Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1KYI

HslUV (H. influenzae)-NLVS Vinyl Sulfone Inhibitor Complex

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0005515	molecular_function	protein binding
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0008233	molecular_function	peptidase activity
A	0009376	cellular_component	HslUV protease complex
A	0016887	molecular_function	ATP hydrolysis activity
A	0036402	molecular_function	proteasome-activating activity
A	0043335	biological_process	protein unfolding
A	0051603	biological_process	proteolysis involved in protein catabolic process
A	1901800	biological_process	positive regulation of proteasomal protein catabolic process
B	0000166	molecular_function	nucleotide binding
B	0005515	molecular_function	protein binding
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0008233	molecular_function	peptidase activity
B	0009376	cellular_component	HslUV protease complex
B	0016887	molecular_function	ATP hydrolysis activity
B	0036402	molecular_function	proteasome-activating activity
B	0043335	biological_process	protein unfolding
B	0051603	biological_process	proteolysis involved in protein catabolic process
B	1901800	biological_process	positive regulation of proteasomal protein catabolic process
C	0000166	molecular_function	nucleotide binding
C	0005515	molecular_function	protein binding
C	0005524	molecular_function	ATP binding
C	0005737	cellular_component	cytoplasm
C	0008233	molecular_function	peptidase activity
C	0009376	cellular_component	HslUV protease complex
C	0016887	molecular_function	ATP hydrolysis activity
C	0036402	molecular_function	proteasome-activating activity
C	0043335	biological_process	protein unfolding
C	0051603	biological_process	proteolysis involved in protein catabolic process
C	1901800	biological_process	positive regulation of proteasomal protein catabolic process
D	0000166	molecular_function	nucleotide binding
D	0005515	molecular_function	protein binding
D	0005524	molecular_function	ATP binding
D	0005737	cellular_component	cytoplasm
D	0008233	molecular_function	peptidase activity
D	0009376	cellular_component	HslUV protease complex
D	0016887	molecular_function	ATP hydrolysis activity
D	0036402	molecular_function	proteasome-activating activity
D	0043335	biological_process	protein unfolding
D	0051603	biological_process	proteolysis involved in protein catabolic process
D	1901800	biological_process	positive regulation of proteasomal protein catabolic process
E	0000166	molecular_function	nucleotide binding
E	0005515	molecular_function	protein binding
E	0005524	molecular_function	ATP binding
E	0005737	cellular_component	cytoplasm
E	0008233	molecular_function	peptidase activity
E	0009376	cellular_component	HslUV protease complex
E	0016887	molecular_function	ATP hydrolysis activity
E	0036402	molecular_function	proteasome-activating activity
E	0043335	biological_process	protein unfolding
E	0051603	biological_process	proteolysis involved in protein catabolic process
E	1901800	biological_process	positive regulation of proteasomal protein catabolic process
F	0000166	molecular_function	nucleotide binding
F	0005515	molecular_function	protein binding
F	0005524	molecular_function	ATP binding
F	0005737	cellular_component	cytoplasm
F	0008233	molecular_function	peptidase activity
F	0009376	cellular_component	HslUV protease complex
F	0016887	molecular_function	ATP hydrolysis activity
F	0036402	molecular_function	proteasome-activating activity
F	0043335	biological_process	protein unfolding
F	0051603	biological_process	proteolysis involved in protein catabolic process
F	1901800	biological_process	positive regulation of proteasomal protein catabolic process
G	0003824	molecular_function	catalytic activity
G	0004298	molecular_function	threonine-type endopeptidase activity
G	0005515	molecular_function	protein binding
G	0005737	cellular_component	cytoplasm
G	0005839	cellular_component	proteasome core complex
G	0006508	biological_process	proteolysis
G	0008152	biological_process	metabolic process
G	0008233	molecular_function	peptidase activity
G	0009376	cellular_component	HslUV protease complex
G	0016787	molecular_function	hydrolase activity
G	0030163	biological_process	protein catabolic process
G	0046872	molecular_function	metal ion binding
G	0051603	biological_process	proteolysis involved in protein catabolic process
H	0003824	molecular_function	catalytic activity
H	0004298	molecular_function	threonine-type endopeptidase activity
H	0005515	molecular_function	protein binding
H	0005737	cellular_component	cytoplasm
H	0005839	cellular_component	proteasome core complex
H	0006508	biological_process	proteolysis
H	0008152	biological_process	metabolic process
H	0008233	molecular_function	peptidase activity
H	0009376	cellular_component	HslUV protease complex
H	0016787	molecular_function	hydrolase activity
H	0030163	biological_process	protein catabolic process
H	0046872	molecular_function	metal ion binding
H	0051603	biological_process	proteolysis involved in protein catabolic process
I	0003824	molecular_function	catalytic activity
I	0004298	molecular_function	threonine-type endopeptidase activity
