Structure of PDB 4hrq Chain A Binding Site BS01

Receptor Information

>4hrq Chain A (length=189) Species: 228410 (Nitrosomonas europaea ATCC 19718) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MNDALHIGLPPFLVQANNEPRVLAAPEARMGYVLELVRANIAADGGPFAA
AVFERDSGLLIAAGTNRVVPGRCSAAHAEILALSLAQAKLDTHDLSADGL
PACELVTSAEPCVMCFGAVIWSGVRSLVCAARSDDVEAIGFDEGPRPENW
MGGLEARGITVTTGLLRDAACALLREYNACNGVIYNARC

Ligand information

Ligand ID

AZG

InChI

InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)

InChIKey

LPXQRXLUHJKZIE-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c12c(nc(nc1O)N)nn[nH]2
ACDLabs 10.04	n1c(O)c2c(nc1N)nnn2
CACTVS 3.341	Nc1nc(O)c2[nH]nnc2n1

Formula

C4 H4 N6 O

Name

5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL;
8-AZAGUANINE

PDB chain

4hrq Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4hrq Identification of function and mechanistic insights of guanine deaminase from Nitrosomonas europaea: role of the C-terminal loop in catalysis
Resolution	1.9 Å
Binding residue (original residue number in PDB)	F48 N66 H77 E79
Binding residue (residue number reindexed from 1)	F48 N66 H77 E79
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0003824	catalytic activity
GO:0008270	zinc ion binding
GO:0016787	hydrolase activity
GO:0046872	metal ion binding
GO:0047974	guanosine deaminase activity

	Biological Process
GO:0006152	purine nucleoside catabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:4hrq, PDBe:4hrq, PDBj:4hrq
PDBsum	4hrq
PubMed	23557066
UniProt	Q82Y41

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