Structure of PDB 3hl2 Chain D Binding Site BS01

Receptor Information
>3hl2 Chain D (length=441) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EARRSHEHLIRLLLEKGKCPENGWDESTLELFLHELAIMDSNNFLGNCGV
GEREGRVASALVARRHYRFIHGIGRSGDISAVQPKAAGSSLLNKITNSLV
LDIIKLAGVHTVANCFVVPMATGMSLTLCFLTLRHKRPKAKYIIWPRIDQ
KSCFKSMITAGFEPVVIENVLEGDELRTDLKAVEAKVQELGPDCILCIHS
TTSCFAPRVPDRLEELAVICANYDIPHIVNNAYGVQSSKCMHLIQQGARV
GRIDAFVQSLDKNFMVPVGGAIIAGFNDSFIQEISKMYPGRASASPSLDV
LITLLSLGSNGYKKLLKERKEMFSYLSNQIKKLSEAYNERLLHTPHNPIS
LAMTLKTLDEHRDKAVTQLGSMLFTRQVSGARVVPLGSMQTVSGYTFRGF
MSHTNNYPCAYLNAASAIGMKMQDVDLFIKRLDRCLKAVRK
Ligand information
Ligand IDPLR
InChIInChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)
InChIKeyRBCOYOYDYNXAFA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C)c1O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C)C
OpenEye OEToolkits 1.5.0Cc1c(cnc(c1O)C)COP(=O)(O)O
FormulaC8 H12 N O5 P
Name(5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
4'-DEOXYPYRIDOXINE PHOSPHATE
ChEMBLCHEMBL1235333
DrugBank
ZINCZINC000001656021
PDB chain3hl2 Chain D Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hl2 The human SepSecS-tRNASec complex reveals the mechanism of selenocysteine formation.
Resolution2.81 Å
Binding residue
(original residue number in PDB)		A143 T144 Q172 S174 C175 N252 A254 Y255 K284
Binding residue
(residue number reindexed from 1)		A121 T122 Q150 S152 C153 N230 A232 Y233 K262
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R75 R97 S98 Q105 Q172 A254 K284 R313
Catalytic site (residue number reindexed from 1) R53 R75 S76 Q83 Q150 A232 K262 R291
Enzyme Commision number 2.9.1.2: O-phospho-L-seryl-tRNA(Sec):L-selenocysteinyl-tRNA synthase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0005515 protein binding
GO:0016740 transferase activity
GO:0098621 O-phosphoseryl-tRNA(Sec) selenium transferase activity
Biological Process
GO:0001514 selenocysteine incorporation
GO:0001717 conversion of seryl-tRNAsec to selenocys-tRNAsec
GO:0006412 translation
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3hl2, PDBe:3hl2, PDBj:3hl2
PDBsum3hl2
PubMed19608919
UniProtQ9HD40|SPCS_HUMAN O-phosphoseryl-tRNA(Sec) selenium transferase (Gene Name=SEPSECS)

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