I	0005515	molecular_function	protein binding
I	0005737	cellular_component	cytoplasm
I	0005839	cellular_component	proteasome core complex
I	0006508	biological_process	proteolysis
I	0008152	biological_process	metabolic process
I	0008233	molecular_function	peptidase activity
I	0009376	cellular_component	HslUV protease complex
I	0016787	molecular_function	hydrolase activity
I	0030163	biological_process	protein catabolic process
I	0046872	molecular_function	metal ion binding
I	0051603	biological_process	proteolysis involved in protein catabolic process
J	0003824	molecular_function	catalytic activity
J	0004298	molecular_function	threonine-type endopeptidase activity
J	0005515	molecular_function	protein binding
J	0005737	cellular_component	cytoplasm
J	0005839	cellular_component	proteasome core complex
J	0006508	biological_process	proteolysis
J	0008152	biological_process	metabolic process
J	0008233	molecular_function	peptidase activity
J	0009376	cellular_component	HslUV protease complex
J	0016787	molecular_function	hydrolase activity
J	0030163	biological_process	protein catabolic process
J	0046872	molecular_function	metal ion binding
J	0051603	biological_process	proteolysis involved in protein catabolic process
K	0003824	molecular_function	catalytic activity
K	0004298	molecular_function	threonine-type endopeptidase activity
K	0005515	molecular_function	protein binding
K	0005737	cellular_component	cytoplasm
K	0005839	cellular_component	proteasome core complex
K	0006508	biological_process	proteolysis
K	0008152	biological_process	metabolic process
K	0008233	molecular_function	peptidase activity
K	0009376	cellular_component	HslUV protease complex
K	0016787	molecular_function	hydrolase activity
K	0030163	biological_process	protein catabolic process
K	0046872	molecular_function	metal ion binding
K	0051603	biological_process	proteolysis involved in protein catabolic process
L	0003824	molecular_function	catalytic activity
L	0004298	molecular_function	threonine-type endopeptidase activity
L	0005515	molecular_function	protein binding
L	0005737	cellular_component	cytoplasm
L	0005839	cellular_component	proteasome core complex
L	0006508	biological_process	proteolysis
L	0008152	biological_process	metabolic process
L	0008233	molecular_function	peptidase activity
L	0009376	cellular_component	HslUV protease complex
L	0016787	molecular_function	hydrolase activity
L	0030163	biological_process	protein catabolic process
L	0046872	molecular_function	metal ion binding
L	0051603	biological_process	proteolysis involved in protein catabolic process
M	0003824	molecular_function	catalytic activity
M	0004298	molecular_function	threonine-type endopeptidase activity
M	0005515	molecular_function	protein binding
M	0005737	cellular_component	cytoplasm
M	0005839	cellular_component	proteasome core complex
M	0006508	biological_process	proteolysis
M	0008152	biological_process	metabolic process
M	0008233	molecular_function	peptidase activity
M	0009376	cellular_component	HslUV protease complex
M	0016787	molecular_function	hydrolase activity
M	0030163	biological_process	protein catabolic process
M	0046872	molecular_function	metal ion binding
M	0051603	biological_process	proteolysis involved in protein catabolic process
N	0003824	molecular_function	catalytic activity
N	0004298	molecular_function	threonine-type endopeptidase activity
N	0005515	molecular_function	protein binding
N	0005737	cellular_component	cytoplasm
N	0005839	cellular_component	proteasome core complex
N	0006508	biological_process	proteolysis
N	0008152	biological_process	metabolic process
N	0008233	molecular_function	peptidase activity
N	0009376	cellular_component	HslUV protease complex
N	0016787	molecular_function	hydrolase activity
N	0030163	biological_process	protein catabolic process
N	0046872	molecular_function	metal ion binding
N	0051603	biological_process	proteolysis involved in protein catabolic process
O	0003824	molecular_function	catalytic activity
O	0004298	molecular_function	threonine-type endopeptidase activity
O	0005515	molecular_function	protein binding
O	0005737	cellular_component	cytoplasm
O	0005839	cellular_component	proteasome core complex
O	0006508	biological_process	proteolysis
O	0008152	biological_process	metabolic process
O	0008233	molecular_function	peptidase activity
O	0009376	cellular_component	HslUV protease complex
O	0016787	molecular_function	hydrolase activity
O	0030163	biological_process	protein catabolic process
O	0046872	molecular_function	metal ion binding
O	0051603	biological_process	proteolysis involved in protein catabolic process
P	0003824	molecular_function	catalytic activity
P	0004298	molecular_function	threonine-type endopeptidase activity
P	0005515	molecular_function	protein binding
P	0005737	cellular_component	cytoplasm
P	0005839	cellular_component	proteasome core complex
P	0006508	biological_process	proteolysis
P	0008152	biological_process	metabolic process
P	0008233	molecular_function	peptidase activity
P	0009376	cellular_component	HslUV protease complex
P	0016787	molecular_function	hydrolase activity
P	0030163	biological_process	protein catabolic process
