Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4K3N

Phosphonic Arginine Mimetics as Inhibitors of the M17 Aminopeptidases from Plasmodium falciparum

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005737	cellular_component	cytoplasm
A	0006508	biological_process	proteolysis
A	0019538	biological_process	protein metabolic process
A	0030145	molecular_function	manganese ion binding
A	0046872	molecular_function	metal ion binding
A	0070006	molecular_function	metalloaminopeptidase activity
B	0005737	cellular_component	cytoplasm
B	0006508	biological_process	proteolysis
B	0019538	biological_process	protein metabolic process
B	0030145	molecular_function	manganese ion binding
B	0046872	molecular_function	metal ion binding
B	0070006	molecular_function	metalloaminopeptidase activity
C	0005737	cellular_component	cytoplasm
C	0006508	biological_process	proteolysis
C	0019538	biological_process	protein metabolic process
C	0030145	molecular_function	manganese ion binding
C	0046872	molecular_function	metal ion binding
C	0070006	molecular_function	metalloaminopeptidase activity
D	0005737	cellular_component	cytoplasm
D	0006508	biological_process	proteolysis
D	0019538	biological_process	protein metabolic process
D	0030145	molecular_function	manganese ion binding
D	0046872	molecular_function	metal ion binding
D	0070006	molecular_function	metalloaminopeptidase activity
E	0005737	cellular_component	cytoplasm
E	0006508	biological_process	proteolysis
E	0019538	biological_process	protein metabolic process
E	0030145	molecular_function	manganese ion binding
E	0046872	molecular_function	metal ion binding
E	0070006	molecular_function	metalloaminopeptidase activity
F	0005737	cellular_component	cytoplasm
F	0006508	biological_process	proteolysis
F	0019538	biological_process	protein metabolic process
F	0030145	molecular_function	manganese ion binding
F	0046872	molecular_function	metal ion binding
F	0070006	molecular_function	metalloaminopeptidase activity
G	0005737	cellular_component	cytoplasm
G	0006508	biological_process	proteolysis
G	0019538	biological_process	protein metabolic process
G	0030145	molecular_function	manganese ion binding
G	0046872	molecular_function	metal ion binding
G	0070006	molecular_function	metalloaminopeptidase activity
H	0005737	cellular_component	cytoplasm
H	0006508	biological_process	proteolysis
H	0019538	biological_process	protein metabolic process
H	0030145	molecular_function	manganese ion binding
H	0046872	molecular_function	metal ion binding
H	0070006	molecular_function	metalloaminopeptidase activity
I	0005737	cellular_component	cytoplasm
I	0006508	biological_process	proteolysis
I	0019538	biological_process	protein metabolic process
I	0030145	molecular_function	manganese ion binding
I	0046872	molecular_function	metal ion binding
I	0070006	molecular_function	metalloaminopeptidase activity
J	0005737	cellular_component	cytoplasm
J	0006508	biological_process	proteolysis
J	0019538	biological_process	protein metabolic process
J	0030145	molecular_function	manganese ion binding
J	0046872	molecular_function	metal ion binding
J	0070006	molecular_function	metalloaminopeptidase activity
K	0005737	cellular_component	cytoplasm
K	0006508	biological_process	proteolysis
K	0019538	biological_process	protein metabolic process
K	0030145	molecular_function	manganese ion binding
K	0046872	molecular_function	metal ion binding
K	0070006	molecular_function	metalloaminopeptidase activity
L	0005737	cellular_component	cytoplasm
L	0006508	biological_process	proteolysis
L	0019538	biological_process	protein metabolic process
L	0030145	molecular_function	manganese ion binding
L	0046872	molecular_function	metal ion binding
L	0070006	molecular_function	metalloaminopeptidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN A 1001

Chain	Residue
A	LYS374
A	ASP379
A	ASP399
A	GLU461
A	ZN1003
A	1OT1004

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CO3 A 1002

Chain	Residue
A	GLY462
A	ARG463
A	LEU487
A	1OT1004
A	LYS374
A	ALA460
A	GLU461

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN A 1003

Chain	Residue
A	ASP379
A	LYS386
A	ASP459
A	GLU461
A	ZN1001
A	1OT1004

site_id	AC4
Number of Residues	17
Details	BINDING SITE FOR RESIDUE 1OT A 1004

Chain	Residue
A	LYS374
A	ASP379
A	LYS386
A	MET392
A	MET396
A	PHE398
A	ASP399
A	ASP459
A	GLU461
A	THR486
A	LEU487
A	LEU492
A	ALA577
A	ZN1001
A	CO31002
A	ZN1003
A	HOH1226

