Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6TXE

Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dTMPNPP and Mg

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue FE A 701

Chain	Residue
A	ARG164
A	HIS167
A	HIS206
A	ASP207
A	ASP311
A	1FZ704

site_id	AC2
Number of Residues	3
Details	binding site for residue MG A 702

Chain	Residue
A	ASP309
A	LYS312
A	1FZ704

site_id	AC3
Number of Residues	3
Details	binding site for residue MG A 703

Chain	Residue
A	LYS116
A	GTP705
C	DTP701

site_id	AC4
Number of Residues	17
Details	binding site for residue 1FZ A 704

Chain	Residue
A	GLN149
A	LEU150
A	ARG164
A	HIS167
A	ASP207
A	HIS210
A	HIS215
A	HIS233
A	ASP311
A	LYS312
A	TYR315
A	ASP319
A	ARG366
A	TYR374
A	GLN375
A	FE701
A	MG702

site_id	AC5
Number of Residues	16
Details	binding site for residue GTP A 705

Chain	Residue
A	LYS116
A	VAL117
A	ILE118
A	ILE136
A	ASP137
A	GLN142
A	ARG145
A	PHE165
A	MG703
B	TYR155
B	VAL156
B	VAL378
B	ARG451
B	LYS455
C	LYS523
C	DTP701

site_id	AC6
Number of Residues	16
Details	binding site for residue DTP A 706

Chain	Residue
A	ARG333
A	ARG352
A	LYS354
A	ASN358
A	LYS523
C	VAL117
C	ILE118
C	ASN119
C	MG704
D	VAL156
D	PHE157
D	ARG372
D	HIS376
D	LYS377
D	VAL378
D	GTP702

site_id	AC7
Number of Residues	6
Details	binding site for residue FE B 701

Chain	Residue
B	ARG164
B	HIS167
B	HIS206
B	ASP207
B	ASP311
B	1FZ704

site_id	AC8
Number of Residues	3
Details	binding site for residue MG B 702

Chain	Residue
B	ASP309
B	LYS312
B	1FZ704

site_id	AC9
Number of Residues	2
Details	binding site for residue MG B 703

Chain	Residue
B	GTP705
D	DTP701

site_id	AD1
Number of Residues	17
Details	binding site for residue 1FZ B 704

Chain	Residue
B	GLN149
B	LEU150
B	ARG164
B	HIS167
B	ASP207
B	HIS210
B	HIS215
B	HIS233
B	ASP311
B	LYS312
B	TYR315
B	ASP319
B	ARG366
B	TYR374
B	GLN375
B	FE701
B	MG702

site_id	AD2
Number of Residues	14
Details	binding site for residue GTP B 705

Chain	Residue
B	PHE165
B	MG703
D	LYS523
D	DTP701
A	TYR155
A	VAL156
A	VAL378
A	ARG451
B	LYS116
B	VAL117
B	ILE118
B	ASP137
B	GLN142
B	ARG145

site_id	AD3
Number of Residues	4
Details	binding site for residue SO4 B 706

Chain	Residue
B	ARG305
B	ARG348
B	HIS517
B	ARG531

site_id	AD4
Number of Residues	14
Details	binding site for residue DTP B 707

Chain	Residue
B	ARG333
B	ARG352
B	LYS354
B	ASN358
B	LYS523
C	VAL156
C	PHE157
C	ARG372
C	HIS376
C	LYS377
D	VAL117
D	ASN119
D	MG705
D	GTP707

site_id	AD5
Number of Residues	15
Details	binding site for residue DTP C 701

Chain	Residue
A	VAL117
A	ILE118
A	ASN119
A	MG703
A	GTP705
B	VAL156
B	PHE157
B	ARG372
B	HIS376
B	LYS377
C	ARG333
C	ARG352
C	LYS354
C	ASN358
C	LYS523

site_id	AD6
Number of Residues	6
Details	binding site for residue FE C 702

Chain	Residue
C	ARG164
C	HIS167
C	HIS206
C	ASP207
C	ASP311
C	1FZ705

site_id	AD7
Number of Residues	3
Details	binding site for residue MG C 703

Chain	Residue
C	ASP309
C	LYS312
C	1FZ705

site_id	AD8
Number of Residues	2
Details	binding site for residue MG C 704

Chain	Residue
A	DTP706
D	GTP702

site_id	AD9
Number of Residues	18
Details	binding site for residue 1FZ C 705

Chain	Residue
C	GLN149
C	LEU150
C	ARG164
C	HIS167
C	ASP207
C	HIS210
C	HIS215
C	HIS233
C	ASP311
C	LYS312
C	TYR315
C	ASP319
C	ARG366
C	TYR374
C	GLN375
C	ASP383
C	FE702
C	MG703

site_id	AE1
Number of Residues	4
Details	binding site for residue SO4 C 706

Chain	Residue
C	ARG305
C	ARG348
C	HIS517
C	ARG531

site_id	AE2
Number of Residues	14
Details	binding site for residue DTP D 701

Chain	Residue
A	VAL156
A	PHE157
A	ARG372
A	HIS376
A	LYS377
B	VAL117
B	ASN119
B	MG703
B	GTP705
D	ARG333
D	ARG352
D	LYS354
D	ASN358
D	LYS523