P	0046872	molecular_function	metal ion binding
P	0051603	biological_process	proteolysis involved in protein catabolic process
Q	0003824	molecular_function	catalytic activity
Q	0004298	molecular_function	threonine-type endopeptidase activity
Q	0005515	molecular_function	protein binding
Q	0005737	cellular_component	cytoplasm
Q	0005839	cellular_component	proteasome core complex
Q	0006508	biological_process	proteolysis
Q	0008152	biological_process	metabolic process
Q	0008233	molecular_function	peptidase activity
Q	0009376	cellular_component	HslUV protease complex
Q	0016787	molecular_function	hydrolase activity
Q	0030163	biological_process	protein catabolic process
Q	0046872	molecular_function	metal ion binding
Q	0051603	biological_process	proteolysis involved in protein catabolic process
R	0003824	molecular_function	catalytic activity
R	0004298	molecular_function	threonine-type endopeptidase activity
R	0005515	molecular_function	protein binding
R	0005737	cellular_component	cytoplasm
R	0005839	cellular_component	proteasome core complex
R	0006508	biological_process	proteolysis
R	0008152	biological_process	metabolic process
R	0008233	molecular_function	peptidase activity
R	0009376	cellular_component	HslUV protease complex
R	0016787	molecular_function	hydrolase activity
R	0030163	biological_process	protein catabolic process
R	0046872	molecular_function	metal ion binding
R	0051603	biological_process	proteolysis involved in protein catabolic process
S	0000166	molecular_function	nucleotide binding
S	0005515	molecular_function	protein binding
S	0005524	molecular_function	ATP binding
S	0005737	cellular_component	cytoplasm
S	0008233	molecular_function	peptidase activity
S	0009376	cellular_component	HslUV protease complex
S	0016887	molecular_function	ATP hydrolysis activity
S	0036402	molecular_function	proteasome-activating activity
S	0043335	biological_process	protein unfolding
S	0051603	biological_process	proteolysis involved in protein catabolic process
S	1901800	biological_process	positive regulation of proteasomal protein catabolic process
T	0000166	molecular_function	nucleotide binding
T	0005515	molecular_function	protein binding
T	0005524	molecular_function	ATP binding
T	0005737	cellular_component	cytoplasm
T	0008233	molecular_function	peptidase activity
T	0009376	cellular_component	HslUV protease complex
T	0016887	molecular_function	ATP hydrolysis activity
T	0036402	molecular_function	proteasome-activating activity
T	0043335	biological_process	protein unfolding
T	0051603	biological_process	proteolysis involved in protein catabolic process
T	1901800	biological_process	positive regulation of proteasomal protein catabolic process
U	0000166	molecular_function	nucleotide binding
U	0005515	molecular_function	protein binding
U	0005524	molecular_function	ATP binding
U	0005737	cellular_component	cytoplasm
U	0008233	molecular_function	peptidase activity
U	0009376	cellular_component	HslUV protease complex
U	0016887	molecular_function	ATP hydrolysis activity
U	0036402	molecular_function	proteasome-activating activity
U	0043335	biological_process	protein unfolding
U	0051603	biological_process	proteolysis involved in protein catabolic process
U	1901800	biological_process	positive regulation of proteasomal protein catabolic process
V	0000166	molecular_function	nucleotide binding
V	0005515	molecular_function	protein binding
V	0005524	molecular_function	ATP binding
V	0005737	cellular_component	cytoplasm
V	0008233	molecular_function	peptidase activity
V	0009376	cellular_component	HslUV protease complex
V	0016887	molecular_function	ATP hydrolysis activity
V	0036402	molecular_function	proteasome-activating activity
V	0043335	biological_process	protein unfolding
V	0051603	biological_process	proteolysis involved in protein catabolic process
V	1901800	biological_process	positive regulation of proteasomal protein catabolic process
W	0000166	molecular_function	nucleotide binding
W	0005515	molecular_function	protein binding
W	0005524	molecular_function	ATP binding
W	0005737	cellular_component	cytoplasm
W	0008233	molecular_function	peptidase activity
W	0009376	cellular_component	HslUV protease complex
W	0016887	molecular_function	ATP hydrolysis activity
W	0036402	molecular_function	proteasome-activating activity
W	0043335	biological_process	protein unfolding
W	0051603	biological_process	proteolysis involved in protein catabolic process
W	1901800	biological_process	positive regulation of proteasomal protein catabolic process
X	0000166	molecular_function	nucleotide binding
X	0005515	molecular_function	protein binding
X	0005524	molecular_function	ATP binding
X	0005737	cellular_component	cytoplasm
X	0008233	molecular_function	peptidase activity
X	0009376	cellular_component	HslUV protease complex
X	0016887	molecular_function	ATP hydrolysis activity
X	0036402	molecular_function	proteasome-activating activity
X	0043335	biological_process	protein unfolding
X	0051603	biological_process	proteolysis involved in protein catabolic process
X	1901800	biological_process	positive regulation of proteasomal protein catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE ATP A 450