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 1005

Chain	Residue
A	SER435
A	LYS436
B	SER435
B	LYS436
C	SER435
C	LYS436

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 1006

Chain	Residue
A	ILE101
A	GLU102
A	TYR103
A	ASN104

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 1007

Chain	Residue
A	PHE156
A	ASN161
A	LYS164
D	TYR176
D	MET177
D	SER184

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 1008

Chain	Residue
A	GLU125
A	GLY126
A	LEU219
A	SER220

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 1PE A 1009

Chain	Residue
A	TYR103
A	ASN104
A	HIS108
A	PHE289
A	LYS320
A	TYR411

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE 1PE A 1010

Chain	Residue
A	TYR103
A	GLU316
A	LYS320

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN B 1001

Chain	Residue
B	LYS374
B	ASP379
B	ASP399
B	GLU461
B	ZN1003
B	1OT1004

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CO3 B 1002

Chain	Residue
B	LYS374
B	ALA460
B	GLU461
B	GLY462
B	ARG463
B	LEU487
B	1OT1004
B	HOH1137

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN B 1003

Chain	Residue
B	ASP379
B	ASP459
B	GLU461
B	ZN1001
B	1OT1004

site_id	BC5
Number of Residues	15
Details	BINDING SITE FOR RESIDUE 1OT B 1004

Chain	Residue
B	LYS374
B	ASP379
B	LYS386
B	MET392
B	MET396
B	ASP399
B	ASP459
B	GLU461
B	THR486
B	LEU487
B	LEU492
B	ZN1001
B	CO31002
B	ZN1003
B	HOH1128

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 1005

Chain	Residue
B	GLY126
B	LEU219
B	SER220

site_id	BC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 2PE B 1006

Chain	Residue
B	TYR103
B	LYS320
B	TYR411
H	TYR103
H	GLU316
H	LYS320
H	2PE1006

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 2PE B 1007

Chain	Residue
B	SER93
B	LEU94
B	ASP95
B	PRO96
B	TYR304

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN C 1001

Chain	Residue
C	LYS374
C	ASP379
C	ASP399
C	GLU461
C	ZN1003
C	1OT1004

site_id	CC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CO3 C 1002

Chain	Residue
C	LYS374
C	ALA460
C	GLU461
C	GLY462
C	ARG463
C	LEU487
C	1OT1004

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN C 1003

Chain	Residue
C	ASP379
C	ASP459
C	GLU461
C	ZN1001
C	1OT1004

site_id	CC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE 1OT C 1004

Chain	Residue
C	LYS374
C	ASP379
C	LYS386
C	MET392
C	MET396
C	ASP399
C	ASP459
C	GLU461
C	THR486
C	LEU487
C	LEU492
C	ZN1001
C	CO31002
C	ZN1003
C	1PE1008
C	HOH1134

site_id	CC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 1005

Chain	Residue
C	TYR103
C	ASN104
C	1PE1006

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE 1PE C 1006

Chain	Residue
C	TYR103
C	GLU316
C	LYS320
C	SO41005

site_id	CC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 1PE C 1007

Chain	Residue
C	TYR103
C	ASN104
C	HIS108
C	TYR411
C	HOH1261

site_id	CC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE 1PE C 1008

Chain	Residue
C	ASN457
C	ASP459
C	1OT1004
C	HOH1216

site_id	CC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 2PE C 1009

Chain	Residue
C	GLN90
C	SER93
C	LEU94
C	ASP95
C	THR97
C	HOH1146

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN D 1001

Chain	Residue
D	LYS374
D	ASP379
D	ASP399
D	GLU461
D	ZN1003
D	1OT1004

site_id	DC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CO3 D 1002

Chain	Residue
D	LYS374
D	ALA460
D	GLU461
D	GLY462
D	ARG463
D	LEU487
D	1OT1004
D	HOH1179

