6WXM

X-ray crystallographic structure of a beta-hairpin peptide derived from amyloid beta 16-36

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016020	cellular_component	membrane
B	0016020	cellular_component	membrane
C	0016020	cellular_component	membrane
D	0016020	cellular_component	membrane
E	0016020	cellular_component	membrane
F	0016020	cellular_component	membrane
G	0016020	cellular_component	membrane
H	0016020	cellular_component	membrane
I	0016020	cellular_component	membrane
J	0016020	cellular_component	membrane
K	0016020	cellular_component	membrane

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	binding site for residue HEZ H 101

Chain	Residue
H	LYS3
H	HOH204

---

site_id	AC2
Number of Residues	3
Details	binding site for residue HEZ H 102

Chain	Residue
H	CYS8
H	GLY16
H	CYS18

---

site_id	AC3
Number of Residues	8
Details	binding site for residue HEZ I 101

Chain	Residue
I	ASP10
I	GLY16
J	PHI6
J	HOH201
A	SAR20
C	LYS3
D	PHI6
I	GLU9

---

site_id	AC4
Number of Residues	4
Details	binding site for residue HEZ E 101

Chain	Residue
E	PHE7
E	ALA17
E	HOH202
G	GLY16

---

site_id	AC5
Number of Residues	4
Details	binding site for residue HEZ A 101

Chain	Residue
A	GLY16
B	PHE7
I	LEU4
I	SAR20

---

site_id	AC6
Number of Residues	2
Details	binding site for residue HEZ C 101

Chain	Residue
C	ORN2
G	LEU21

---

site_id	AC7
Number of Residues	5
Details	binding site for residue HEZ D 101

Chain	Residue
B	ALA17
D	PHE7
D	GLU9
D	ALA17
J	ALA17

---

site_id	AC8
Number of Residues	2
Details	binding site for residue HEZ J 101

Chain	Residue
B	LYS3
I	PHI6

---

site_id	AC9
Number of Residues	3
Details	binding site for residue HEZ J 102

Chain	Residue
D	CYS8
J	SAR20
J	MET22

---

site_id	AD1
Number of Residues	2
Details	binding site for residue HEZ G 101

Chain	Residue
G	VAL1
H	LEU4

---

site_id	AD2
Number of Residues	4
Details	binding site for Di-peptide VAL A 1 and ORN A 2

Chain	Residue
A	LYS3
A	PHE7
A	LEU21
A	MET22

---

site_id	AD3
Number of Residues	7
Details	binding site for Di-peptide VAL A 1 and MET A 22

Chain	Residue
A	ORN2
A	LYS3
A	LEU4
A	PHE7
A	LEU21
C	VAL11
C	HOH201

---

site_id	AD4
Number of Residues	4
Details	binding site for Di-peptide ORN A 2 and LYS A 3

Chain	Residue
A	VAL1
A	LEU4
A	VAL5
A	MET22

---

site_id	AD5
Number of Residues	3
Details	binding site for Di-peptide VAL B 1 and ORN B 2

Chain	Residue
B	LYS3
B	LEU21
B	MET22

---

site_id	AD6
Number of Residues	7
Details	binding site for Di-peptide VAL B 1 and MET B 22

Chain	Residue
B	ORN2
B	LYS3
B	LEU21
B	HOH103
F	PHE7
F	LEU21
F	MET22

---

site_id	AD7
Number of Residues	8
Details	binding site for Di-peptide ORN B 2 and LYS B 3

Chain	Residue
B	VAL1
B	LEU4
B	VAL5
B	LEU21
B	MET22
J	ASP10
J	ASN14
J	HEZ101

---

site_id	AD8
Number of Residues	7
Details	binding site for Di-peptide VAL C 1 and ORN C 2

Chain	Residue
C	LYS3
C	VAL5
C	PHE7
C	LEU21
C	MET22
C	HEZ101
G	HOH202

---

site_id	AD9
Number of Residues	10
Details	binding site for Di-peptide VAL C 1 and MET C 22

Chain	Residue
C	ORN2
C	LYS3
C	LEU4
C	VAL5
C	PHE7
C	LEU21
F	PHI6
G	SAR20
G	LEU21
G	MET22

---

site_id	AE1
Number of Residues	10
Details	binding site for Di-peptide ORN C 2 and LYS C 3

Chain	Residue
C	VAL1
C	LEU4
C	VAL5
C	LEU21
C	MET22
C	HEZ101
G	HOH202
I	ASP10
I	HEZ101
J	LYS3

---

site_id	AE2
Number of Residues	4
Details	binding site for Di-peptide VAL D 1 and ORN D 2

Chain	Residue
D	LYS3
D	PHE7
D	LEU21
D	MET22

---

site_id	AE3
Number of Residues	7
Details	binding site for Di-peptide VAL D 1 and MET D 22

Chain	Residue
A	SAR20
B	HOH104
D	ORN2
D	LYS3
D	LEU4
D	PHE7
D	LEU21

---

site_id	AE4
Number of Residues	5
Details	binding site for Di-peptide ORN D 2 and LYS D 3

Chain	Residue
D	VAL1
D	LEU4
D	VAL5
D	LEU21
D	MET22

---

site_id	AE5
Number of Residues	6
Details	binding site for Di-peptide VAL E 1 and ORN E 2

Chain	Residue
E	LYS3
E	LEU21
E	MET22
G	ASP10
G	GLY12
G	HOH201

---

site_id	AE6
Number of Residues	5
Details	binding site for Di-peptide VAL E 1 and MET E 22

