6L3R

Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004748	molecular_function	ribonucleoside-diphosphate reductase activity, thioredoxin disulfide as acceptor
A	0005524	molecular_function	ATP binding
A	0009263	biological_process	deoxyribonucleotide biosynthetic process
E	0004748	molecular_function	ribonucleoside-diphosphate reductase activity, thioredoxin disulfide as acceptor
E	0005524	molecular_function	ATP binding
E	0009263	biological_process	deoxyribonucleotide biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	binding site for residue TTP A 801

Chain	Residue
A	ASP226
A	HOH921
A	HOH928
E	LYS243
E	TYR285
E	VAL286
E	ASP287
A	SER227
A	ILE228
A	ARG256
A	ILE262
A	ALA263
A	GLY264
A	SER269
A	MG802

---

site_id	AC2
Number of Residues	2
Details	binding site for residue MG A 802

Chain	Residue
A	TTP801
A	HOH928

---

site_id	AC3
Number of Residues	10
Details	binding site for residue E4X A 803

Chain	Residue
A	GLU685
A	ILE686
A	SER687
A	GLN688
A	LYS689
A	ILE712
A	LYS719
A	SER722
A	MET723
A	HOH934

---

site_id	AC4
Number of Residues	7
Details	binding site for residue ACT A 804

Chain	Residue
A	THR199
A	SER448
A	THR604
A	THR607
A	HOH987
A	HOH992
A	HOH1015

---

site_id	AC5
Number of Residues	3
Details	binding site for residue ACT A 805

Chain	Residue
A	THR576
A	ASP577
E	VAL383

---

site_id	AC6
Number of Residues	2
Details	binding site for residue MG E 801

Chain	Residue
E	TTP803
E	HOH940

---

site_id	AC7
Number of Residues	9
Details	binding site for residue E4X E 802

Chain	Residue
E	GLU685
E	ILE686
E	SER687
E	GLN688
E	LYS689
E	ILE712
E	LYS719
E	SER722
E	MET723

---

site_id	AC8
Number of Residues	16
Details	binding site for residue TTP E 803

Chain	Residue
A	LYS243
A	VAL286
A	ASP287
E	ASP226
E	SER227
E	ILE228
E	ILE231
E	ARG256
E	ILE262
E	ALA263
E	GLY264
E	THR265
E	SER269
E	MG801
E	HOH939
E	HOH940

---

site_id	AC9
Number of Residues	6
Details	binding site for residue ACT E 804

Chain	Residue
E	THR199
E	SER448
E	THR607
E	HOH914
E	HOH960
E	HOH963

---

site_id	AD1
Number of Residues	5
Details	binding site for residue SO4 E 805

Chain	Residue
E	SER202
E	SER606
E	HOH914
E	HOH960
E	HOH982

---

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	ACT_SITE: Proton acceptor => ECO:0000250

Chain	Residue	Details
A	ASN427
A	GLU431
E	ASN427
E	GLU431

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	ACT_SITE: Cysteine radical intermediate => ECO:0000250

Chain	Residue	Details
A	CYS429
E	CYS429

---

site_id	SWS_FT_FI3
Number of Residues	10
Details	BINDING: BINDING => ECO:0007744|PDB:3HND

Chain	Residue	Details
A	SER202
E	THR604
A	SER217
A	ASN427
A	GLU431
A	THR604
E	SER202
E	SER217
E	ASN427
E	GLU431

---

site_id	SWS_FT_FI4
Number of Residues	8
Details	BINDING: BINDING => ECO:0007744|PDB:3HNE

Chain	Residue	Details
A	ASP226
A	LYS243
A	ARG256
A	ALA263
E	ASP226
E	LYS243
E	ARG256
E	ALA263

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	SITE: Important for hydrogen atom transfer => ECO:0000250

Chain	Residue	Details
A	CYS218
A	CYS444
E	CYS218
E	CYS444

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	SITE: Important for electron transfer => ECO:0000250

Chain	Residue	Details
A	TYR737
A	TYR738
E	TYR737
E	TYR738

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861

Chain	Residue	Details
A	LYS376
E	LYS376

---