Structure of PDB 1pjx Chain A Binding Site BS04

Receptor Information
>1pjx Chain A (length=314) Species: 6622 (Loligo vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEIPVIEPLFTKVTEDIPGAEGPVFDKNGDFYIVAPEVEVNGKPAGEILR
IDLKTGKKTVICKPEVNGYGGIPAGCQCDRDANQLFVADMRLGLLVVQTD
GTFEEIAKKDSEGRRMQGCNDCAFDYEGNLWITAPAGEVAPADYTRSMQE
KFGSIYCFTTDGQMIQVDTAFQFPNGIAVRHMNDGRPYQLIVAETPTKKL
WSYDIKGPAKIENKKVWGHIPGTHEGGADGMDFDEDNNLLVANWGSSHIE
VFGPDGGQPKMRIRCPFEKPSNLHFKPQTKTIFVTEHENNAVWKFEWQRN
GKKQYCETLKFGIF
Ligand information
Ligand IDDXE
InChIInChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
InChIKeyXTHFKEDIFFGKHM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(C)CCOC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COCCOC
FormulaC4 H10 O2
Name1,2-DIMETHOXYETHANE
ChEMBLCHEMBL1232411
DrugBankDB01749
ZINCZINC000001690289
PDB chain1pjx Chain A Residue 442 [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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PDB1pjx Statistical analysis of crystallographic data obtained from squid ganglion DFPase at 0.85 A resolution.
Resolution0.85 Å
Binding residue
(original residue number in PDB)		W244 K269
Binding residue
(residue number reindexed from 1)		W244 K269
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E21 E37 N120 N175 D229 H287
Catalytic site (residue number reindexed from 1) E21 E37 N120 N175 D229 H287
Enzyme Commision number 3.8.2.2: diisopropyl-fluorophosphatase.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0047862 diisopropyl-fluorophosphatase activity
Biological Process
GO:0008150 biological_process

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Molecular Function
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Biological Process
External links
PDB RCSB:1pjx, PDBe:1pjx, PDBj:1pjx
PDBsum1pjx
PubMed14501113
UniProtQ7SIG4|DFPA_LOLVU Diisopropyl-fluorophosphatase

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