site_id	AE3
Number of Residues	14
Details	binding site for residue GTP D 702

Chain	Residue
A	LYS523
A	DTP706
C	LYS116
C	VAL117
C	ILE118
C	ASP137
C	GLN142
C	ARG145
C	PHE165
C	MG704
D	TYR155
D	VAL156
D	VAL378
D	ARG451

site_id	AE4
Number of Residues	6
Details	binding site for residue FE D 703

Chain	Residue
D	ARG164
D	HIS167
D	HIS206
D	ASP207
D	ASP311
D	1FZ706

site_id	AE5
Number of Residues	3
Details	binding site for residue MG D 704

Chain	Residue
D	ASP309
D	LYS312
D	1FZ706

site_id	AE6
Number of Residues	2
Details	binding site for residue MG D 705

Chain	Residue
B	DTP707
D	GTP707

site_id	AE7
Number of Residues	17
Details	binding site for residue 1FZ D 706

Chain	Residue
D	GLN149
D	LEU150
D	ARG164
D	HIS167
D	ASP207
D	HIS210
D	HIS215
D	HIS233
D	ASP311
D	LYS312
D	TYR315
D	ASP319
D	ARG366
D	TYR374
D	GLN375
D	FE703
D	MG704

site_id	AE8
Number of Residues	15
Details	binding site for residue GTP D 707

Chain	Residue
B	LYS523
B	DTP707
C	TYR155
C	VAL156
C	VAL378
C	ARG451
D	LYS116
D	VAL117
D	ILE118
D	ILE136
D	ASP137
D	GLN142
D	ARG145
D	PHE165
D	MG705

site_id	AE9
Number of Residues	4
Details	binding site for residue SO4 D 708

Chain	Residue
D	ARG305
D	ARG348
D	HIS517
D	ARG531

site_id	AF1
Number of Residues	6
Details	binding site for residue FE E 701

Chain	Residue
E	ARG164
E	HIS167
E	HIS206
E	ASP207
E	ASP311
E	1FZ704

site_id	AF2
Number of Residues	3
Details	binding site for residue MG E 702

Chain	Residue
E	SER302
E	ASP309
E	1FZ704

site_id	AF3
Number of Residues	2
Details	binding site for residue MG E 703

Chain	Residue
E	GTP705
G	DTP701

site_id	AF4
Number of Residues	18
Details	binding site for residue 1FZ E 704

Chain	Residue
E	GLN149
E	LEU150
E	ARG164
E	HIS167
E	ASP207
E	HIS210
E	HIS215
E	HIS233
E	ASP311
E	LYS312
E	TYR315
E	ASP319
E	ARG366
E	TYR374
E	GLN375
E	ASP383
E	FE701
E	MG702

site_id	AF5
Number of Residues	15
Details	binding site for residue GTP E 705

Chain	Residue
E	LYS116
E	VAL117
E	ILE118
E	ILE136
E	ASP137
E	GLN142
E	ARG145
E	PHE165
E	MG703
F	TYR155
F	VAL156
F	VAL378
F	ARG451
G	LYS523
G	DTP701

site_id	AF6
Number of Residues	4
Details	binding site for residue SO4 E 706

Chain	Residue
E	ARG305
E	ARG348
E	HIS517
E	ARG531

site_id	AF7
Number of Residues	16
Details	binding site for residue DTP E 707

Chain	Residue
E	ARG333
E	ARG352
E	LYS354
E	ASN358
E	LYS523
G	VAL117
G	ILE118
G	ASN119
G	MG704
G	GTP706
H	VAL156
H	PHE157
H	ILE325
H	ARG372
H	HIS376
H	LYS377

site_id	AF8
Number of Residues	6
Details	binding site for residue FE F 701

Chain	Residue
F	ARG164
F	HIS167
F	HIS206
F	ASP207
F	ASP311
F	1FZ704

site_id	AF9
Number of Residues	3
Details	binding site for residue MG F 702

Chain	Residue
F	ASP309
F	LYS312
F	1FZ704

site_id	AG1
Number of Residues	2
Details	binding site for residue MG F 703

Chain	Residue
F	GTP705
H	DTP701

site_id	AG2
Number of Residues	18
Details	binding site for residue 1FZ F 704

Chain	Residue
F	GLN149
F	LEU150
F	ARG164
F	HIS167
F	ASP207
F	HIS210
F	HIS215
F	HIS233
F	ASP311
F	LYS312
F	TYR315
F	ASP319
F	ARG366
F	TYR374
F	GLN375
F	ASP383
F	FE701
F	MG702

site_id	AG3
Number of Residues	15
Details	binding site for residue GTP F 705

Chain	Residue
E	TYR155
E	VAL156
E	ARG451
E	LYS455
F	LYS116
F	VAL117
F	ILE118
F	ILE136
F	ASP137
F	GLN142
F	ARG145
F	PHE165
F	MG703
H	LYS523
H	DTP701

site_id	AG4
Number of Residues	4
Details	binding site for residue SO4 F 706

Chain	Residue
F	ARG305
F	ARG348
F	HIS517
F	ARG531

site_id	AG5
Number of Residues	14
Details	binding site for residue DTP F 707

Chain	Residue
F	ARG333
F	ARG352
F	LYS354
F	ASN358
F	LYS523
G	VAL156
G	PHE157
G	ARG372
G	HIS376
G	LYS377
H	VAL117
H	ASN119
H	MG704
H	GTP706

