Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4TO2

Structure basis of cellular dNTP regulation, SAMHD1-dGTP-dGTP-dGTP/dTTP complex

Functional Information from PDB Data

site_id	AC1
Number of Residues	18
Details	binding site for residue DGT A 701

Chain	Residue
A	GLN149
A	TYR315
A	ASP319
A	ARG366
A	TYR374
A	GLN375
A	MG702
A	HOH803
A	HOH824
A	HOH825
A	LEU150
A	ARG164
A	ARG206
A	HIS210
A	HIS215
A	HIS233
A	ASP311
A	LYS312

site_id	AC2
Number of Residues	1
Details	binding site for residue MG A 702

Chain	Residue
A	DGT701

site_id	AC3
Number of Residues	17
Details	binding site for residue DGT A 703

Chain	Residue
A	TYR155
A	VAL156
A	VAL378
A	ARG451
A	LYS455
A	HOH804
A	HOH836
A	HOH849
C	LYS523
C	DGT701
C	MG702
D	LYS116
D	VAL117
D	ASP137
D	GLN142
D	ARG145
D	PHE165

site_id	AC4
Number of Residues	21
Details	binding site for residue DGT A 704

Chain	Residue
A	ASP330
A	ARG333
A	ARG352
A	LYS354
A	ASN358
A	LYS523
A	MG705
A	HOH805
A	HOH806
A	HOH823
A	HOH847
B	VAL117
B	ASN119
B	HIS125
C	VAL156
C	PHE157
C	ILE325
C	ARG372
C	HIS376
C	LYS377
C	DGT706

site_id	AC5
Number of Residues	3
Details	binding site for residue MG A 705

Chain	Residue
A	DGT704
A	HOH805
C	DGT706

site_id	AC6
Number of Residues	3
Details	binding site for residue MG A 706

Chain	Residue
B	DGT704
D	DGT704
D	HOH810

site_id	AC7
Number of Residues	19
Details	binding site for residue DGT B 701

Chain	Residue
B	GLN149
B	LEU150
B	ARG164
B	ARG206
B	HIS210
B	HIS215
B	HIS233
B	ASP311
B	LYS312
B	TYR315
B	ASP319
B	ARG366
B	TYR374
B	GLN375
B	MG702
B	HOH802
B	HOH826
B	HOH827
B	HOH828

site_id	AC8
Number of Residues	2
Details	binding site for residue MG B 702

Chain	Residue
B	DGT701
B	HOH828

site_id	AC9
Number of Residues	15
Details	binding site for residue DGT B 703

Chain	Residue
B	TYR155
B	VAL156
B	VAL378
B	ARG451
B	LYS455
C	LYS116
C	VAL117
C	ASP137
C	GLN142
C	ARG145
C	PHE165
C	MG703
D	LYS523
D	DGT701
D	HOH807

site_id	AD1
Number of Residues	20
Details	binding site for residue DGT B 704

Chain	Residue
A	VAL117
A	ILE118
A	ASN119
A	HIS125
A	MG706
B	ASP330
B	ARG333
B	ARG352
B	LYS354
B	ASN358
B	LYS523
B	HOH820
D	VAL156
D	PHE157
D	ILE325
D	ARG372
D	HIS376
D	LYS377
D	DGT704
D	HOH810

site_id	AD2
Number of Residues	20
Details	binding site for residue DGT C 701

Chain	Residue
A	VAL156
A	PHE157
A	ILE325
A	ARG372
A	HIS376
A	LYS377
A	DGT703
A	HOH804
C	ASP330
C	ARG333
C	ARG352
C	LYS354
C	ASN358
C	LYS523
C	MG702
C	HOH810
D	VAL117
D	ILE118
D	ASN119
D	HIS125

site_id	AD3
Number of Residues	3
Details	binding site for residue MG C 702

Chain	Residue
A	DGT703
A	HOH804
C	DGT701

site_id	AD4
Number of Residues	4
Details	binding site for residue MG C 703

Chain	Residue
B	DGT703
C	LYS116
D	DGT701
D	HOH807

site_id	AD5
Number of Residues	17
Details	binding site for residue TTP C 704

Chain	Residue
C	GLN149
C	LEU150
C	ARG164
C	ARG206
C	HIS210
C	HIS215
C	HIS233
C	ASP311
C	LYS312
C	TYR315
C	ASP319
C	ARG366
C	HIS370
C	TYR374
C	GLN375
C	MG705
C	HOH821

site_id	AD6
Number of Residues	2
Details	binding site for residue MG C 705

Chain	Residue
C	ASP309
C	TTP704

site_id	AD7
Number of Residues	17
Details	binding site for residue DGT C 706

Chain	Residue
A	LYS523
A	DGT704
A	MG705
A	HOH805
B	LYS116
B	VAL117
B	ASP137
B	GLN142
B	ARG145
B	PHE165
C	TYR155
C	VAL156
C	VAL378
C	ARG451
C	LYS455
C	HOH808
C	HOH825

site_id	AD8
Number of Residues	20
Details	binding site for residue DGT D 701

Chain	Residue
B	VAL156
B	PHE157
B	ILE325
B	ARG372
B	HIS376
B	LYS377
B	DGT703
C	VAL117
C	ASN119
C	HIS125
C	MG703
D	ASP330
D	ARG333
D	ARG352
D	LYS354
D	ASN358
D	LYS523
D	HOH807
D	HOH808
D	HOH809

site_id	AD9
Number of Residues	21
Details	binding site for residue DGT D 702

Chain	Residue
D	GLN149
D	LEU150
D	ARG164
D	ARG206
D	HIS210
D	HIS215
D	HIS233
D	ASP311
D	LYS312
D	TYR315
D	ASP319
D	ARG366
D	TYR374
D	GLN375
D	MG703
D	HOH805
D	HOH806
D	HOH825
D	HOH830
D	HOH865
D	HOH875

site_id	AE1
Number of Residues	3
Details	binding site for residue MG D 703

Chain	Residue
D	DGT702
D	HOH865
D	HOH875

site_id	AE2
Number of Residues	18
Details	binding site for residue DGT D 704

Chain	Residue
A	LYS116
A	VAL117
A	ASP137
A	GLN142
A	ARG145
A	PHE165
A	MG706
B	LYS523
B	DGT704
D	TYR155
D	VAL156
D	VAL378
D	ARG451
D	LYS455
D	HOH810
D	HOH828
D	HOH849
D	HOH853

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"evidences":[{"source":"PubMed","id":"22056990","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	20
Details	Binding site: {"description":"in chain B","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNX","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"description":"in chain B","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	32
Details	Binding site: {"evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	28
Details	Binding site: {"evidences":[{"source":"PubMed","id":"24141705","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4BZB","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	16
Details	Binding site: {"description":"in chain C","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	12
Details	Binding site: {"description":"in chain A","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	4
Details	Binding site: {"description":"in chain A","evidences":[{"source":"PubMed","id":"24141705","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4BZB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNX","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	8
Details	Binding site: {"description":"in chain C","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNX","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI10
Number of Residues	4
Details	Binding site: {"description":"in chain A","evidences":[{"source":"PubMed","id":"25267621","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4TNP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TNX","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI11
Number of Residues	4
Details	Modified residue: {"description":"Phosphothreonine; by CDK1","evidences":[{"source":"PubMed","id":"23601106","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23602554","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26294762","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26431200","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29610582","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29670289","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17081983","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"20068231","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI12
Number of Residues	16
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)