Structure of PDB 1l7p Chain B Binding Site BS01

Receptor Information
>1l7p Chain B (length=210) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKKKKLILFNFDSTLVNNETIDEIAREAGVEEEVKKITKEAMEGKLNFEQ
SLRKRVSLLKDLPIEKVEKAIKRITPTEGAEETIKELKNRGYVVAVVSGG
FDIAVNKIKEKLGLDYAFANRLIVKDGKLTGDVEGEVLKENAKGEILEKI
AKIEGINLEDTVAVGDGANDISMFKKAGLKIAFCAKPILKEKADICIEKR
DLREILKYIK
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 chain1l7p Chain B Residue 270 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1l7p Structural characterization of the reaction pathway in phosphoserine phosphatase: crystallographic "snapshots" of intermediate states.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F512 D513 E520 M543 F549 R556 S599 G600 K644 N670
Binding residue
(residue number reindexed from 1)		F11 D12 E19 M42 F48 R55 S98 G99 K143 N169
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) N511 F512 D513 G600 K644 D671
Catalytic site (residue number reindexed from 1) N10 F11 D12 G99 K143 D170
Enzyme Commision number 3.1.3.3: phosphoserine phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016787 hydrolase activity
GO:0036424 L-phosphoserine phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0006564 L-serine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1l7p, PDBe:1l7p, PDBj:1l7p
PDBsum1l7p
PubMed12051918
UniProtQ58989|SERB_METJA Phosphoserine phosphatase (Gene Name=MJ1594)

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