site_id	AG6
Number of Residues	15
Details	binding site for residue DTP G 701

Chain	Residue
E	VAL117
E	ASN119
E	HIS125
E	MG703
E	GTP705
F	VAL156
F	PHE157
F	ARG372
F	HIS376
F	LYS377
G	ARG333
G	ARG352
G	LYS354
G	ASN358
G	LYS523

site_id	AG7
Number of Residues	6
Details	binding site for residue FE G 702

Chain	Residue
G	ARG164
G	HIS167
G	HIS206
G	ASP207
G	ASP311
G	1FZ705

site_id	AG8
Number of Residues	3
Details	binding site for residue MG G 703

Chain	Residue
G	ASP309
G	LYS312
G	1FZ705

site_id	AG9
Number of Residues	2
Details	binding site for residue MG G 704

Chain	Residue
E	DTP707
G	GTP706

site_id	AH1
Number of Residues	18
Details	binding site for residue 1FZ G 705

Chain	Residue
G	GLN149
G	LEU150
G	ARG164
G	HIS167
G	ASP207
G	HIS210
G	HIS215
G	HIS233
G	ASP311
G	LYS312
G	TYR315
G	ASP319
G	ARG366
G	HIS370
G	TYR374
G	GLN375
G	FE702
G	MG703

site_id	AH2
Number of Residues	15
Details	binding site for residue GTP G 706

Chain	Residue
E	LYS523
E	DTP707
G	LYS116
G	VAL117
G	ILE118
G	ILE136
G	ASP137
G	GLN142
G	ARG145
G	PHE165
G	MG704
H	TYR155
H	VAL156
H	VAL378
H	ARG451

site_id	AH3
Number of Residues	16
Details	binding site for residue DTP H 701

Chain	Residue
E	VAL156
E	PHE157
E	ARG372
E	HIS376
E	LYS377
F	VAL117
F	ILE118
F	ASN119
F	HIS125
F	MG703
F	GTP705
H	ARG333
H	ARG352
H	LYS354
H	ASN358
H	LYS523

site_id	AH4
Number of Residues	6
Details	binding site for residue FE H 702

Chain	Residue
H	ARG164
H	HIS167
H	HIS206
H	ASP207
H	ASP311
H	1FZ705

site_id	AH5
Number of Residues	2
Details	binding site for residue MG H 703

Chain	Residue
H	ASP309
H	1FZ705

site_id	AH6
Number of Residues	3
Details	binding site for residue MG H 704

Chain	Residue
F	DTP707
H	LYS116
H	GTP706

site_id	AH7
Number of Residues	17
Details	binding site for residue 1FZ H 705

Chain	Residue
H	GLN149
H	LEU150
H	ARG164
H	HIS167
H	ASP207
H	HIS210
H	HIS215
H	HIS233
H	ASP311
H	LYS312
H	TYR315
H	ASP319
H	ARG366
H	TYR374
H	GLN375
H	FE702
H	MG703

site_id	AH8
Number of Residues	15
Details	binding site for residue GTP H 706

Chain	Residue
F	LYS523
F	DTP707
G	TYR155
G	VAL156
G	VAL378
G	ARG451
H	LYS116
H	VAL117
H	ILE118
H	ILE136
H	ASP137
H	GLN142
H	ARG145
H	PHE165
H	MG704

site_id	AH9
Number of Residues	4
Details	binding site for residue SO4 H 707

Chain	Residue
H	ARG305
H	ARG348
H	HIS517
H	ARG531

site_id	AI1
Number of Residues	6
Details	binding site for residue FE I 701

Chain	Residue
I	ARG164
I	HIS167
I	HIS206
I	ASP207
I	ASP311
I	1FZ704

site_id	AI2
Number of Residues	2
Details	binding site for residue MG I 702

Chain	Residue
I	ASP309
I	1FZ704

site_id	AI3
Number of Residues	2
Details	binding site for residue MG I 703

Chain	Residue
I	GTP705
K	DTP701

site_id	AI4
Number of Residues	19
Details	binding site for residue 1FZ I 704

Chain	Residue
I	GLN149
I	LEU150
I	ARG164
I	HIS167
I	ASP207
I	HIS210
I	HIS215
I	HIS233
I	ASP311
I	LYS312
I	TYR315
I	ASP319
I	ARG366
I	HIS370
I	TYR374
I	GLN375
I	ASP383
I	FE701
I	MG702

site_id	AI5
Number of Residues	15
Details	binding site for residue GTP I 705

Chain	Residue
I	LYS116
I	VAL117
I	ILE118
I	ILE136
I	ASP137
I	GLN142
I	ARG145
I	PHE165
I	MG703
J	TYR155
J	VAL156
J	VAL378
J	ARG451
K	LYS523
K	DTP701

site_id	AI6
Number of Residues	3
Details	binding site for residue SO4 I 706

Chain	Residue
I	ARG305
I	HIS517
I	ARG531

site_id	AI7
Number of Residues	14
Details	binding site for residue GTP I 707

Chain	Residue
I	TYR155
I	VAL156
I	VAL378
I	ARG451
J	LYS116
J	VAL117
J	ILE118
J	ASP137
J	GLN142
J	ARG145
J	PHE165
J	MG703
L	LYS523
L	DTP701