site_id	DC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN D 1003

Chain	Residue
D	ASP379
D	ASP459
D	GLU461
D	ZN1001
D	1OT1004

site_id	DC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE 1OT D 1004

Chain	Residue
D	LYS374
D	ASP379
D	LYS386
D	PHE398
D	ASP399
D	ASP459
D	GLU461
D	THR486
D	LEU487
D	LEU492
D	ALA577
D	ZN1001
D	CO31002
D	ZN1003
D	HOH1179
D	HOH1248

site_id	DC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 D 1005

Chain	Residue
D	SER435
D	LYS436
E	SER435
E	LYS436
F	SER435
F	LYS436

site_id	DC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 1006

Chain	Residue
D	TYR103
D	ASN104
D	2PE1010

site_id	DC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 1PE D 1007

Chain	Residue
D	TYR103
D	ASN104
D	HIS108
D	LYS320
D	TYR411

site_id	DC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE 1PE D 1008

Chain	Residue
D	LYS111
L	GLU282
L	ARG285

site_id	DC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 1PE D 1009

Chain	Residue
D	ASN449
D	LYS451
D	ARG534
D	ASP543
D	GLU564
D	GLN567

site_id	DC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 2PE D 1010

Chain	Residue
D	TYR103
D	ASN104
D	GLU316
D	GLN319
D	LYS320
D	SO41006

site_id	EC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 2PE D 1011

Chain	Residue
D	ALA85
D	SER86
D	GLU87
D	VAL88
D	THR97
D	ASN312

site_id	EC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE 2PE D 1012

Chain	Residue
D	SER93
D	LEU94
D	ASP95
D	THR97

site_id	EC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN E 1001

Chain	Residue
E	LYS374
E	ASP379
E	ASP399
E	GLU461
E	ZN1003
E	1OT1004

site_id	EC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CO3 E 1002

Chain	Residue
E	LYS374
E	ALA460
E	GLU461
E	GLY462
E	ARG463
E	LEU487
E	1OT1004
E	HOH1123

site_id	EC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN E 1003

Chain	Residue
E	ASP379
E	ASP459
E	GLU461
E	ZN1001
E	1OT1004

site_id	EC6
Number of Residues	16
Details	BINDING SITE FOR RESIDUE 1OT E 1004

Chain	Residue
E	LYS374
E	ASP379
E	LYS386
E	MET392
E	PHE398
E	ASP399
E	ASP459
E	GLU461
E	THR486
E	LEU487
E	LEU492
E	ZN1001
E	CO31002
E	ZN1003
E	HOH1123
E	HOH1184

site_id	EC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 1005

Chain	Residue
E	GLU102
E	TYR103
E	ASN104
E	HOH1202

site_id	EC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 E 1006

Chain	Residue
C	PHE156
C	LYS164
E	TYR176
E	MET177
E	PHE178
E	SER184

site_id	EC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE 1PE E 1007

Chain	Residue
E	TYR103
E	GLU316
E	LYS320

site_id	FC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE 1PE E 1008

Chain	Residue
E	TYR103
E	PHE289
E	TYR411
E	HOH1189

site_id	FC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE 1PE E 1009

Chain	Residue
E	ASN449
E	LYS451
E	ASP543
F	SER254

site_id	FC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 2PE E 1010

Chain	Residue
E	SER93
E	ASP95
E	PRO96
E	THR97
E	TYR304

site_id	FC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN F 1001

Chain	Residue
F	LYS374
F	ASP379
F	ASP399
F	GLU461
F	ZN1003
F	1OT1004

site_id	FC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CO3 F 1002

Chain	Residue
F	LYS374
F	ALA460
F	GLU461
F	GLY462
F	ARG463
F	LEU487
F	1OT1004

site_id	FC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN F 1003

Chain	Residue
F	ASP379
F	LYS386
F	ASP459
F	GLU461
F	ZN1001
F	1OT1004

site_id	FC7
Number of Residues	15
Details	BINDING SITE FOR RESIDUE 1OT F 1004

Chain	Residue
F	LYS374
F	ASP379
F	LYS386
F	MET392
F	PHE398
F	ASP399
F	ASP459
F	GLU461
F	THR486
F	LEU487
F	LEU492
F	ZN1001
F	CO31002
F	ZN1003
F	HOH1168

