Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4QG4

Crystal structure of the tetrameric GTP/dATP/ATP-bound SAMHD1 (H210A) mutant catalytic core

Functional Information from PDB Data

site_id	AC1
Number of Residues	17
Details	BINDING SITE FOR RESIDUE GTP A 701

Chain	Residue
A	TYR155
D	VAL117
D	ILE118
D	ASP137
D	GLN142
D	ARG145
D	PHE165
D	MG702
D	HOH816
A	VAL156
A	VAL378
A	ARG451
A	LYS455
A	HOH857
C	LYS523
C	DTP701
D	LYS116

site_id	AC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE DTP A 702

Chain	Residue
A	ARG333
A	PHE337
A	ARG352
A	LYS354
A	ASN358
A	LYS523
A	HOH830
B	VAL117
B	ASN119
B	GTP702
B	MG704
C	VAL156
C	PHE157
C	ARG372
C	HIS376
C	LYS377
C	VAL378

site_id	AC3
Number of Residues	20
Details	BINDING SITE FOR RESIDUE GTP A 703

Chain	Residue
A	LYS116
A	VAL117
A	ILE118
A	ASP137
A	GLN142
A	ARG145
A	PHE165
A	MG704
A	HOH804
A	HOH832
A	HOH873
B	LYS523
B	DTP703
B	HOH906
D	TYR155
D	VAL156
D	VAL378
D	ARG451
D	LYS455
D	HOH875

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

Chain	Residue
A	GTP703
B	DTP703

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN A 705

Chain	Residue
A	HIS167
A	HIS206
A	ASP207
A	ASP311
A	HOH898

site_id	AC6
Number of Residues	21
Details	BINDING SITE FOR RESIDUE GTP B 701

Chain	Residue
B	TYR155
B	VAL156
B	VAL378
B	ARG451
B	LYS455
B	HOH824
B	HOH922
B	HOH933
B	HOH963
C	LYS116
C	VAL117
C	ILE118
C	ILE136
C	ASP137
C	GLN142
C	ARG145
C	PHE165
C	MG702
C	HOH822
D	LYS523
D	DTP701

site_id	AC7
Number of Residues	20
Details	BINDING SITE FOR RESIDUE GTP B 702

Chain	Residue
C	VAL378
C	ARG451
C	LYS455
A	LYS523
A	DTP702
B	LYS116
B	VAL117
B	ILE118
B	ASP137
B	GLN142
B	ARG145
B	PHE165
B	MG704
B	HOH826
B	HOH873
B	HOH938
B	HOH943
B	HOH944
C	TYR155
C	VAL156

site_id	AC8
Number of Residues	20
Details	BINDING SITE FOR RESIDUE DTP B 703

Chain	Residue
A	VAL117
A	ASN119
A	GTP703
A	MG704
B	ARG333
B	PHE337
B	ARG352
B	LYS354
B	ASN358
B	LYS523
B	HOH829
B	HOH840
B	HOH855
B	HOH868
B	HOH879
D	VAL156
D	PHE157
D	ARG372
D	HIS376
D	LYS377

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG B 704

Chain	Residue
A	DTP702
B	LYS116
B	GTP702

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 705

Chain	Residue
B	HIS167
B	HIS206
B	ASP207
B	ASP311

site_id	BC2
Number of Residues	20
Details	BINDING SITE FOR RESIDUE DTP C 701

Chain	Residue
A	VAL156
A	PHE157
A	ILE325
A	ARG372
A	HIS376
A	LYS377
A	VAL378
A	GTP701
C	ARG333
C	PHE337
C	ARG352
C	LYS354
C	ASN358
C	LYS523
C	HOH813
C	HOH825
C	HOH904
D	VAL117
D	ASN119
D	MG702

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG C 702

Chain	Residue
B	GTP701
B	HOH922
C	LYS116
C	HOH822
D	DTP701

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN C 703

Chain	Residue
C	HIS167
C	HIS206
C	ASP207
C	ASP311
C	HOH884

site_id	BC5
Number of Residues	22
Details	BINDING SITE FOR RESIDUE DTP D 701

Chain	Residue
B	VAL156
B	PHE157
B	ARG372
B	HIS376
B	LYS377
B	VAL378
B	GTP701
B	HOH922
B	HOH929
C	VAL117
C	ILE118
C	ASN119
C	MG702
D	ARG333
D	PHE337
D	ARG352
D	LYS354
D	ASN358
D	LYS523
D	HOH827
D	HOH852
D	HOH892

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG D 702

Chain	Residue
A	GTP701
C	DTP701
D	LYS116
D	HOH816

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 703

Chain	Residue
D	HIS167
D	HIS206
D	ASP207
D	ASP311

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)