Structure of PDB 3ks5 Chain B Binding Site BS01

Receptor Information
>3ks5 Chain B (length=248) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMTRIASHRGGTLEFGDSTPHGFTATAAMALEEVEFDLHPTADGAIVVHH
DPTLDATTDMTGAIVDMTLAKVKTATIRYGAGSHPMTLEELCALYVDSHV
NFRCEIKPGVDGLPYEGFVALVIAGLERHSMLERTTFSSFLLASMDELWK
ATTRPRLWLVSPSVLQQLGPGAVIETAIAHSIHEIGVHIDTADAGLMAQV
QAAGLDFGCWAAHTPSQITKALDLGVKVFTTDRPTLAIALRTEHRMEA
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain3ks5 Chain B Residue 250 [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]
PDB3ks5 Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (17743486) from AGROBACTERIUM TUMEFACIENS str. C58 (Dupont) at 2.05 A resolution
Resolution2.05 Å
Binding residue
(original residue number in PDB)		E34 D36 E104
Binding residue
(residue number reindexed from 1)		E35 D37 E105
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H7 R8 E34 D36 H49 E104 K106 D231
Catalytic site (residue number reindexed from 1) H8 R9 E35 D37 H50 E105 K107 D232
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008081 phosphoric diester hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006629 lipid metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3ks5, PDBe:3ks5, PDBj:3ks5
PDBsum3ks5
PubMed
UniProtA9CLR1

[Back to BioLiP]