site_id	AI8
Number of Residues	16
Details	binding site for residue DTP I 708

Chain	Residue
I	ARG333
I	ARG352
I	LYS354
I	ASN358
I	LYS523
K	VAL117
K	ILE118
K	ASN119
K	HIS125
K	MG704
K	GTP706
L	VAL156
L	PHE157
L	ARG372
L	HIS376
L	LYS377

site_id	AI9
Number of Residues	6
Details	binding site for residue FE J 701

Chain	Residue
J	ARG164
J	HIS167
J	HIS206
J	ASP207
J	ASP311
J	1FZ704

site_id	AJ1
Number of Residues	4
Details	binding site for residue MG J 702

Chain	Residue
J	ASP309
J	ASP311
J	LYS312
J	1FZ704

site_id	AJ2
Number of Residues	3
Details	binding site for residue MG J 703

Chain	Residue
I	GTP707
J	LYS116
L	DTP701

site_id	AJ3
Number of Residues	17
Details	binding site for residue 1FZ J 704

Chain	Residue
J	GLN149
J	LEU150
J	ARG164
J	HIS167
J	ASP207
J	HIS210
J	HIS215
J	HIS233
J	ASP311
J	LYS312
J	TYR315
J	ASP319
J	ARG366
J	TYR374
J	GLN375
J	FE701
J	MG702

site_id	AJ4
Number of Residues	4
Details	binding site for residue SO4 J 705

Chain	Residue
J	ARG305
J	ARG348
J	HIS517
J	ARG531

site_id	AJ5
Number of Residues	16
Details	binding site for residue DTP J 706

Chain	Residue
J	ARG333
J	ARG352
J	LYS354
J	ASN358
J	LYS523
K	VAL156
K	PHE157
K	ARG372
K	HIS376
K	LYS377
L	VAL117
L	ILE118
L	ASN119
L	HIS125
L	MG704
L	GTP706

site_id	AJ6
Number of Residues	14
Details	binding site for residue DTP K 701

Chain	Residue
I	VAL117
I	ASN119
I	MG703
I	GTP705
J	VAL156
J	PHE157
J	ARG372
J	HIS376
J	LYS377
K	ARG333
K	ARG352
K	LYS354
K	ASN358
K	LYS523

site_id	AJ7
Number of Residues	6
Details	binding site for residue FE K 702

Chain	Residue
K	ARG164
K	HIS167
K	HIS206
K	ASP207
K	ASP311
K	1FZ705

site_id	AJ8
Number of Residues	3
Details	binding site for residue MG K 703

Chain	Residue
K	ASP309
K	ASP311
K	1FZ705

site_id	AJ9
Number of Residues	3
Details	binding site for residue MG K 704

Chain	Residue
I	DTP708
K	LYS116
K	GTP706

site_id	AK1
Number of Residues	17
Details	binding site for residue 1FZ K 705

Chain	Residue
K	GLN149
K	LEU150
K	ARG164
K	HIS167
K	ASP207
K	HIS215
K	HIS233
K	ASP311
K	LYS312
K	TYR315
K	ASP319
K	ARG366
K	TYR374
K	GLN375
K	ASP383
K	FE702
K	MG703

site_id	AK2
Number of Residues	15
Details	binding site for residue GTP K 706

Chain	Residue
I	LYS523
I	DTP708
K	LYS116
K	VAL117
K	ILE118
K	ILE136
K	ASP137
K	GLN142
K	ARG145
K	PHE165
K	MG704
L	TYR155
L	VAL156
L	VAL378
L	ARG451

site_id	AK3
Number of Residues	4
Details	binding site for residue SO4 K 707

Chain	Residue
K	ARG305
K	ARG348
K	HIS517
K	ARG531

site_id	AK4
Number of Residues	15
Details	binding site for residue DTP L 701

Chain	Residue
I	VAL156
I	PHE157
I	ARG372
I	HIS376
I	LYS377
I	VAL378
I	GTP707
J	VAL117
J	ASN119
J	MG703
L	ARG333
L	ARG352
L	LYS354
L	ASN358
L	LYS523

site_id	AK5
Number of Residues	6
Details	binding site for residue FE L 702

Chain	Residue
L	ARG164
L	HIS167
L	HIS206
L	ASP207
L	ASP311
L	1FZ705

site_id	AK6
Number of Residues	2
Details	binding site for residue MG L 703

Chain	Residue
L	ASP309
L	1FZ705

site_id	AK7
Number of Residues	3
Details	binding site for residue MG L 704

Chain	Residue
J	DTP706
L	LYS116
L	GTP706

site_id	AK8
Number of Residues	19
Details	binding site for residue 1FZ L 705

Chain	Residue
L	LEU150
L	ARG164
L	HIS167
L	HIS206
L	ASP207
L	HIS210
L	HIS215
L	HIS233
L	ASP311
L	LYS312
L	TYR315
L	ASP319
L	ARG366
L	HIS370
L	TYR374
L	GLN375
L	ASP383
L	FE702
L	MG703

