Structure of PDB 3ayx Chain A Binding Site BS07

Receptor Information
>3ayx Chain A (length=595) Species: 28885 (Hydrogenovibrio marinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVLNTPNHYKMDNSGRRVVIDPVTRIEGHMRCEVNVDENNVIQNAVSTGT
MWRGLEVILRGRDPRDAWAFVERICGVCTGCHALASVRAVEDALDIKIPH
NATLIREIMAKTLQIHDHIVHFYHLHALDWVNPVNALKADPQATSELQKL
VSPHHPMSSPGYFKDIQIRIQKFVDSGQLGIFKNGYWSNPAYKLSPEADL
MAVTHYLEALDFQKEIVKIHAIFGGKNPHPNYMVGGVPCAINIDGDMAAG
APINMERLNFVKSLIEQGRTFNTNVYVPDVIAIAAFYRDWLYGGGLSATN
VMDYGAYPKTPYDKSTDQLPGGAIINGDWGKIHPVDPRDPEQVQEFVTHS
WYKYPDETKGLHPWDGITEPNYELGSKTKGSRTNIIEIDESAKYSWIKSP
RWRGHAVEVGPLARYILAYAQGVEYVKTQVHTSLNRFNAVCRLLDPNHKD
ITDLKAFLGSTIGRTLARALESEYCGDMMLDDFNQLISNIKNGDSSTANT
DKWDPSSWPEHAKGVGTVAAPRGALAHWIVIEKGKIKNYQCVVPTTWNGS
PRDPKGNIGAFEASLMGTPMERPDEPVEVLRTLHSFDPCLACSTH
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 chain3ayx Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ayx Structural basis for a [4Fe-3S] cluster in the oxygen-tolerant membrane-bound [NiFe]-hydrogenase
Resolution1.18 Å
Binding residue
(original residue number in PDB)		E57 C542 H596
Binding residue
(residue number reindexed from 1)		E56 C541 H595
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E28 C76 C79 H83 R523 T546 C590 C593
Catalytic site (residue number reindexed from 1) E27 C75 C78 H82 R522 T545 C589 C592
Enzyme Commision number 1.12.5.1: hydrogen:quinone oxidoreductase.
Gene Ontology
Molecular Function
GO:0008901 ferredoxin hydrogenase activity
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase 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:3ayx, PDBe:3ayx, PDBj:3ayx
PDBsum3ayx
PubMed22002607
UniProtF2Z6J6

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