Structure of PDB 3un3 Chain A

Receptor sequence

>3un3A (length=391) Species: 1396 (Bacillus cereus)

NKYKRIFLVVMDSVGIGEAPDAEQFGDLGSDTIGHIAEHMNGLQMPNMVK
LGLGNIREMKGISKVEKPLGYYTKMQEKSTGKDQMTGHWEIMGLYIDTPF
QVFPEGFPKELLDELEEKTGRKIIGNKPASGTEILDELGQEQMETGSLIV
YTSADSVLQIAAHEEVVPLDELYKICKIARELTLDEKYMVGRVIARPFVG
EPGNFTRTPNRHDYALKPFGRTVMNELKDSDYDVIAIGKISDIYDGEGVT
ESLRTKSNMDGMDKLVDTLNMDFTGLSFLNLVDFDALFGHRRDPQGYGEA
LQEYDARLPEVFAKLKEDDLLLITADHGNDPIHPGTDHTREYVPLLAYSP
SMKEGGQELPLRQTFADIGATVAENFGVKMPEYGTSFLNEL

3D structure

• PDB: 3un3 Molecular Differences between a Mutase and a Phosphatase: Investigations of the Activation Step in Bacillus cereus Phosphopentomutase.
• Chain: A
• Resolution: 1.8 Å

Enzymatic activity

• Enzyme Commision number: 5.4.2.7: phosphopentomutase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	MN	A	D156 D286 H291 H339	D155 D285 H290 H338
BS02	MN	A	D13 Q85 D327 H328	D12 Q84 D326 H327
BS03	MN	A	G27 D28 H334	G26 D27 H333
BS04	G16	A	S131 G132 S154 R197 R208 R212 K240	S130 G131 S153 R196 R207 R211 K239	MOAD: Kd=0.23uM

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0008973 phosphopentomutase activity
• GO:0016853 isomerase activity
• GO:0030145 manganese ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006015 5-phosphoribose 1-diphosphate biosynthetic process
• GO:0006018 2-deoxyribose 1-phosphate catabolic process
• GO:0009117 nucleotide metabolic process
• GO:0043094 cellular metabolic compound salvage

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:3un3, PDBe:3un3, PDBj:3un3
• PDBsum: 3un3
• PubMed: 22329805
• UniProt: Q818Z9|DEOB_BACCR Phosphopentomutase (Gene Name=deoB)