5TUS

Potent competitive inhibition of human ribonucleotide reductase by a novel non-nucleoside small molecule

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0000731	biological_process	DNA synthesis involved in DNA repair
A	0003824	molecular_function	catalytic activity
A	0004748	molecular_function	ribonucleoside-diphosphate reductase activity, thioredoxin disulfide as acceptor
A	0005515	molecular_function	protein binding
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005829	cellular_component	cytosol
A	0005971	cellular_component	ribonucleoside-diphosphate reductase complex
A	0006264	biological_process	mitochondrial DNA replication
A	0006281	biological_process	DNA repair
A	0009185	biological_process	ribonucleoside diphosphate metabolic process
A	0009263	biological_process	deoxyribonucleotide biosynthetic process
A	0009265	biological_process	2'-deoxyribonucleotide biosynthetic process
A	0010971	biological_process	positive regulation of G2/M transition of mitotic cell cycle
A	0016491	molecular_function	oxidoreductase activity
A	0017076	molecular_function	purine nucleotide binding
A	0036175	molecular_function	ribonucleoside-diphosphate reductase activity, glutaredoxin disulfide as acceptor
A	0042802	molecular_function	identical protein binding
A	0051290	biological_process	protein heterotetramerization
A	0061731	molecular_function	ribonucleoside-diphosphate reductase activity
A	0070318	biological_process	positive regulation of G0 to G1 transition
A	0097718	molecular_function	disordered domain specific binding
A	1900087	biological_process	positive regulation of G1/S transition of mitotic cell cycle
B	0000166	molecular_function	nucleotide binding
B	0000731	biological_process	DNA synthesis involved in DNA repair
B	0003824	molecular_function	catalytic activity
B	0004748	molecular_function	ribonucleoside-diphosphate reductase activity, thioredoxin disulfide as acceptor
B	0005515	molecular_function	protein binding
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0005829	cellular_component	cytosol
B	0005971	cellular_component	ribonucleoside-diphosphate reductase complex
B	0006264	biological_process	mitochondrial DNA replication
B	0006281	biological_process	DNA repair
B	0009185	biological_process	ribonucleoside diphosphate metabolic process
B	0009263	biological_process	deoxyribonucleotide biosynthetic process
B	0009265	biological_process	2'-deoxyribonucleotide biosynthetic process
B	0010971	biological_process	positive regulation of G2/M transition of mitotic cell cycle
B	0016491	molecular_function	oxidoreductase activity
B	0017076	molecular_function	purine nucleotide binding
B	0036175	molecular_function	ribonucleoside-diphosphate reductase activity, glutaredoxin disulfide as acceptor
B	0042802	molecular_function	identical protein binding
B	0051290	biological_process	protein heterotetramerization
B	0061731	molecular_function	ribonucleoside-diphosphate reductase activity
B	0070318	biological_process	positive regulation of G0 to G1 transition
B	0097718	molecular_function	disordered domain specific binding
B	1900087	biological_process	positive regulation of G1/S transition of mitotic cell cycle

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	binding site for residue TTP A 1601

Chain	Residue
A	ASP226
A	MG1602
B	LYS243
B	TYR285
B	VAL286
B	ASP287
B	GLN288
B	GLY289
A	SER227
A	ILE228
A	ARG256
A	ILE262
A	ALA263
A	GLY264
A	SER269
A	ASN270

---

site_id	AC2
Number of Residues	1
Details	binding site for residue MG A 1602

Chain	Residue
A	TTP1601

---

site_id	AC3
Number of Residues	17
Details	binding site for residue TTP B 1601

Chain	Residue
A	LYS243
A	TYR285
A	VAL286
A	ASP287
A	GLN288
B	ASP226
B	SER227
B	ILE228
B	ILE231
B	ILE255
B	ARG256
B	ILE262
B	ALA263
B	GLY264
B	SER269
B	ASN270
B	MG1602

---

site_id	AC4
Number of Residues	1
Details	binding site for residue MG B 1602

Chain	Residue
B	TTP1601

---

site_id	AC5
Number of Residues	11
Details	binding site for residue 7LL B 1603

Chain	Residue
B	ALA201
B	SER202
B	SER217
B	CYS218
B	LEU428
B	CYS429
B	MET602
B	PRO603
B	THR604
B	SER606
B	THR607

---

Functional Information from PROSITE/UniProt

site_id	PS00089
Number of Residues	23
Details	RIBORED_LARGE Ribonucleotide reductase large subunit signature. WkvLkekiakyGIRNsllIApmP

Chain	Residue	Details
A	TRP581-PRO603

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Active site: {"description":"Cysteine radical intermediate","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	27
Details	Binding site: {"evidences":[{"source":"PDB","id":"3HNE","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	14
Details	Binding site: {"evidences":[{"source":"PDB","id":"3HND","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Site: {"description":"Important for hydrogen atom transfer","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	Site: {"description":"Important for electron transfer","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	4
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	91
Details	Domain: {"description":"ATP-cone","evidences":[{"source":"PROSITE-ProRule","id":"PRU00492","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---