Chain	Residue
A	HIS16
A	ASP257
A	LEU336
A	ILE344
A	ALA393
A	ARG394
B	GLU322
A	ILE17
A	ILE18
A	GLY60
A	VAL61
A	GLY62
A	LYS63
A	THR64
A	GLU65

site_id	AC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE ATP B 451

Chain	Residue
B	HIS16
B	ILE17
B	ILE18
B	GLY60
B	VAL61
B	GLY62
B	LYS63
B	THR64
B	GLU65
B	ASP257
B	LEU336
B	ILE344
B	ALA393
C	GLU322

site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE ATP C 452

Chain	Residue
C	HIS16
C	ILE17
C	ILE18
C	PRO58
C	THR59
C	GLY60
C	VAL61
C	GLY62
C	LYS63
C	THR64
C	GLU65
C	ASP257
C	LEU336
C	ILE344
C	ALA393
D	GLU322

site_id	AC4
Number of Residues	14
Details	BINDING SITE FOR RESIDUE ATP D 453

Chain	Residue
D	HIS16
D	ILE17
D	ILE18
D	GLY60
D	VAL61
D	GLY62
D	LYS63
D	THR64
D	GLU65
D	ASP257
D	LEU336
D	ILE344
D	ALA393
E	GLU322

site_id	AC5
Number of Residues	13
Details	BINDING SITE FOR RESIDUE ATP E 454

Chain	Residue
E	HIS16
E	ILE17
E	ILE18
E	GLY60
E	VAL61
E	GLY62
E	LYS63
E	THR64
E	GLU65
E	ASP257
E	LEU336
E	ILE344
E	ALA393

site_id	AC6
Number of Residues	16
Details	BINDING SITE FOR RESIDUE ATP F 455

Chain	Residue
A	GLU322
F	HIS16
F	ILE17
F	ILE18
F	PRO58
F	GLY60
F	VAL61
F	GLY62
F	LYS63
F	THR64
F	GLU65
F	ASP257
F	LEU336
F	ILE344
F	ALA393
F	ARG394

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE LVS G 175

Chain	Residue
G	THR1
G	VAL20
G	SER21
G	LEU22
G	PHE46
G	GLY48
G	THR50
G	SER125

site_id	AC8
Number of Residues	11
Details	BINDING SITE FOR RESIDUE LVS H 175

Chain	Residue
H	SER21
H	LEU22
H	LYS33
H	PHE46
H	GLY48
H	GLY49
H	THR50
H	SER125
A	LEU444
H	THR1
H	VAL20

site_id	AC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE LVS I 175

Chain	Residue
B	LEU444
I	THR1
I	VAL20
I	SER21
I	LEU22
I	LYS33
I	PHE46
I	ALA47
I	GLY48
I	THR50
I	SER125

site_id	BC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE LVS J 175

Chain	Residue
J	THR1
J	VAL20
J	SER21
J	LEU22
J	LYS33
J	PHE46
J	GLY48
J	THR50
J	GLY124
J	SER125

site_id	BC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE LVS K 175

Chain	Residue
K	THR1
K	VAL20
K	SER21
K	LEU22
K	LYS33
K	PHE46
K	GLY48
K	THR50
K	GLY124
K	SER125

site_id	BC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE LVS L 175

Chain	Residue
E	LEU444
L	THR1
L	VAL20
L	SER21
L	LEU22
L	LYS33
L	PHE46
L	GLY48
L	THR50
L	GLY124
L	SER125

site_id	BC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE LVS M 175

Chain	Residue
M	THR1
M	VAL20
M	SER21
M	MET27
M	GLY48
M	GLY49
M	THR50
M	SER125
N	ASP111

