8VHP

Crystal structure of E. coli class Ia ribonucleotide reductase alpha subunit W28A variant bound to CDP and two molecules of ATP

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	TRP599-PRO621

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	ASN437
E	GLU441
F	ASN437
F	GLU441
G	ASN437
G	GLU441
H	ASN437
H	GLU441
A	GLU441
B	ASN437
B	GLU441
C	ASN437
C	GLU441
D	ASN437
D	GLU441
E	ASN437

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site_id	SWS_FT_FI2
Number of Residues	8
Details	ACT_SITE: Cysteine radical intermediate

Chain	Residue	Details
A	CYS439
B	CYS439
C	CYS439
D	CYS439
E	CYS439
F	CYS439
G	CYS439
H	CYS439

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site_id	SWS_FT_FI3
Number of Residues	32
Details	BINDING: BINDING => ECO:0000269|PubMed:9309223, ECO:0007744|PDB:3R1R

Chain	Residue	Details
A	LYS9
C	GLU15
C	THR55
C	LYS91
D	LYS9
D	GLU15
D	THR55
D	LYS91
E	LYS9
E	GLU15
E	THR55
A	GLU15
E	LYS91
F	LYS9
F	GLU15
F	THR55
F	LYS91
G	LYS9
G	GLU15
G	THR55
G	LYS91
H	LYS9
A	THR55
H	GLU15
H	THR55
H	LYS91
A	LYS91
B	LYS9
B	GLU15
B	THR55
B	LYS91
C	LYS9

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site_id	SWS_FT_FI4
Number of Residues	56
Details	BINDING: BINDING => ECO:0000269|PubMed:9309223, ECO:0007744|PDB:4R1R

Chain	Residue	Details
A	THR209
B	ARG262
B	ARG269
B	ASN437
B	GLU441
B	GLU623
C	THR209
C	ASP232
C	ARG262
C	ARG269
C	ASN437
A	ASP232
C	GLU441
C	GLU623
D	THR209
D	ASP232
D	ARG262
D	ARG269
D	ASN437
D	GLU441
D	GLU623
E	THR209
A	ARG262
E	ASP232
E	ARG262
E	ARG269
E	ASN437
E	GLU441
E	GLU623
F	THR209
F	ASP232
F	ARG262
F	ARG269
A	ARG269
F	ASN437
F	GLU441
F	GLU623
G	THR209
G	ASP232
G	ARG262
G	ARG269
G	ASN437
G	GLU441
G	GLU623
A	ASN437
H	THR209
H	ASP232
H	ARG262
H	ARG269
H	ASN437
H	GLU441
H	GLU623
A	GLU441
A	GLU623
B	THR209
B	ASP232

---

site_id	SWS_FT_FI5
Number of Residues	16
Details	SITE: Important for hydrogen atom transfer

Chain	Residue	Details
A	CYS225
E	CYS462
F	CYS225
F	CYS462
G	CYS225
G	CYS462
H	CYS225
H	CYS462
A	CYS462
B	CYS225
B	CYS462
C	CYS225
C	CYS462
D	CYS225
D	CYS462
E	CYS225

---

site_id	SWS_FT_FI6
Number of Residues	16
Details	SITE: Important for electron transfer

Chain	Residue	Details
A	TYR730
E	TYR731
F	TYR730
F	TYR731
G	TYR730
G	TYR731
H	TYR730
H	TYR731
A	TYR731
B	TYR730
B	TYR731
C	TYR730
C	TYR731
D	TYR730
D	TYR731
E	TYR730

---

site_id	SWS_FT_FI7
Number of Residues	16
Details	SITE: Interacts with thioredoxin/glutaredoxin

Chain	Residue	Details
A	CYS754
E	CYS759
F	CYS754
F	CYS759
G	CYS754
G	CYS759
H	CYS754
H	CYS759
A	CYS759
B	CYS754
B	CYS759
C	CYS754
C	CYS759
D	CYS754
D	CYS759
E	CYS754

---

site_id	SWS_FT_FI8
Number of Residues	8
Details	MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:18723842

Chain	Residue	Details
A	LYS283
B	LYS283
C	LYS283
D	LYS283
E	LYS283
F	LYS283
G	LYS283
H	LYS283

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	7
Details	M-CSA 918

Chain	Residue	Details
A	CYS225	proton donor
A	ASN437
A	CYS439	hydrogen radical acceptor, hydrogen radical donor, single electron acceptor
A	GLU441	proton acceptor
A	CYS462
A	TYR730	pi-pi interaction, single electron relay
A	TYR731	pi-pi interaction, single electron relay

---

site_id	MCSA2
Number of Residues	7
Details	M-CSA 918

Chain	Residue	Details
B	CYS225	proton donor
B	ASN437
B	CYS439	hydrogen radical acceptor, hydrogen radical donor, single electron acceptor
B	GLU441	proton acceptor
B	CYS462
B	TYR730	pi-pi interaction, single electron relay
B	TYR731	pi-pi interaction, single electron relay

---

site_id	MCSA3
Number of Residues	7
Details	M-CSA 918

Chain	Residue	Details
C	CYS225	proton donor
C	ASN437
C	CYS439	hydrogen radical acceptor, hydrogen radical donor, single electron acceptor
C	GLU441	proton acceptor
C	CYS462
C	TYR730	pi-pi interaction, single electron relay
C	TYR731	pi-pi interaction, single electron relay

---

site_id	MCSA4
Number of Residues	7
Details	M-CSA 918

Chain	Residue	Details
D	CYS225	proton donor
D	ASN437
D	CYS439	hydrogen radical acceptor, hydrogen radical donor, single electron acceptor
D	GLU441	proton acceptor
D	CYS462
D	TYR730	pi-pi interaction, single electron relay
D	TYR731	pi-pi interaction, single electron relay

---

site_id	MCSA5
Number of Residues	7
Details	M-CSA 918

Chain	Residue	Details
E	CYS225	proton donor
E	ASN437
E	CYS439	hydrogen radical acceptor, hydrogen radical donor, single electron acceptor
E	GLU441	proton acceptor
E	CYS462
E	TYR730	pi-pi interaction, single electron relay
E	TYR731	pi-pi interaction, single electron relay

---

site_id	MCSA6
Number of Residues	7
Details	M-CSA 918

Chain	Residue	Details
F	CYS225	proton donor
F	ASN437
F	CYS439	hydrogen radical acceptor, hydrogen radical donor, single electron acceptor
F	GLU441	proton acceptor
F	CYS462
F	TYR730	pi-pi interaction, single electron relay
F	TYR731	pi-pi interaction, single electron relay

---

site_id	MCSA7
Number of Residues	7
Details	M-CSA 918

Chain	Residue	Details
G	CYS225	proton donor
G	ASN437
G	CYS439	hydrogen radical acceptor, hydrogen radical donor, single electron acceptor
G	GLU441	proton acceptor
G	CYS462
G	TYR730	pi-pi interaction, single electron relay
G	TYR731	pi-pi interaction, single electron relay

---

site_id	MCSA8
Number of Residues	7
Details	M-CSA 918

Chain	Residue	Details
H	CYS225	proton donor
H	ASN437
H	CYS439	hydrogen radical acceptor, hydrogen radical donor, single electron acceptor
H	GLU441	proton acceptor
H	CYS462
H	TYR730	pi-pi interaction, single electron relay
H	TYR731	pi-pi interaction, single electron relay

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