Structure of PDB 5y34 Chain A Binding Site BS01

Receptor Information
>5y34 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 IDFCO
InChIInChI=1S/2CN.CO.Fe/c3*1-2;
InChIKeyVBQUCMTXYFMTTE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(#N)[Fe](=C=O)C#N
ACDLabs 10.04N#C\[Fe](C#N)=C=O
CACTVS 3.341O=C=[Fe](C#N)C#N
FormulaC3 Fe N2 O
NameCARBONMONOXIDE-(DICYANO) IRON
ChEMBL
DrugBank
ZINC
PDB chain5y34 Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5y34 Structural basis for a [4Fe-3S] cluster in the oxygen-tolerant membrane-bound [NiFe]-hydrogenase
Resolution1.32 Å
Binding residue
(original residue number in PDB)		C79 C82 H83 P522 R523 L526 P545 T546 C590 C593
Binding residue
(residue number reindexed from 1)		C78 C81 H82 P521 R522 L525 P544 T545 C589 C592
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

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:5y34, PDBe:5y34, PDBj:5y34
PDBsum5y34
PubMed22002607
UniProtF2Z6J6

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