Structure of PDB 6vjr Chain D Binding Site BS02

Receptor Information
>6vjr Chain D (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 IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6vjr Chain D Residue 601 [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)		C103 F104 C107 H295 Y299 C301 E449
Binding residue
(residue number reindexed from 1)		C97 F98 C101 H289 Y293 C295 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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