site_id	AK9
Number of Residues	15
Details	binding site for residue GTP L 706

Chain	Residue
J	LYS523
J	DTP706
K	TYR155
K	VAL156
K	VAL378
K	ARG451
L	LYS116
L	VAL117
L	ILE118
L	ILE136
L	ASP137
L	GLN142
L	ARG145
L	PHE165
L	MG704

site_id	AL1
Number of Residues	6
Details	binding site for residue FE M 701

Chain	Residue
M	ARG164
M	HIS167
M	HIS206
M	ASP207
M	ASP311
M	1FZ704

site_id	AL2
Number of Residues	3
Details	binding site for residue MG M 702

Chain	Residue
M	ASP309
M	LYS312
M	1FZ704

site_id	AL3
Number of Residues	3
Details	binding site for residue MG M 703

Chain	Residue
M	LYS116
M	GTP705
N	DTP701

site_id	AL4
Number of Residues	16
Details	binding site for residue 1FZ M 704

Chain	Residue
M	LEU150
M	ARG164
M	HIS167
M	ASP207
M	HIS210
M	HIS215
M	HIS233
M	ASP311
M	LYS312
M	TYR315
M	ASP319
M	ARG366
M	TYR374
M	ASP383
M	FE701
M	MG702

site_id	AL5
Number of Residues	15
Details	binding site for residue GTP M 705

Chain	Residue
M	LYS116
M	VAL117
M	ILE118
M	ILE136
M	ASP137
M	GLN142
M	ARG145
M	PHE165
M	MG703
N	TYR155
N	VAL156
N	ARG451
N	LYS455
N	DTP701
O	LYS523

site_id	AL6
Number of Residues	15
Details	binding site for residue DTP M 706

Chain	Residue
M	VAL156
M	PHE157
M	ARG372
M	HIS376
M	LYS377
M	VAL378
N	VAL117
N	ASN119
N	MG704
N	GTP706
P	ARG333
P	ARG352
P	LYS354
P	ASN358
P	LYS523

site_id	AL7
Number of Residues	15
Details	binding site for residue DTP M 707

Chain	Residue
M	ARG333
M	ARG352
M	LYS354
M	ASN358
M	LYS523
O	VAL117
O	ASN119
O	HIS125
O	MG703
O	GTP705
P	VAL156
P	PHE157
P	ARG372
P	HIS376
P	LYS377

site_id	AL8
Number of Residues	14
Details	binding site for residue DTP N 701

Chain	Residue
M	VAL117
M	ASN119
M	MG703
M	GTP705
N	VAL156
N	PHE157
N	ARG372
N	HIS376
N	LYS377
O	ARG333
O	ARG352
O	LYS354
O	ASN358
O	LYS523

site_id	AL9
Number of Residues	6
Details	binding site for residue FE N 702

Chain	Residue
N	ARG164
N	HIS167
N	HIS206
N	ASP207
N	ASP311
N	1FZ705

site_id	AM1
Number of Residues	4
Details	binding site for residue MG N 703

Chain	Residue
N	ASP309
N	ASP311
N	LYS312
N	1FZ705

site_id	AM2
Number of Residues	3
Details	binding site for residue MG N 704

Chain	Residue
M	DTP706
N	LYS116
N	GTP706

site_id	AM3
Number of Residues	18
Details	binding site for residue 1FZ N 705

Chain	Residue
N	GLN149
N	LEU150
N	ARG164
N	HIS167
N	ASP207
N	HIS210
N	HIS215
N	HIS233
N	ASP311
N	LYS312
N	TYR315
N	ASP319
N	ARG366
N	TYR374
N	GLN375
N	ASP383
N	FE702
N	MG703

site_id	AM4
Number of Residues	13
Details	binding site for residue GTP N 706

Chain	Residue
M	TYR155
M	VAL156
M	ARG451
M	DTP706
N	LYS116
N	VAL117
N	ILE118
N	ASP137
N	GLN142
N	ARG145
N	PHE165
N	MG704
P	LYS523

site_id	AM5
Number of Residues	2
Details	binding site for residue SO4 N 707

Chain	Residue
N	ARG348
N	HIS517

site_id	AM6
Number of Residues	15
Details	binding site for residue DTP N 708

Chain	Residue
N	ARG333
N	ARG352
N	LYS354
N	ASN358
N	LYS523
O	VAL156
O	PHE157
O	ILE325
O	ARG372
O	HIS376
O	LYS377
P	VAL117
P	ASN119
P	MG703
P	GTP705

site_id	AM7
Number of Residues	6
Details	binding site for residue FE O 701

Chain	Residue
O	ARG164
O	HIS167
O	HIS206
O	ASP207
O	ASP311
O	1FZ704

site_id	AM8
Number of Residues	3
Details	binding site for residue MG O 702

Chain	Residue
O	ASP309
O	LYS312
O	1FZ704

site_id	AM9
Number of Residues	3
Details	binding site for residue MG O 703

Chain	Residue
M	DTP707
O	LYS116
O	GTP705

site_id	AN1
Number of Residues	19
Details	binding site for residue 1FZ O 704

Chain	Residue
O	GLN149
O	LEU150
O	ARG164
O	HIS167
O	ASP207
O	HIS210
O	HIS215
O	HIS233
O	ASP311
O	LYS312
O	TYR315
O	ASP319
O	ARG366
O	HIS370
O	TYR374
O	GLN375
O	ASP383
O	FE701
O	MG702

