Structure of PDB 4ij6 Chain B Binding Site BS01

Receptor Information
>4ij6 Chain B (length=203) Species: 608538 (Hydrogenobacter thermophilus TK-6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVKLILVRAAESEWNPVGRYQGLLDPDLSERGKKQAKLLAQELSREHLDV
IYSSPLKRTYLTALEIAEAKNLEVIKEDRIIEIDHGMWSGMLVEEVMEKY
PEDFRRWVEEPHKVEFQGGESLASVYNRVKGFLEEVRKRHWNQTVVVVSH
TVPMRAMYCALLGVDLSKFWSFGCDNASYSVIHMEERRNVILKLNITCHL
GEF
Ligand information
Ligand IDSEP
InChIInChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKeyBZQFBWGGLXLEPQ-REOHCLBHSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(C(=O)O)N
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)OP(=O)(O)O
CACTVS 3.341N[CH](CO[P](O)(O)=O)C(O)=O
CACTVS 3.341N[C@@H](CO[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)OP(=O)(O)O
FormulaC3 H8 N O6 P
NamePHOSPHOSERINE;
PHOSPHONOSERINE
ChEMBLCHEMBL284377
DrugBankDB04522
ZINCZINC000003869280
PDB chain4ij6 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4ij6 Structural units important for activity of a novel-type phosphoserine phosphatase from Hydrogenobacter thermophilus TK-6 revealed by crystal structure analysis
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R8 Q21 R58 E82 H85 H150 T151
Binding residue
(residue number reindexed from 1)		R8 Q21 R58 E82 H85 H150 T151
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R8 A9 N15 R58 E82 H150
Catalytic site (residue number reindexed from 1) R8 A9 N15 R58 E82 H150
Enzyme Commision number 3.1.3.3: phosphoserine phosphatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0036424 L-phosphoserine phosphatase activity
Biological Process
GO:0006564 L-serine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ij6, PDBe:4ij6, PDBj:4ij6
PDBsum4ij6
PubMed23479726
UniProtD3DFG8|PSPA_HYDTT Phosphoserine phosphatase 1 (Gene Name=pspA)

[Back to BioLiP]