site_id	FC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 F 1005

Chain	Residue
F	GLU102
F	TYR103
F	ASN104
F	1PE1007

site_id	FC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 1PE F 1006

Chain	Residue
F	TYR103
F	HIS108
F	PHE289
F	LYS320
F	TYR411

site_id	GC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE 1PE F 1007

Chain	Residue
F	TYR103
F	GLU316
F	LYS320
F	SO41005

site_id	GC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 1PE F 1008

Chain	Residue
D	SER254
F	ASN449
F	LYS451
F	ASP543
F	GLN567

site_id	GC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE 1PE F 1009

Chain	Residue
F	LEU514
F	SER517
F	VAL524

site_id	GC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 2PE F 1010

Chain	Residue
F	SER93
F	LEU94
F	ASP95
F	PRO96
F	TYR304

site_id	GC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN G 1001

Chain	Residue
G	LYS374
G	ASP379
G	ASP399
G	GLU461
G	ZN1003
G	1OT1004

site_id	GC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CO3 G 1002

Chain	Residue
G	LYS374
G	ALA460
G	GLU461
G	GLY462
G	ARG463
G	LEU487
G	1OT1004

site_id	GC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN G 1003

Chain	Residue
G	ASP379
G	LYS386
G	ASP459
G	GLU461
G	ZN1001
G	1OT1004

site_id	GC8
Number of Residues	18
Details	BINDING SITE FOR RESIDUE 1OT G 1004

Chain	Residue
G	LYS374
G	ASP379
G	LYS386
G	MET392
G	MET396
G	PHE398
G	ASP399
G	ASP459
G	GLU461
G	THR486
G	LEU487
G	LEU492
G	ALA577
G	ZN1001
G	CO31002
G	ZN1003
G	HOH1145
G	HOH1239

site_id	GC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 G 1005

Chain	Residue
G	PHE156
G	ASN161
G	LYS164
J	TYR176
J	MET177
J	SER184

site_id	HC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 G 1006

Chain	Residue
G	ILE101
G	TYR103
G	ASN104
G	1PE1011

site_id	HC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 G 1007

Chain	Residue
A	LYS111
G	GLY126
G	LEU219
G	SER220
G	HOH1233
J	LYS164

site_id	HC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE 1PE G 1008

Chain	Residue
G	TYR103
G	HIS108
G	TYR411

site_id	HC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 1PE G 1009

Chain	Residue
A	TYR115
A	ASN122
A	TYR270
G	TYR115
G	ASN122
G	GLU124
G	TYR270
G	1PE1010

site_id	HC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE 1PE G 1010

Chain	Residue
A	ASN122
G	ASN122
G	1PE1009

site_id	HC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 1PE G 1011

Chain	Residue
G	TYR103
G	GLU316
G	GLN319
G	LYS320
G	SO41006

site_id	HC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN H 1001

Chain	Residue
H	LYS374
H	ASP379
H	ASP399
H	GLU461
H	ZN1003
H	1OT1004

site_id	HC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CO3 H 1002

Chain	Residue
H	LYS374
H	ALA460
H	GLU461
H	GLY462
H	ARG463
H	LEU487
H	1OT1004

site_id	HC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN H 1003

Chain	Residue
H	ASP379
H	LYS386
H	ASP459
H	GLU461
H	ZN1001
H	1OT1004

site_id	IC1
Number of Residues	17
Details	BINDING SITE FOR RESIDUE 1OT H 1004

Chain	Residue
H	LYS374
H	ASP379
H	LYS386
H	MET396
H	PHE398
H	ASP399
H	ASP459
H	GLU461
H	THR486
H	LEU487
H	LEU492
H	ALA577
H	ZN1001
H	CO31002
H	ZN1003
H	HOH1158
H	HOH1165

site_id	IC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 H 1005

Chain	Residue
G	SER435
G	LYS436
H	SER435
H	LYS436
I	SER435
I	LYS436

site_id	IC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 2PE H 1006

Chain	Residue
B	TYR103
B	GLU316
B	LYS320
B	2PE1006
H	TYR103
H	ASN104
H	HIS108
H	LYS320
H	TYR411