site_id	AN2
Number of Residues	14
Details	binding site for residue GTP O 705

Chain	Residue
M	LYS523
M	DTP707
O	LYS116
O	VAL117
O	ILE118
O	ILE136
O	ASP137
O	GLN142
O	ARG145
O	PHE165
O	MG703
P	TYR155
P	VAL156
P	ARG451

site_id	AN3
Number of Residues	2
Details	binding site for residue SO4 O 706

Chain	Residue
O	ARG305
O	HIS517

site_id	AN4
Number of Residues	6
Details	binding site for residue FE P 701

Chain	Residue
P	ARG164
P	HIS167
P	HIS206
P	ASP207
P	ASP311
P	1FZ704

site_id	AN5
Number of Residues	3
Details	binding site for residue MG P 702

Chain	Residue
P	SER302
P	ASP309
P	1FZ704

site_id	AN6
Number of Residues	2
Details	binding site for residue MG P 703

Chain	Residue
N	DTP708
P	GTP705

site_id	AN7
Number of Residues	18
Details	binding site for residue 1FZ P 704

Chain	Residue
P	GLN149
P	ARG164
P	HIS167
P	ASP207
P	HIS210
P	HIS215
P	HIS233
P	ASP311
P	LYS312
P	TYR315
P	ASP319
P	ARG366
P	HIS370
P	TYR374
P	GLN375
P	ASP383
P	FE701
P	MG702

site_id	AN8
Number of Residues	15
Details	binding site for residue GTP P 705

Chain	Residue
N	LYS523
N	DTP708
O	TYR155
O	VAL156
O	VAL378
O	ARG451
P	LYS116
P	VAL117
P	ILE118
P	ILE136
P	ASP137
P	GLN142
P	ARG145
P	PHE165
P	MG703

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	ACT_SITE: ACT_SITE => ECO:0000305\|PubMed:22056990

Chain	Residue	Details
A	HIS233
J	HIS233
K	HIS233
L	HIS233
M	HIS233
N	HIS233
O	HIS233
P	HIS233
B	HIS233
C	HIS233
D	HIS233
E	HIS233
F	HIS233
G	HIS233
H	HIS233
I	HIS233

site_id	SWS_FT_FI2
Number of Residues	80
Details	BINDING: in chain B => ECO:0000269\|PubMed:25267621, ECO:0007744\|PDB:4TNP, ECO:0007744\|PDB:4TNQ, ECO:0007744\|PDB:4TNR, ECO:0007744\|PDB:4TNX

Chain	Residue	Details
A	LYS116
B	ARG145
C	LYS116
C	VAL117
C	ASP137
C	GLN142
C	ARG145
D	LYS116
D	VAL117
D	ASP137
D	GLN142
A	VAL117
D	ARG145
E	LYS116
E	VAL117
E	ASP137
E	GLN142
E	ARG145
F	LYS116
F	VAL117
F	ASP137
F	GLN142
A	ASP137
F	ARG145
G	LYS116
G	VAL117
G	ASP137
G	GLN142
G	ARG145
H	LYS116
H	VAL117
H	ASP137
H	GLN142
A	GLN142
H	ARG145
I	LYS116
I	VAL117
I	ASP137
I	GLN142
I	ARG145
J	LYS116
J	VAL117
J	ASP137
J	GLN142
A	ARG145
J	ARG145
K	LYS116
K	VAL117
K	ASP137
K	GLN142
K	ARG145
L	LYS116
L	VAL117
L	ASP137
L	GLN142
B	LYS116
L	ARG145
M	LYS116
M	VAL117
M	ASP137
M	GLN142
M	ARG145
N	LYS116
N	VAL117
N	ASP137
N	GLN142
B	VAL117
N	ARG145
O	LYS116
O	VAL117
O	ASP137
O	GLN142
O	ARG145
P	LYS116
P	VAL117
P	ASP137
P	GLN142
B	ASP137
P	ARG145
B	GLN142

site_id	SWS_FT_FI3
Number of Residues	16
Details	BINDING: in chain B => ECO:0000269\|PubMed:25267621, ECO:0007744\|PDB:4TNQ

Chain	Residue	Details
A	ASN119
J	ASN119
K	ASN119
L	ASN119
M	ASN119
N	ASN119
O	ASN119
P	ASN119
B	ASN119
C	ASN119
D	ASN119
E	ASN119
F	ASN119
G	ASN119
H	ASN119
I	ASN119

site_id	SWS_FT_FI4
Number of Residues	128
Details	BINDING: BINDING => ECO:0000269\|PubMed:25267621, ECO:0007744\|PDB:4TNQ