site_id	BC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE LVS N 175

Chain	Residue
N	THR1
N	VAL20
N	SER21
N	MET27
N	LYS33
N	GLY48
N	GLY49
N	THR50
N	GLY124
N	SER125
O	ASP111

site_id	BC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE LVS O 175

Chain	Residue
O	THR1
O	VAL20
O	SER21
O	MET27
O	LYS33
O	GLY48
O	GLY49
O	THR50
O	SER125
P	ASP111

site_id	BC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE LVS P 175

Chain	Residue
P	THR1
P	VAL20
P	SER21
P	MET27
P	LYS33
P	GLY48
P	GLY49
P	THR50
P	SER125
Q	ASP111

site_id	BC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE LVS Q 175

Chain	Residue
Q	THR1
Q	VAL20
Q	SER21
Q	MET27
Q	GLY48
Q	GLY49
Q	THR50
Q	SER125
R	ASP111

site_id	BC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE LVS R 175

Chain	Residue
M	ASP111
R	THR1
R	VAL20
R	SER21
R	MET27
R	GLY48
R	GLY49
R	THR50
R	SER125

site_id	CC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE ATP S 456

Chain	Residue
S	HIS16
S	ILE17
S	ILE18
S	PRO58
S	THR59
S	GLY60
S	VAL61
S	GLY62
S	LYS63
S	THR64
S	GLU65
S	ASP257
S	ILE344
S	ALA393
S	ARG394
S	HIS397

site_id	CC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE ATP T 457

Chain	Residue
S	GLU322
T	HIS16
T	ILE17
T	ILE18
T	THR59
T	GLY60
T	VAL61
T	GLY62
T	LYS63
T	THR64
T	GLU65
T	ASP257
T	ILE344
T	ALA393
T	HIS397

site_id	CC3
Number of Residues	15
Details	BINDING SITE FOR RESIDUE ATP U 458

Chain	Residue
T	GLU322
U	ILE17
U	ILE18
U	PRO58
U	THR59
U	GLY60
U	VAL61
U	GLY62
U	LYS63
U	THR64
U	GLU65
U	ASP257
U	ILE344
U	ALA393
U	HIS397

site_id	CC4
Number of Residues	15
Details	BINDING SITE FOR RESIDUE ATP V 459

Chain	Residue
U	GLU322
V	HIS16
V	ILE17
V	ILE18
V	THR59
V	GLY60
V	VAL61
V	GLY62
V	LYS63
V	THR64
V	GLU65
V	ASP257
V	ILE344
V	ALA393
V	HIS397

site_id	CC5
Number of Residues	15
Details	BINDING SITE FOR RESIDUE ATP W 460

Chain	Residue
V	GLU322
W	HIS16
W	ILE17
W	ILE18
W	THR59
W	GLY60
W	VAL61
W	GLY62
W	LYS63
W	THR64
W	GLU65
W	ASP257
W	ILE344
W	ALA393
W	HIS397

site_id	CC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE ATP X 461

Chain	Residue
W	GLU322
X	ILE17
X	ILE18
X	THR59
X	GLY60
X	VAL61
X	GLY62
X	LYS63
X	THR64
X	ASP257
X	ILE344
X	ALA393
X	HIS397

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	ACT_SITE:

Chain	Residue	Details
G	THR2
P	THR2
Q	THR2
R	THR2
E	ILE18
E	GLY60
E	ILE306
F	ILE18
F	GLY60
F	ILE306
S	ILE18
H	THR2
S	GLY60
S	ILE306
T	ILE18
T	GLY60
T	ILE306
U	ILE18
U	GLY60
U	ILE306
V	ILE18
V	GLY60
I	THR2
V	ILE306
W	ILE18
W	GLY60
W	ILE306
X	ILE18
X	GLY60
X	ILE306
J	THR2
K	THR2
L	THR2
M	THR2
N	THR2
O	THR2

site_id	SWS_FT_FI2
Number of Residues	36
Details	BINDING:

Chain	Residue	Details
G	ASP158
J	ASP158
J	VAL161
J	ASN164
K	ASP158
K	VAL161
K	ASN164
L	ASP158
L	VAL161
L	ASN164
M	ASP158
G	VAL161
M	VAL161
M	ASN164
N	ASP158
N	VAL161
N	ASN164
O	ASP158
O	VAL161
O	ASN164
P	ASP158
P	VAL161
G	ASN164
P	ASN164
Q	ASP158
Q	VAL161
Q	ASN164
R	ASP158
R	VAL161
R	ASN164
H	ASP158
H	VAL161
H	ASN164
I	ASP158
I	VAL161
I	ASN164

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)