Structure of PDB 7nz5 Chain B Binding Site BS03

Receptor Information
>7nz5 Chain B (length=729) Species: 246194 (Carboxydothermus hydrogenoformans Z-2901) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VINFDQIFEGAIEPGKEPKRLFKEVYEGAITATSYAEILLSRAIEKYGPD
HPVGYPDTAYFLPVIRAFSGEEVRTLKDMVPILNRMRAQIKSELTFENAR
LAGEATWYAAEIIEALRYLKHTPENPIVVPPWTGFIGDPVVRQYGIKMVD
WTIPGEAIIIGRAKDSKAAKKIVDDLMGKGLMLFLCDEIIEQLLEENVKL
GVDYIAYPLGNFTQVVHAANYALRAGLMFGGIAPGLRDAHRDYQRRRVLA
FVLYLGEHDMVKTAAAMGAIFTGFPVITDQPLPEDKQIKDWFISEPDYDK
IVQTALEVRGIKITSIDIDLPINFGPAFEGESIRKGDMHVEFGGGKTPSF
ELVRMVGPDEIEDGKVEVIGPDIDSVEPGGRLPIGIVVDIYGRKMQEDFE
PVLERRIHYFTNYGEGFWHTAQRDLTWVRISKEAFAKGARLKHLGQLLYA
KFKQEFPSIVDRVQVTIYTDEQKVLELREIARKKYAERDARLRELSDEAV
DTYYSCLLCQSFAPTHVCIVSPERVGLCGAISWLDAKAAYEINPNGPNQP
IPKEGLIDPVKGQWESFNEYIYKNSQRTIERMNLYTIMEYPMTSCGCFEA
IMAYLPELNGFMIVNREHSGMTPIGMTFSTLAGMVGGGTQTPGFMGIGKS
YIGSRKFVKADGGLARVVWMPKDLKEQLRSIIEERAEEEGLGRDFIDKIA
DETVGTTVDEVLPFLEEKGHPALSMEPLL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7nz5 Chain B Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nz5 Ligand binding at the Ni,Ni-[4Fe-4S] cluster of acetyl-CoA synthase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		C512 C598 C600
Binding residue
(residue number reindexed from 1)		C509 C595 C597
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.169: CO-methylating acetyl-CoA synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016491 oxidoreductase activity
GO:0016740 transferase activity
GO:0043884 CO-methylating acetyl-CoA synthase activity
GO:0043885 anaerobic carbon-monoxide dehydrogenase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006084 acetyl-CoA metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7nz5, PDBe:7nz5, PDBj:7nz5
PDBsum7nz5
PubMed
UniProtQ3ACS4

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