Chain	Residue	Details
A	GLN149
B	ARG164
M	HIS215
M	LYS312
M	TYR315
M	ASP319
M	GLN375
N	GLN149
N	ARG164
N	HIS210
N	HIS215
N	LYS312
B	HIS210
N	TYR315
N	ASP319
N	GLN375
O	GLN149
O	ARG164
O	HIS210
O	HIS215
O	LYS312
O	TYR315
O	ASP319
B	HIS215
O	GLN375
P	GLN149
P	ARG164
P	HIS210
P	HIS215
P	LYS312
P	TYR315
P	ASP319
P	GLN375
B	LYS312
B	TYR315
B	ASP319
B	GLN375
C	GLN149
C	ARG164
C	HIS210
A	ARG164
C	HIS215
C	LYS312
C	TYR315
C	ASP319
C	GLN375
D	GLN149
D	ARG164
D	HIS210
D	HIS215
D	LYS312
A	HIS210
D	TYR315
D	ASP319
D	GLN375
E	GLN149
E	ARG164
E	HIS210
E	HIS215
E	LYS312
E	TYR315
E	ASP319
A	HIS215
E	GLN375
F	GLN149
F	ARG164
F	HIS210
F	HIS215
F	LYS312
F	TYR315
F	ASP319
F	GLN375
G	GLN149
A	LYS312
G	ARG164
G	HIS210
G	HIS215
G	LYS312
G	TYR315
G	ASP319
G	GLN375
H	GLN149
H	ARG164
H	HIS210
A	TYR315
H	HIS215
H	LYS312
H	TYR315
H	ASP319
H	GLN375
I	GLN149
I	ARG164
I	HIS210
I	HIS215
I	LYS312
A	ASP319
I	TYR315
I	ASP319
I	GLN375
J	GLN149
J	ARG164
J	HIS210
J	HIS215
J	LYS312
J	TYR315
J	ASP319
A	GLN375
J	GLN375
K	GLN149
K	ARG164
K	HIS210
K	HIS215
K	LYS312
K	TYR315
K	ASP319
K	GLN375
L	GLN149
B	GLN149
L	ARG164
L	HIS210
L	HIS215
L	LYS312
L	TYR315
L	ASP319
L	GLN375
M	GLN149
M	ARG164
M	HIS210

site_id	SWS_FT_FI5
Number of Residues	112
Details	BINDING: BINDING => ECO:0000269\|PubMed:24141705, ECO:0007744\|PDB:4BZB

Chain	Residue	Details
A	LEU150
B	HIS206
O	HIS167
O	HIS206
O	ASP207
O	ASP311
O	ARG366
O	TYR374
P	LEU150
P	HIS167
P	HIS206
P	ASP207
B	ASP207
P	ASP311
P	ARG366
P	TYR374
B	ASP311
B	ARG366
B	TYR374
C	LEU150
C	HIS167
C	HIS206
C	ASP207
C	ASP311
A	HIS167
C	ARG366
C	TYR374
D	LEU150
D	HIS167
D	HIS206
D	ASP207
D	ASP311
D	ARG366
D	TYR374
E	LEU150
A	HIS206
E	HIS167
E	HIS206
E	ASP207
E	ASP311
E	ARG366
E	TYR374
F	LEU150
F	HIS167
F	HIS206
F	ASP207
A	ASP207
F	ASP311
F	ARG366
F	TYR374
G	LEU150
G	HIS167
G	HIS206
G	ASP207
G	ASP311
G	ARG366
G	TYR374
A	ASP311
H	LEU150
H	HIS167
H	HIS206
H	ASP207
H	ASP311
H	ARG366
H	TYR374
I	LEU150
I	HIS167
I	HIS206
A	ARG366
I	ASP207
I	ASP311
I	ARG366
I	TYR374
J	LEU150
J	HIS167
J	HIS206
J	ASP207
J	ASP311
J	ARG366
A	TYR374
J	TYR374
K	LEU150
K	HIS167
K	HIS206
K	ASP207
K	ASP311
K	ARG366
K	TYR374
L	LEU150
L	HIS167
B	LEU150
L	HIS206
L	ASP207
L	ASP311
L	ARG366
L	TYR374
M	LEU150
M	HIS167
M	HIS206
M	ASP207
M	ASP311
B	HIS167
M	ARG366
M	TYR374
N	LEU150
N	HIS167
N	HIS206
N	ASP207
N	ASP311
N	ARG366
N	TYR374
O	LEU150

site_id	SWS_FT_FI6
Number of Residues	64
Details	BINDING: in chain C => ECO:0000269\|PubMed:25267621, ECO:0007744\|PDB:4TNQ

Chain	Residue	Details
A	VAL156
C	ARG372
C	HIS376
C	LYS377
D	VAL156
D	ARG372
D	HIS376
D	LYS377
E	VAL156
E	ARG372
E	HIS376
A	ARG372
E	LYS377
F	VAL156
F	ARG372
F	HIS376
F	LYS377
G	VAL156
G	ARG372
G	HIS376
G	LYS377
H	VAL156
A	HIS376
H	ARG372
H	HIS376
H	LYS377
I	VAL156
I	ARG372
I	HIS376
I	LYS377
J	VAL156
J	ARG372
J	HIS376
A	LYS377
J	LYS377
K	VAL156
K	ARG372
K	HIS376
K	LYS377
L	VAL156
L	ARG372
L	HIS376
L	LYS377
M	VAL156
B	VAL156
M	ARG372
M	HIS376
M	LYS377
N	VAL156
N	ARG372
N	HIS376
N	LYS377
O	VAL156
O	ARG372
O	HIS376
B	ARG372
O	LYS377
P	VAL156
P	ARG372
P	HIS376
P	LYS377
B	HIS376
B	LYS377
C	VAL156

site_id	SWS_FT_FI7
Number of Residues	48
Details	BINDING: in chain A => ECO:0000269\|PubMed:25267621, ECO:0007744\|PDB:4TNQ

