1NDV

Crystal Structure of Adenosine Deaminase complexed with FR117016

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004000	molecular_function	adenosine deaminase activity
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005764	cellular_component	lysosome
A	0005829	cellular_component	cytosol
A	0005886	cellular_component	plasma membrane
A	0006154	biological_process	adenosine catabolic process
A	0007155	biological_process	cell adhesion
A	0008270	molecular_function	zinc ion binding
A	0009117	biological_process	nucleotide metabolic process
A	0009168	biological_process	purine ribonucleoside monophosphate biosynthetic process
A	0009897	cellular_component	external side of plasma membrane
A	0016020	cellular_component	membrane
A	0016787	molecular_function	hydrolase activity
A	0019239	molecular_function	deaminase activity
A	0031410	cellular_component	cytoplasmic vesicle
A	0042110	biological_process	T cell activation
A	0043103	biological_process	hypoxanthine salvage
A	0045187	biological_process	regulation of circadian sleep/wake cycle, sleep
A	0046103	biological_process	inosine biosynthetic process
A	0046872	molecular_function	metal ion binding
A	0046936	molecular_function	2'-deoxyadenosine deaminase activity
A	0060169	biological_process	negative regulation of adenosine receptor signaling pathway
A	0060205	cellular_component	cytoplasmic vesicle lumen
A	0070161	cellular_component	anchoring junction

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN A 400

Chain	Residue
A	HIS15
A	HIS17
A	HIS214
A	ASP295
A	HOH1099

---

site_id	AC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE FR0 A 1001

Chain	Residue
A	LEU62
A	PHE65
A	GLY184
A	GLU217
A	THR269
A	ASP296
A	HOH1005
A	HOH1030
A	HOH1212
A	HOH1269
A	HOH1286
A	HOH1287
A	HOH1386
A	HIS17
A	ASP19
A	LEU56
A	PHE61

---

Functional Information from PROSITE/UniProt

site_id	PS00485
Number of Residues	7
Details	A_DEAMINASE Adenosine and AMP deaminase signature. SLNTDDP

Chain	Residue	Details
A	SER291-PRO297

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton donor","evidences":[{"source":"UniProtKB","id":"P03958","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12554940","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14709046","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15139750","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15213224","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15239652","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15695814","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16033254","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16060665","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18549808","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1KRM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NDV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NDW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NDY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NDZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1O5R","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QXL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1VFL","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12554940","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14709046","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15139750","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15239652","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16033254","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16060665","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18549808","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1NDW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NDY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NDZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1O5R","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QXL","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"14709046","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16060665","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1NDY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1WXY","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12554940","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14709046","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15139750","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15239652","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16033254","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18549808","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1NDW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NDY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NDZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1O5R","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QXL","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Site: {"description":"Important for interaction with adenosine receptors and increasing their affinity for agonists","evidences":[{"source":"UniProtKB","id":"P00813","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Site: {"description":"Important for catalytic activity","evidences":[{"source":"UniProtKB","id":"P03958","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"P00813","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1a4l

Chain	Residue	Details
A	HIS238
A	TYR240
A	GLU217
A	ASP295

---