site_id	IC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE 2PE H 1007

Chain	Residue
H	TYR115
H	ASN122
H	ASN149
H	TYR270

site_id	IC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN I 1001

Chain	Residue
I	LYS374
I	ASP379
I	ASP399
I	GLU461
I	ZN1003
I	1OT1004

site_id	IC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CO3 I 1002

Chain	Residue
I	LYS374
I	ALA460
I	GLU461
I	GLY462
I	ARG463
I	LEU487
I	1OT1004

site_id	IC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN I 1003

Chain	Residue
I	ASP379
I	LYS386
I	ASP459
I	GLU461
I	ZN1001
I	1OT1004

site_id	IC8
Number of Residues	17
Details	BINDING SITE FOR RESIDUE 1OT I 1004

Chain	Residue
I	LYS374
I	ASP379
I	LYS386
I	MET392
I	MET396
I	PHE398
I	ASP399
I	ASP459
I	GLU461
I	THR486
I	LEU487
I	LEU492
I	ALA577
I	ZN1001
I	CO31002
I	ZN1003
I	HOH1204

site_id	IC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 I 1005

Chain	Residue
I	GLU102
I	TYR103
I	ASN104

site_id	JC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 I 1006

Chain	Residue
I	PHE156
I	ASN161
I	LYS164
K	MET177
K	PHE178
K	SER184

site_id	JC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE 1PE I 1007

Chain	Residue
I	TYR103
I	GLU316
I	LYS320
I	1PE1008

site_id	JC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 1PE I 1008

Chain	Residue
I	TYR103
I	ASN104
I	PHE289
I	TYR411
I	1PE1007

site_id	JC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 1PE I 1009

Chain	Residue
I	ILE529
I	ILE530
I	ASN531
I	GLU532
I	HOH1239
J	TYR499
J	HOH1185

site_id	JC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 2PE I 1010

Chain	Residue
I	TYR115
I	GLY119
I	GLY120
I	ASN122
I	ASN149
I	TYR270

site_id	JC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN J 1001

Chain	Residue
J	LYS374
J	ASP379
J	ASP399
J	GLU461
J	ZN1003
J	1OT1004

site_id	JC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CO3 J 1002

Chain	Residue
J	LYS374
J	ALA460
J	GLU461
J	GLY462
J	ARG463
J	LEU487
J	1OT1004
J	HOH1167

site_id	JC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN J 1003

Chain	Residue
J	ASP379
J	ASP459
J	GLU461
J	ZN1001
J	1OT1004

site_id	JC9
Number of Residues	16
Details	BINDING SITE FOR RESIDUE 1OT J 1004

Chain	Residue
J	LYS374
J	ASP379
J	LYS386
J	MET392
J	PHE398
J	ASP399
J	ASP459
J	GLU461
J	THR486
J	LEU487
J	LEU492
J	ALA577
J	ZN1001
J	CO31002
J	ZN1003
J	HOH1222

site_id	KC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 J 1005

Chain	Residue
J	ILE101
J	TYR103
J	ASN104
J	1PE1007

site_id	KC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 1PE J 1006

Chain	Residue
J	TYR103
J	ASN104
J	HIS108
J	LYS320
J	LEU321
J	TYR411

site_id	KC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE 1PE J 1007

Chain	Residue
J	TYR103
J	GLU316
J	LYS320
J	SO41005

site_id	KC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 1PE J 1008

Chain	Residue
J	ASN449
J	LYS451
J	ASP543
J	GLU564
K	SER254

site_id	KC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 1PE J 1009

Chain	Residue
I	HOH1123
J	LEU514
J	LYS518
J	VAL524
J	TRP525
J	TRP526

site_id	KC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE 2PE J 1010

Chain	Residue
J	THR569
J	ALA570
J	HOH1169

site_id	KC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN K 1001

Chain	Residue
K	LYS374
K	ASP379
K	ASP399
K	GLU461
K	ZN1003
K	1OT1004

site_id	KC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CO3 K 1002

Chain	Residue
K	LYS374
K	ALA460
K	GLU461
K	GLY462
K	ARG463
K	LEU487
K	1OT1004

site_id	KC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN K 1003

Chain	Residue
K	ASP379
K	ASP459
K	GLU461
K	ZN1001
K	1OT1004

site_id	LC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE 1OT K 1004

Chain	Residue
K	LYS374
K	ASP379
K	LYS386
K	MET392
K	MET396
K	PHE398
K	ASP399
K	ASP459
K	GLU461
K	THR486
K	LEU487
K	LEU492
K	ZN1001
K	CO31002
K	ZN1003
K	HOH1251