Chain	Residue	Details
A	ARG333
D	ARG333
D	ARG352
D	LYS354
E	ARG333
E	ARG352
E	LYS354
F	ARG333
F	ARG352
F	LYS354
G	ARG333
A	ARG352
G	ARG352
G	LYS354
H	ARG333
H	ARG352
H	LYS354
I	ARG333
I	ARG352
I	LYS354
J	ARG333
J	ARG352
A	LYS354
J	LYS354
K	ARG333
K	ARG352
K	LYS354
L	ARG333
L	ARG352
L	LYS354
M	ARG333
M	ARG352
M	LYS354
B	ARG333
N	ARG333
N	ARG352
N	LYS354
O	ARG333
O	ARG352
O	LYS354
P	ARG333
P	ARG352
P	LYS354
B	ARG352
B	LYS354
C	ARG333
C	ARG352
C	LYS354

site_id	SWS_FT_FI8
Number of Residues	16
Details	BINDING: in chain A => ECO:0000269\|PubMed:24141705, ECO:0000269\|PubMed:25267621, ECO:0007744\|PDB:4BZB, ECO:0007744\|PDB:4TNX

Chain	Residue	Details
A	ASN358
J	ASN358
K	ASN358
L	ASN358
M	ASN358
N	ASN358
O	ASN358
P	ASN358
B	ASN358
C	ASN358
D	ASN358
E	ASN358
F	ASN358
G	ASN358
H	ASN358
I	ASN358

site_id	SWS_FT_FI9
Number of Residues	32
Details	BINDING: in chain C => ECO:0000269\|PubMed:25267621, ECO:0007744\|PDB:4TNP, ECO:0007744\|PDB:4TNQ, ECO:0007744\|PDB:4TNR, ECO:0007744\|PDB:4TNX

Chain	Residue	Details
A	ARG451
E	LYS455
F	ARG451
F	LYS455
G	ARG451
G	LYS455
H	ARG451
H	LYS455
I	ARG451
I	LYS455
J	ARG451
A	LYS455
J	LYS455
K	ARG451
K	LYS455
L	ARG451
L	LYS455
M	ARG451
M	LYS455
N	ARG451
N	LYS455
O	ARG451
B	ARG451
O	LYS455
P	ARG451
P	LYS455
B	LYS455
C	ARG451
C	LYS455
D	ARG451
D	LYS455
E	ARG451

site_id	SWS_FT_FI10
Number of Residues	16
Details	BINDING: in chain A => ECO:0000269\|PubMed:25267621, ECO:0007744\|PDB:4TNP, ECO:0007744\|PDB:4TNQ, ECO:0007744\|PDB:4TNR, ECO:0007744\|PDB:4TNX

Chain	Residue	Details
A	LYS523
J	LYS523
K	LYS523
L	LYS523
M	LYS523
N	LYS523
O	LYS523
P	LYS523
B	LYS523
C	LYS523
D	LYS523
E	LYS523
F	LYS523
G	LYS523
H	LYS523
I	LYS523

site_id	SWS_FT_FI11
Number of Residues	16
Details	MOD_RES: Phosphothreonine; by CDK1 => ECO:0000269\|PubMed:23601106, ECO:0000269\|PubMed:23602554, ECO:0000269\|PubMed:26294762, ECO:0000269\|PubMed:26431200, ECO:0000269\|PubMed:29610582, ECO:0000269\|PubMed:29670289, ECO:0007744\|PubMed:17081983, ECO:0007744\|PubMed:18669648, ECO:0007744\|PubMed:18691976, ECO:0007744\|PubMed:19369195, ECO:0007744\|PubMed:20068231, ECO:0007744\|PubMed:23186163, ECO:0007744\|PubMed:24275569

Chain	Residue	Details
A	THR592
J	THR592
K	THR592
L	THR592
M	THR592
N	THR592
O	THR592
P	THR592
B	THR592
C	THR592
D	THR592
E	THR592
F	THR592
G	THR592
H	THR592
I	THR592

site_id	SWS_FT_FI12
Number of Residues	80
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744\|PubMed:28112733

Chain	Residue	Details
A	LYS467
B	LYS622
C	LYS467
C	LYS469
C	LYS492
C	LYS622
D	LYS467
D	LYS469
D	LYS492
D	LYS622
E	LYS467
E	LYS469
E	LYS492
E	LYS622
F	LYS467
F	LYS469
F	LYS492
A	LYS469
F	LYS622
G	LYS467
G	LYS469
G	LYS492
G	LYS622
H	LYS467
H	LYS469
H	LYS492
A	LYS492
H	LYS622
I	LYS467
I	LYS469
I	LYS492
I	LYS622
J	LYS467
J	LYS469
J	LYS492
A	LYS622
J	LYS622
K	LYS467
K	LYS469
K	LYS492
K	LYS622
L	LYS467
L	LYS469
L	LYS492
B	LYS467
L	LYS622
M	LYS467
M	LYS469
M	LYS492
M	LYS622
N	LYS467
N	LYS469
N	LYS492
N	LYS622
O	LYS467
O	LYS469
O	LYS492
O	LYS622
P	LYS467
P	LYS469
P	LYS492
B	LYS469
P	LYS622
B	LYS492

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