Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4BZB

Crystal structure of the tetrameric dGTP-bound SAMHD1 mutant catalytic core

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	BINDING SITE FOR RESIDUE DGT A 700

Chain	Residue
A	GLN149
A	ASP319
A	ARG366
A	TYR374
A	GLN375
A	MG750
A	HOH2030
A	HOH2052
A	HOH2053
A	HOH2057
A	HOH2061
A	LEU150
A	HOH2065
A	HOH2087
A	HOH2220
A	HOH2221
A	HOH2222
A	HOH2223
A	ARG164
A	ARG206
A	HIS210
A	HIS215
A	HIS233
A	LYS312
A	TYR315

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 750

Chain	Residue
A	DGT700
A	HOH2052
A	HOH2053
A	HOH2084
A	HOH2222

site_id	AC3
Number of Residues	23
Details	BINDING SITE FOR RESIDUE DGT A 800

Chain	Residue
A	VAL156
A	PHE157
A	ILE325
A	ARG372
A	HIS376
A	LYS377
A	MG850
A	DGT900
A	HOH2136
A	HOH2139
A	HOH2224
A	HOH2225
A	HOH2226
C	ASP330
C	ARG333
C	PHE337
C	ARG352
C	LYS354
C	ASN358
C	LYS523
D	VAL117
D	ILE118
D	ASN119

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A 850

Chain	Residue
A	DGT800
A	DGT900
A	HOH2226
D	LYS116

site_id	AC5
Number of Residues	20
Details	BINDING SITE FOR RESIDUE DGT A 900

Chain	Residue
A	TYR155
A	VAL156
A	VAL378
A	ARG451
A	LYS455
A	DGT800
A	MG850
A	HOH2181
A	HOH2182
A	HOH2226
A	HOH2227
A	HOH2228
C	LYS523
D	LYS116
D	VAL117
D	ILE118
D	ASP137
D	GLN142
D	ARG145
D	PHE165

site_id	AC6
Number of Residues	28
Details	BINDING SITE FOR RESIDUE DGT B 700

Chain	Residue
B	HOH2101
B	HOH2160
B	HOH2259
B	HOH2260
B	HOH2261
B	HOH2262
B	GLN149
B	LEU150
B	ARG164
B	ARG206
B	HIS210
B	HIS215
B	HIS233
B	LYS312
B	TYR315
B	ASP319
B	ARG366
B	TYR374
B	GLN375
B	MG750
B	HOH2026
B	HOH2032
B	HOH2052
B	HOH2053
B	HOH2057
B	HOH2058
B	HOH2063
B	HOH2074

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 750

Chain	Residue
B	DGT700
B	HOH2052
B	HOH2053
B	HOH2098
B	HOH2261

site_id	AC8
Number of Residues	24
Details	BINDING SITE FOR RESIDUE DGT B 800

Chain	Residue
B	VAL156
B	PHE157
B	ILE325
B	ARG372
B	HIS376
B	LYS377
B	MG850
B	DGT900
B	HOH2153
B	HOH2157
B	HOH2263
B	HOH2264
B	HOH2265
B	HOH2267
C	VAL117
C	ASN119
C	HIS125
D	ASP330
D	ARG333
D	PHE337
D	ARG352
D	LYS354
D	ASN358
D	LYS523

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG B 850

Chain	Residue
B	DGT800
B	DGT900
B	HOH2265

site_id	BC1
Number of Residues	23
Details	BINDING SITE FOR RESIDUE DGT B 900

Chain	Residue
B	TYR155
B	VAL156
B	VAL378
B	ARG451
B	LYS455
B	DGT800
B	MG850
B	HOH2199
B	HOH2200
B	HOH2265
B	HOH2266
B	HOH2268
B	HOH2269
B	HOH2270
B	HOH2271
C	LYS116
C	VAL117
C	ILE118
C	ASP137
C	GLN142
C	ARG145
C	PHE165
D	LYS523

site_id	BC2
Number of Residues	24
Details	BINDING SITE FOR RESIDUE DGT C 700

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	TYR374
C	GLN375
C	MG750
C	HOH2024
C	HOH2045
C	HOH2046
C	HOH2050
C	HOH2053
C	HOH2068
C	HOH2070
C	HOH2152
C	HOH2153

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG C 750

Chain	Residue
C	DGT700
C	HOH2045
C	HOH2046
C	HOH2068
C	HOH2152

site_id	BC4
Number of Residues	23
Details	BINDING SITE FOR RESIDUE DGT C 800

Chain	Residue
A	ASP330
A	ARG333
A	PHE337
A	ARG352
A	LYS354
A	ASN358
A	LYS523
A	HOH2121
A	HOH2123
B	VAL117
B	ASN119
B	HOH2003
C	VAL156
C	PHE157
C	ARG372
C	HIS376
C	LYS377
C	MG850
C	DGT900
C	HOH2100
C	HOH2103
C	HOH2154
C	HOH2155

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG C 850

Chain	Residue
B	HOH2003
C	DGT800
C	DGT900

site_id	BC6
Number of Residues	22
Details	BINDING SITE FOR RESIDUE DGT C 900

Chain	Residue
A	LYS523
B	LYS116
B	VAL117
B	ILE118
B	ASP137
B	GLN142
B	ARG145
B	PHE165
B	HOH2003
B	HOH2004
C	TYR155
C	VAL156
C	VAL378
C	ARG451
C	LYS455
C	DGT800
C	MG850
C	HOH2125
C	HOH2128
C	HOH2129
C	HOH2131
C	HOH2156

site_id	BC7
Number of Residues	30
Details	BINDING SITE FOR RESIDUE DGT D 700

Chain	Residue
D	GLN149
D	LEU150
D	ARG164
D	ARG206
D	HIS210
D	HIS215
D	HIS233
D	LYS312
D	TYR315
D	ASP319
D	ARG366
D	TYR374
D	GLN375
D	MG750
D	HOH2022
D	HOH2025
D	HOH2026
D	HOH2049
D	HOH2050
D	HOH2054
D	HOH2055
D	HOH2060
D	HOH2064
D	HOH2087
D	HOH2090
D	HOH2134
D	HOH2214
D	HOH2215
D	HOH2217
D	HOH2218

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG D 750

Chain	Residue
D	DGT700
D	HOH2049
D	HOH2050
D	HOH2087
D	HOH2217

site_id	BC9
Number of Residues	24
Details	BINDING SITE FOR RESIDUE DGT D 800

Chain	Residue
A	VAL117
A	ILE118
A	ASN119
A	HOH2004
B	ASP330
B	ARG333
B	PHE337
B	ARG352
B	LYS354
B	ASN358
B	LYS523
B	HOH2135
B	HOH2139
D	VAL156
D	PHE157
D	ARG372
D	HIS376
D	LYS377
D	MG850
D	DGT900
D	HOH2127
D	HOH2132
D	HOH2219
D	HOH2220

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG D 850

Chain	Residue
A	HOH2004
D	DGT800
D	DGT900

site_id	CC2
Number of Residues	23
Details	BINDING SITE FOR RESIDUE DGT D 900

Chain	Residue
A	LYS116
A	VAL117
A	ILE118
A	ASP137
A	GLN142
A	ARG145
A	PHE165
A	HOH2004
A	HOH2005
B	LYS523
B	HOH2232
D	TYR155
D	VAL156
D	VAL378
D	ARG451
D	LYS455
D	DGT800
D	MG850
D	HOH2162
D	HOH2163
D	HOH2164
D	HOH2221
D	HOH2222

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)