1H78

STRUCTURAL BASIS FOR ALLOSTERIC SUBSTRATE SPECIFICITY REGULATION IN CLASS III RIBONUCLEOTIDE REDUCTASES: NRDD IN COMPLEX WITH DCTP.

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004748	molecular_function	ribonucleoside-diphosphate reductase activity, thioredoxin disulfide as acceptor
A	0006260	biological_process	DNA replication
A	0008998	molecular_function	ribonucleoside-triphosphate reductase (thioredoxin) activity
A	0009265	biological_process	2'-deoxyribonucleotide biosynthetic process
A	0016491	molecular_function	oxidoreductase activity
A	0031250	cellular_component	anaerobic ribonucleoside-triphosphate reductase complex
A	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG A1590

Chain	Residue
A	DCP1589
A	HOH2096

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site_id	AC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE DCP A1588

Chain	Residue
A	ASN447
A	LEU448
A	ARG451
A	HOH2093
A	HOH2095
A	HIS64
A	HIS66
A	ASP67
A	THR443
A	PRO444
A	ALA445
A	GLU446

---

site_id	AC3
Number of Residues	15
Details	BINDING SITE FOR RESIDUE DCP A1589

Chain	Residue
A	ILE99
A	GLU100
A	LYS103
A	VAL107
A	ILE111
A	GLN114
A	LYS146
A	ASP173
A	GLN176
A	ALA177
A	TYR180
A	MG1590
A	HOH2019
A	HOH2029
A	HOH2096

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	BINDING: BINDING => ECO:0000269|PubMed:12655046, ECO:0007744|PDB:1HK8

Chain	Residue	Details
A	HIS64
A	HIS66
A	ASP67
A	LYS103
A	ASN447
A	LEU448

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	BINDING: BINDING => ECO:0000269|PubMed:11587648, ECO:0007744|PDB:1H79

Chain	Residue	Details
A	GLU100
A	GLN114
A	LYS146

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:11587648, ECO:0007744|PDB:1H78

Chain	Residue	Details
A	ALA445

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site_id	SWS_FT_FI4
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:12655046, ECO:0000305|PubMed:11587648, ECO:0007744|PDB:1HK8

Chain	Residue	Details
A	CYS543
A	CYS546
A	CYS561
A	CYS564

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	MOD_RES: Glycine radical => ECO:0000269|PubMed:8702830

Chain	Residue	Details
A	ALA580

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	5
Details	Annotated By Reference To The Literature 1h7a

Chain	Residue	Details
A	ASN311
A	ALA580
A	CYS79
A	CYS290
A	GLU446

---

site_id	MCSA1
Number of Residues	9
Details	M-CSA 416

Chain	Residue	Details
A	ASN78	activator, electrostatic stabiliser
A	CYS79	hydrogen radical relay
A	MET288	radical stabiliser
A	CYS290	hydrogen radical relay
A	SER292	electrostatic stabiliser
A	ASN311	electrostatic stabiliser
A	TYR441	electrostatic stabiliser
A	GLU446	electrostatic stabiliser
A	ALA580	hydrogen radical relay

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