Structure of PDB 2enx Chain B Binding Site BS04

Receptor Information
>2enx Chain B (length=310) Species: 205921 (Streptococcus agalactiae A909) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKILVFGHQNPDSDAIGSSVAFAYLAKEAWGLDTEAVALGTPNEETAYVL
DYFGVQAPRVVESAKAEGVETVILTDHNEFQQSISDIKDVTVYGVVDHHR
VANFETANPLYMRLEPVGSASSIVYRMFKENGVSVPKELAGLLLSGLISD
TLLLKSPTTHASDIPVAKELAELAGVNLEEYGLEMLKAGTNLSSKTAAEL
IDIDAKTFELNGEAVRVAQVNTVDINDILARQEEIEVAIQEAIVTEGYSD
FVLMITDIVNSNSEILALGSNMAKVEAAFEFTLENNHAFLAGAVSRKKQV
VPQLTESYNA
Ligand information
Ligand IDTRP
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKeyQIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
FormulaC11 H12 N2 O2
NameTRYPTOPHAN
ChEMBLCHEMBL54976
DrugBankDB00150
ZINCZINC000000083315
PDB chain2enx Chain B Residue 2031 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2enx Structure of the Streptococcus agalactiae family II inorganic pyrophosphatase at 2.80 A resolution
Resolution2.8 Å
Binding residue
(original residue number in PDB)		W31 Y112 M128
Binding residue
(residue number reindexed from 1)		W30 Y111 M127
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.1: inorganic diphosphatase.
Gene Ontology
Molecular Function
GO:0004427 inorganic diphosphate phosphatase activity
GO:0016462 pyrophosphatase activity
GO:0016787 hydrolase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:2enx, PDBe:2enx, PDBj:2enx
PDBsum2enx
PubMed17505113
UniProtQ3K0B5|PPAC_STRA1 Probable manganese-dependent inorganic pyrophosphatase (Gene Name=ppaC)

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