Structure of PDB 2vkq Chain A Binding Site BS01

Receptor Information
>2vkq Chain A (length=273) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPTRVEEIICGLIKGGAAKLQIITDFDMTLSRFSYKGKRCPTCHNIIDNC
KLVTDECRKKLLQLKEKYYAIEVDPVLTVEEKYPYMVEWYTKSHGLLVQQ
ALPKAKLKEIVAESDVMLKEGYENFFDKLQQHSIPVFIFSAGIGDVLEEV
IRQAGVYHPNVKVVSNFMDFDETGVLKGFKGELIHVFNKHDGALRNTEYF
NQLKDNSNIILLGDSQGDLRMADGVANVEHILKIGYLNDRVDELLEKYMD
SYDIVLVQDESLEVANSILQKIL
Ligand information
Ligand IDBEF
InChIInChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3
InChIKeyOGIAHMCCNXDTIE-UHFFFAOYSA-K
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[Be-](F)(F)F
ACDLabs 10.04
CACTVS 3.341		F[Be-](F)F
FormulaBe F3
NameBERYLLIUM TRIFLUORIDE ION
ChEMBL
DrugBank
ZINC
PDB chain2vkq Chain A Residue 1287 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vkq Crystal Structure of Human Cytosolic 5'- Nucleotidase II: Insights Into Allosteric Regulation and Substrate Recognition
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D38 F39 D40 S153 A154 K202
Binding residue
(residue number reindexed from 1)		D25 F26 D27 S140 A141 K189
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.5: 5'-nucleotidase.
3.1.3.91: 7-methylguanosine nucleotidase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008253 5'-nucleotidase activity
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:2vkq, PDBe:2vkq, PDBj:2vkq
PDBsum2vkq
PubMed
UniProtQ9H0P0|5NT3A_HUMAN Cytosolic 5'-nucleotidase 3A (Gene Name=NT5C3A)

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