Structure of PDB 6vjr Chain C Binding Site BS04

Receptor Information
>6vjr Chain C (length=500) Species: 436308 (Nitrosopumilus maritimus SCM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIRSGDDYIESLRGRDLKVYLFGELVKEPVDHPMIRPSINAVAETYDLAL
REEALASADSSITGLKVNRFLHIAESAEDLVLQNKMQRKLGQNTGTCFQR
CVGMDAMNSLHSTTFEIDEKHGTDYHKRFLEFVKMVQQENLVIGGAMTDP
KGDRSKGPSEQDDPDLFTRIVDTDEKGVYVSGAKAHQTGCINSHWIILMP
TIRLTESDKDWAIVGAIPADAKGVTYIYGRQSCDTRSMEEGDIDDGNAKF
GGQEALIILDRVFIPWDKVFMHGEYEFASMLVERFTCYHRRSYVCKTGLG
DVLIGAAATIADYNGVPKVSHIKDKIIEMTHLNETIFAAGIASSHQGQKM
KSGVYLNDDMLAQVCKHNVTRFPYEISRLAQDIAGGLVVTLPSEKDFRHP
EAGPLLKKYLAGRKGVDVENRMRILRLIENMTLGRNAVGYLTESMHGAGS
PQAQRIQIQRQMQVGYKKNLAKNLAGITNDVEEPKESSEYFKRVFKTKDS
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain6vjr Chain C Residue 603 [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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PDB6vjr Structural adaptation of oxygen tolerance in a key archaeal carbon fixation enzyme
Resolution1.55 Å
Binding residue
(original residue number in PDB)		H295 Y299 E449
Binding residue
(residue number reindexed from 1)		H289 Y293 E443
Annotation score1
Enzymatic activity
Enzyme Commision number 5.3.3.3: vinylacetyl-CoA Delta-isomerase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
GO:0016853 isomerase activity
GO:0046872 metal ion binding
GO:0050393 vinylacetyl-CoA delta-isomerase activity
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:6vjr, PDBe:6vjr, PDBj:6vjr
PDBsum6vjr
PubMed
UniProtA9A1Y2

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