Het-PDB Navi2 (PDB: 1NDV)

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Ligands
Code	Name		Style	Show	Link
FR0	N''-(4-(5-((1h-benzimidazol-2-ylamino)methyl)-2-thienyl)-1,3-thiazol-2-yl)guanidine				PoSSuM
ZN	Zinc ion				PoSSuM

Non-standard Residues
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Download interaction data: 1NDV

Code :

1NDV PDBj RCSB PDB PDBe

Header :

HYDROLASE

Title :

Crystal Structure of Adenosine Deaminase complexed with FR117016

Release Data :

2003-12-09

Compound :

mol_id	molecule	chains
1	Adenosine deaminase	A
	ec: 3.5.4.4

Source :

mol_id	organism_scientific	organism_common
1	Bos taurus (taxid:9913)	Cattle
	tissue: intestine

Authors :

Kinoshita, T.

Keywords :

Structure-Based Drug Design, Beta barrel, inhibitor-induced conformational change, hydrolase

Exp. method :

X-RAY DIFFRACTION ( 2.3 Å )

Citation :

A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization

Terasaka, T.,Kinoshita, T.,Kuno, M. et al.
(2004) J.Am.Chem.Soc. 126 : 34 - 35

Chain :

UniProt :

P56658 (ADA_BOVIN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
adenosine + H(+) + H2O = inosine + NH4(+)	3.5.4.4	UniProtKB:P00813
adenosine + H(+) + H2O = inosine + NH4(+)	left-to-right	UniProtKB:P00813
2'-deoxyadenosine + H(+) + H2O = 2'-deoxyinosine + NH4(+)	3.5.4.4	UniProtKB:P00813
2'-deoxyadenosine + H(+) + H2O = 2'-deoxyinosine + NH4(+)	left-to-right	UniProtKB:P00813

PDB ID: 1NDV