site_id	LC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 K 1005

Chain	Residue
J	SER435
J	LYS436
K	SER435
K	LYS436
L	SER435
L	LYS436

site_id	LC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 K 1006

Chain	Residue
K	GLU102
K	TYR103
K	ASN104
K	HOH1272

site_id	LC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE 1PE K 1007

Chain	Residue
K	GLU316
K	LYS320
K	HOH1259

site_id	LC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 1PE K 1008

Chain	Residue
K	TYR103
K	HIS108
K	PHE289
K	LYS320
K	TYR411

site_id	LC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 1PE K 1009

Chain	Residue
K	ASN449
K	LYS451
K	ASP543
K	GLU564
L	SER254

site_id	LC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE 1PE K 1010

Chain	Residue
K	ASP95
K	PRO96

site_id	LC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN L 1001

Chain	Residue
L	LYS374
L	ASP379
L	ASP399
L	GLU461
L	ZN1003
L	1OT1004

site_id	LC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CO3 L 1002

Chain	Residue
L	LYS374
L	ALA460
L	GLU461
L	GLY462
L	ARG463
L	LEU487
L	1OT1004
L	HOH1150

site_id	MC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN L 1003

Chain	Residue
L	ASP379
L	ASP459
L	GLU461
L	ZN1001
L	1OT1004

site_id	MC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE 1OT L 1004

Chain	Residue
L	LYS374
L	ASP379
L	LYS386
L	MET392
L	PHE398
L	ASP399
L	ASP459
L	GLU461
L	THR486
L	LEU487
L	LEU492
L	ALA577
L	ZN1001
L	CO31002
L	ZN1003
L	HOH1101
L	HOH1150

site_id	MC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 L 1005

Chain	Residue
L	GLU102
L	TYR103
L	ASN104
L	1PE1009

site_id	MC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE 1PE L 1006

Chain	Residue
L	TYR103
L	ASN104
L	HIS108
L	TYR411

site_id	MC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 1PE L 1007

Chain	Residue
J	SER254
L	ASN449
L	LYS451
L	ARG534
L	ASP543
L	GLU564
L	GLN567

site_id	MC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE 1PE L 1008

Chain	Residue
L	SER517
L	LYS518
L	VAL524
L	HOH1221

site_id	MC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 1PE L 1009

Chain	Residue
L	TYR103
L	ASN104
L	GLU316
L	LYS320
L	SO41005

Functional Information from PROSITE/UniProt

site_id	PS00631
Number of Residues	8
Details	CYTOSOL_AP Cytosol aminopeptidase signature. NTDAEGRL

Chain	Residue	Details
A	ASN457-LEU464

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	204
Details	Region: {"description":"L13 loop","evidences":[{"source":"PubMed","id":"35691342","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	24
Details	Active site: {"evidences":[{"source":"UniProtKB","id":"P00727","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	36
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20133789","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21844374","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23713488","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25299353","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25645579","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"35691342","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2021","submissionDatabase":"PDB data bank","title":"Structure of M17 with compound.","authors":["Edgar R.","McGowan S.","Webb C.T."]}},{"source":"PDB","id":"3T8W","evidenceCode":"ECO:0000312"},{"source":"PDB","id":"3KQX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KQZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KR4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KR5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4K3N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4R6T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4R76","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4R7M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4X2T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7RIE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7T3V","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20133789","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"23713488","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"3KR5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4K3N","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	36
Details	Binding site: {"evidences":[{"source":"PubMed","id":"35691342","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"7SRV","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20133789","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21844374","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23713488","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25299353","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25645579","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"35691342","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2021","submissionDatabase":"PDB data bank","title":"Structure of M17 with compound.","authors":["Edgar R.","McGowan S.","Webb C.T."]}},{"source":"PDB","id":"3KQZ","evidenceCode":"ECO:0000312"},{"source":"PDB","id":"3T8W","evidenceCode":"ECO:0000312"},{"source":"PDB","id":"3KR4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KR5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4K3N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4R6T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4R76","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4R7M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4X2T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7RIE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7T3V","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	12
Details	Site: {"description":"Essential for hexamer stabilization","evidences":[{"source":"PubMed","id":"35691342","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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