5AO2

Crystal structure of human SAMHD1 (amino acid residues 115-583) R164A variant bound to dGTP

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE A 1001

Chain	Residue
A	HIS167
A	HIS206
A	ASP207
A	ASP311
A	HOH2001

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE B 1001

Chain	Residue
B	HOH2001
B	HIS167
B	HIS206
B	ASP207
B	ASP311

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE C 1001

Chain	Residue
C	HIS167
C	HIS206
C	ASP207
C	ASP311

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE D 1001

Chain	Residue
D	HIS167
D	HIS206
D	ASP207
D	ASP311

---

site_id	AC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE DGT B 1583

Chain	Residue
A	LYS116
A	VAL117
A	ILE118
A	ASP137
A	GLN142
A	ARG145
A	PHE165
B	TYR155
B	VAL156
B	VAL378
B	ARG451

---

site_id	AC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE DGT A 1583

Chain	Residue
A	TYR155
A	VAL156
A	VAL378
A	ARG451
A	LEU453
B	LYS116
B	VAL117
B	ILE118
B	ASP137
B	GLN142
B	ARG145
B	PHE165

---

site_id	AC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE DGT C 1583

Chain	Residue
C	LYS116
C	VAL117
C	VAL133
C	ASP137
C	GLN142
C	ARG145
C	PHE165
D	TYR155
D	VAL156
D	VAL378
D	ARG451

---

site_id	AC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE DGT C 1584

Chain	Residue
C	TYR155
C	VAL156
C	VAL378
C	ARG451
D	LYS116
D	VAL117
D	ASP137
D	GLN142
D	ARG145
D	PHE165

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: ACT_SITE => ECO:0000305|PubMed:22056990

Chain	Residue	Details
A	HIS233
B	HIS233
C	HIS233
D	HIS233

---

site_id	SWS_FT_FI2
Number of Residues	24
Details	BINDING: in other chain => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200

Chain	Residue	Details
A	LYS116
B	ARG352
B	ASN358
B	LYS523
C	LYS116
C	ASP137
C	ARG333
C	ARG352
C	ASN358
C	LYS523
D	LYS116
A	ASP137
D	ASP137
D	ARG333
D	ARG352
D	ASN358
D	LYS523
A	ARG333
A	ARG352
A	ASN358
A	LYS523
B	LYS116
B	ASP137
B	ARG333

---

site_id	SWS_FT_FI3
Number of Residues	20
Details	BINDING: BINDING => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25267621, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26294762, ECO:0000269|PubMed:26431200

Chain	Residue	Details
A	ASN119
B	LYS455
C	ASN119
C	HIS376
C	LYS377
C	ARG451
C	LYS455
D	ASN119
D	HIS376
D	LYS377
D	ARG451
A	HIS376
D	LYS455
A	LYS377
A	ARG451
A	LYS455
B	ASN119
B	HIS376
B	LYS377
B	ARG451

---

site_id	SWS_FT_FI4
Number of Residues	32
Details	BINDING: BINDING => ECO:0000269|PubMed:24141705

Chain	Residue	Details
A	GLN149
B	ALA164
B	HIS210
B	ASP309
B	TYR315
B	ASP319
B	ARG366
B	HIS370
C	GLN149
C	ALA164
C	HIS210
A	ALA164
C	ASP309
C	TYR315
C	ASP319
C	ARG366
C	HIS370
D	GLN149
D	ALA164
D	HIS210
D	ASP309
D	TYR315
A	HIS210
D	ASP319
D	ARG366
D	HIS370
A	ASP309
A	TYR315
A	ASP319
A	ARG366
A	HIS370
B	GLN149

---

site_id	SWS_FT_FI5
Number of Residues	16
Details	BINDING: BINDING => ECO:0000269|PubMed:24141705, ECO:0000269|PubMed:24217394, ECO:0000269|PubMed:25288794, ECO:0000269|PubMed:25760601, ECO:0000269|PubMed:26431200

Chain	Residue	Details
A	HIS167
C	HIS206
C	ASP207
C	ASP311
D	HIS167
D	HIS206
D	ASP207
D	ASP311
A	HIS206
A	ASP207
A	ASP311
B	HIS167
B	HIS206
B	ASP207
B	ASP311
C	HIS167

---

site_id	SWS_FT_FI6
Number of Residues	16
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733

Chain	Residue	Details
A	LYS467
C	LYS469
C	LYS492
D	LYS467
D	LYS469
D	LYS492
A	LYS469
A	LYS492
B	LYS467
B	LYS469
B	LYS492
C	LYS467

---