Structure of PDB 3e0l Chain A Binding Site BS01

Receptor Information
>3e0l Chain A (length=442) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLAHIFRGTFVHSTWTCPMEVLRDHLLGVSDSGKIVFLEEASQQEKLAKE
WCFKPCEIRELSHHEFFMPGLVDTHIHASQYSFAGSSIDLPLLEWLTKYT
FPAEHRFQNIDFAEEVYTRVVRRTLKNGTTTACYFATIHTDSSLLLADIT
DKFGQRAFVGKVCMDLNDTFPEYKETTEESIKETERFVSEMLQKNYSRVK
PIVTPGNGVSETLMGELGNIAKTRDLHIQSHISENRDEVEAVKNLYPSYK
NYTSVYDKNNLLTNKTVMAHGCYLSAEELNVFHERGASIAHCPNSNLSLS
SGFLNVLEVLKHEVKIGLGTDVAGGYSYSMLDAIRRAVMVSNILLINKVN
EKSLTLKEVFRLATLGGSQALGLDGEIGNFEVGKEFDAILINPKASDSPI
DLFYGDFFGDISEAVIQKFLYLGDDRNIEEVYVGGKQVVPFS
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3e0l Chain A Residue 1452 [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]
PDB3e0l Alteration of enzyme specificity by computational loop remodeling and design.
Resolution2.37 Å
Binding residue
(original residue number in PDB)		H82 H84 H238 D328
Binding residue
(residue number reindexed from 1)		H75 H77 H231 D321
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.4.3: guanine deaminase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0008892 guanine deaminase activity
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872 metal ion binding
Biological Process
GO:0000255 allantoin metabolic process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006147 guanine catabolic process
GO:0006161 deoxyguanosine catabolic process
GO:0007399 nervous system development
GO:0043605 amide catabolic process
GO:0046038 GMP catabolic process
GO:0046055 dGMP catabolic process
GO:0046098 guanine metabolic process
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3e0l, PDBe:3e0l, PDBj:3e0l
PDBsum3e0l
PubMed19470646
UniProtQ9Y2T3|GUAD_HUMAN Guanine deaminase (Gene Name=GDA)

[Back to BioLiP]