabolic process
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0044569 [Ni-Fe] hydrogenase complex
GO:0098567 periplasmic side of plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3use, PDBe:3use, PDBj:3use
PDBsum3use
PubMed22431599
UniProtP0ACD8|MBHL_ECOLI Hydrogenase-1 large chain (Gene Name=hyaB)

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