Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4QFZ

Crystal structure of the tetrameric dGTP/dTTP-bound SAMHD1 (RN206) mutant catalytic core

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE DGT A 701

Chain	Residue
A	TYR155
D	GLN142
D	ARG145
D	PHE165
D	MG706
D	HOH863
A	VAL156
A	VAL378
A	ARG451
A	LYS455
C	TTP701
D	LYS116
D	VAL117
D	ASP137

site_id	AC2
Number of Residues	21
Details	BINDING SITE FOR RESIDUE TTP A 702

Chain	Residue
A	GLN149
A	LEU150
A	ARG164
A	ARG206
A	HIS210
A	HIS215
A	HIS233
A	ASP311
A	LYS312
A	TYR315
A	ASP319
A	ARG366
A	TYR374
A	GLN375
A	MG705
A	HOH813
A	HOH832
A	HOH836
A	HOH837
A	HOH838
A	HOH839

site_id	AC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE TTP A 703

Chain	Residue
A	ARG333
A	ARG352
A	LYS354
A	ASN358
A	LYS523
B	VAL117
B	ASN119
B	MG703
C	VAL156
C	PHE157
C	ARG372
C	HIS376
C	LYS377
C	DGT703

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG A 704

Chain	Residue
B	TTP702
D	DGT702

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG A 705

Chain	Residue
A	ASP309
A	LYS312
A	TTP702

site_id	AC6
Number of Residues	20
Details	BINDING SITE FOR RESIDUE TTP 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	MG704
B	HOH803
B	HOH824
B	HOH844
B	HOH855
B	HOH857

site_id	AC7
Number of Residues	16
Details	BINDING SITE FOR RESIDUE TTP B 702

Chain	Residue
A	VAL117
A	ASN119
A	MG704
B	ARG333
B	ARG352
B	LYS354
B	ASN358
B	LYS523
D	VAL156
D	PHE157
D	ILE325
D	ARG372
D	HIS376
D	LYS377
D	DGT702
D	HOH840

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG B 703

Chain	Residue
A	TTP703
B	LYS116
C	DGT703

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG B 704

Chain	Residue
B	TTP701
B	HOH803

site_id	BC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE TTP C 701

Chain	Residue
A	HIS376
A	LYS377
A	DGT701
C	ARG333
C	PHE337
C	ARG352
C	LYS354
C	ASN358
C	LYS523
D	VAL117
D	ASN119
D	MG706
A	VAL156
A	PHE157
A	ILE325
A	ARG372

site_id	BC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE DGT C 702

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	MG705
C	HOH817
C	HOH844
D	LYS523
D	TTP701
D	HOH867

site_id	BC3
Number of Residues	17
Details	BINDING SITE FOR RESIDUE DGT C 703

Chain	Residue
A	LYS523
A	TTP703
B	LYS116
B	VAL117
B	ASP137
B	GLN142
B	ARG145
B	PHE165
B	MG703
C	TYR155
C	VAL156
C	VAL378
C	ARG451
C	LYS455
C	HOH832
C	HOH845
C	HOH852

site_id	BC4
Number of Residues	19
Details	BINDING SITE FOR RESIDUE TTP C 704

Chain	Residue
C	GLN149
C	ARG164
C	ARG206
C	HIS210
C	HIS215
C	HIS233
C	ASP311
C	LYS312
C	TYR315
C	ASP319
C	ARG366
C	TYR374
C	GLN375
C	MG706
C	HOH818
C	HOH820
C	HOH833
C	HOH841
C	HOH847

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG C 705

Chain	Residue
C	DGT702
D	TTP701
D	HOH867

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG C 706

Chain	Residue
C	LYS312
C	TTP704
C	HOH847

site_id	BC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE TTP D 701

Chain	Residue
B	VAL156
B	PHE157
B	ARG372
B	HIS376
B	LYS377
B	VAL378
C	VAL117
C	ASN119
C	DGT702
C	MG705
D	ARG333
D	PHE337
D	ARG352
D	LYS354
D	ASN358
D	LYS523
D	HOH865
D	HOH867

site_id	BC8
Number of Residues	18
Details	BINDING SITE FOR RESIDUE DGT D 702

Chain	Residue
A	LYS116
A	VAL117
A	ILE118
A	ASP137
A	GLN142
A	ARG145
A	PHE165
A	MG704
B	LYS523
B	TTP702
D	TYR155
D	VAL156
D	VAL378
D	ARG451
D	LYS455
D	HOH802
D	HOH818
D	HOH849

site_id	BC9
Number of Residues	21
Details	BINDING SITE FOR RESIDUE TTP D 703

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	MG704
D	HOH815
D	HOH817
D	HOH830
D	HOH855
D	HOH864
D	HOH873

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG D 704

Chain	Residue
D	TTP703
D	HOH857
D	HOH864

site_id	CC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG D 705

Chain	Residue
D	LYS405

site_id	CC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG D 706

Chain	Residue
A	DGT701
C	TTP701
D	LYS116

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)