Chain	Residue
E	ORN2
E	LYS3
E	LEU21
E	LEU21
G	VAL11

---

site_id	AE7
Number of Residues	8
Details	binding site for Di-peptide ORN E 2 and LYS E 3

Chain	Residue
E	VAL1
E	LEU4
E	VAL5
E	LEU21
E	MET22
G	ASP10
G	GLY12
G	HOH201

---

site_id	AE8
Number of Residues	4
Details	binding site for Di-peptide VAL G 1 and ORN G 2

Chain	Residue
G	LYS3
G	LEU21
G	MET22
G	HEZ101

---

site_id	AE9
Number of Residues	9
Details	binding site for Di-peptide VAL G 1 and MET G 22

Chain	Residue
C	PHE7
C	LEU21
C	MET22
G	ORN2
G	LYS3
G	LEU21
G	HEZ101
G	HOH202
G	HOH205

---

site_id	AF1
Number of Residues	5
Details	binding site for Di-peptide ORN G 2 and LYS G 3

Chain	Residue
G	VAL1
G	LEU4
G	VAL5
G	LEU21
G	MET22

---

site_id	AF2
Number of Residues	4
Details	binding site for Di-peptide VAL H 1 and MET H 22

Chain	Residue
H	ORN2
H	LYS3
H	PHE7
H	LEU21

---

site_id	AF3
Number of Residues	5
Details	binding site for Di-peptide VAL H 1 and ORN H 2

Chain	Residue
H	LYS3
H	PHE7
H	LEU21
H	MET22
H	HOH201

---

site_id	AF4
Number of Residues	6
Details	binding site for Di-peptide ORN H 2 and LYS H 3

Chain	Residue
H	VAL1
H	LEU4
H	VAL5
H	MET22
H	HEZ101
H	HOH201

---

site_id	AF5
Number of Residues	7
Details	binding site for Di-peptide VAL I 1 and MET I 22

Chain	Residue
I	ORN2
I	LYS3
I	VAL5
I	LEU21
I	HOH202
I	HOH202
J	HOH202

---

site_id	AF6
Number of Residues	6
Details	binding site for Di-peptide VAL I 1 and ORN I 2

Chain	Residue
I	LYS3
I	VAL5
I	LEU21
I	MET22
I	HOH202
I	HOH202

---

site_id	AF7
Number of Residues	5
Details	binding site for Di-peptide ORN I 2 and LYS I 3

Chain	Residue
I	VAL1
I	LEU4
I	MET22
J	GLU9
J	ASP10

---

site_id	AF8
Number of Residues	5
Details	binding site for Di-peptide VAL J 1 and MET J 22

Chain	Residue
J	ORN2
J	LYS3
J	LEU4
J	LEU21
J	HEZ102

---

site_id	AF9
Number of Residues	3
Details	binding site for Di-peptide VAL J 1 and ORN J 2

Chain	Residue
J	LYS3
J	LEU21
J	MET22

---

site_id	AG1
Number of Residues	5
Details	binding site for Di-peptide ORN J 2 and LYS J 3

Chain	Residue
C	LYS3
I	ASP10
J	VAL1
J	LEU4
J	MET22

---

site_id	AG2
Number of Residues	4
Details	binding site for Di-peptide VAL K 1 and MET K 22

Chain	Residue
F	ORN2
K	ORN2
K	LYS3
K	LEU21

---

site_id	AG3
Number of Residues	3
Details	binding site for Di-peptide VAL K 1 and ORN K 2

Chain	Residue
K	LYS3
K	LEU21
K	MET22

---

site_id	AG4
Number of Residues	4
Details	binding site for Di-peptide ORN K 2 and LYS K 3

Chain	Residue
K	VAL1
K	LEU4
K	LEU21
K	MET22

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	11
Details	BINDING: BINDING => ECO:0000269|PubMed:11274207, ECO:0000269|PubMed:26898943

Chain	Residue	Details
F	VAL1
G	VAL1
K	VAL1
H	VAL1
B	VAL1
I	VAL1
E	VAL1
A	VAL1
C	VAL1
D	VAL1
J	VAL1

---

site_id	SWS_FT_FI2
Number of Residues	11
Details	SITE: Cleavage; by alpha-secretase => ECO:0000305|PubMed:11851430

Chain	Residue	Details
F	LYS3
G	LYS3
K	LYS3
H	LYS3
B	LYS3
I	LYS3
E	LYS3
A	LYS3
C	LYS3
D	LYS3
J	LYS3

---

site_id	SWS_FT_FI3
Number of Residues	11
Details	SITE: Cleavage; by theta-secretase => ECO:0000269|PubMed:16816112

Chain	Residue	Details
F	PHI6
G	PHI6
K	PHI6
H	PHI6
B	PHI6
I	PHI6
E	PHI6
A	PHI6
C	PHI6
D	PHI6
J	PHI6

---

site_id	SWS_FT_FI4
Number of Residues	11
Details	SITE: Implicated in free radical propagation => ECO:0000250

Chain	Residue	Details
F	SAR20
G	SAR20
K	SAR20
H	SAR20
B	SAR20
I	SAR20
E	SAR20
A	SAR20
C	SAR20
D	SAR20
J	SAR20

---

site_id	SWS_FT_FI5
Number of Residues	11
Details	SITE: Susceptible to oxidation => ECO:0000269|PubMed:10535332

Chain	Residue	Details
F	MET22
G	MET22
K	MET22
H	MET22
B	MET22
I	MET22
E	MET22
A	MET22
C	MET22
D	MET22
J	MET22

---