Structure of PDB 7ail Chain A Binding Site BS01

Receptor Information
>7ail Chain A (length=320) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELVRKLIFNPQGDREASKRKIIKGNPTNIFELNEIKYSWAFDLYKLMGFT
NFWIPEEIQMLEDRKQYETVLSDYEKRAYELVLSFLIALDSFQVDMLKEF
GRMITAPEVEMAITAQEFQESVHAYSYQFILESVVDPVKADEIYNYWRED
ERLLERNKVIAELYNEFIRKPNEENFIKATIGNYILESLYFYSGFAFFYT
LGRQGKMRNTVQQIKYINRDELCHVTLFRNIINTLRKENPELFTPEIEKW
IVEYFKYAVNEEIKWGQYVTQNQILGINDVLIERYIKYLGNLRITQIGFD
PIYPEVTENPLKWIDEFRKI
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain7ail Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ail Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Resolution1.73 Å
Binding residue
(original residue number in PDB)		E127 E194 E228 H577
Binding residue
(residue number reindexed from 1)		E120 E187 E221 H224
Annotation score1
Enzymatic activity
Enzyme Commision number 1.17.4.1: ribonucleoside-diphosphate reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
Biological Process
GO:0009263 deoxyribonucleotide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7ail, PDBe:7ail, PDBj:7ail
PDBsum7ail
PubMed34941255
UniProtO67475|RIR2_AQUAE Ribonucleoside-diphosphate reductase subunit beta (Gene Name=nrdB)

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