6DR5

X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36 containing the I31Chg point mutation

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue MPD B 101

Chain	Residue
B	ORN1
B	ORN15
D	HOH101
F	ORN1
F	VAL3
F	ORN15

---

site_id	AC2
Number of Residues	4
Details	binding site for residue MPD B 102

Chain	Residue
E	VAL16
B	CYS2
B	VAL16
E	PHE4

---

site_id	AC3
Number of Residues	4
Details	binding site for residue MPD C 101

Chain	Residue
C	PHE4
C	VAL16
D	CYS2
D	PHE4

---

site_id	AC4
Number of Residues	11
Details	binding site for Di-peptide ORN B 1 and VAL B 16

Chain	Residue
B	CYS2
B	PHE4
B	LEU14
B	ORN15
B	MPD101
B	MPD102
B	HOH206
C	CYS6
C	GLU7
C	HOH201
C	HOH203

---

site_id	AC5
Number of Residues	12
Details	binding site for Di-peptide ORN B 1 and CYS B 2

Chain	Residue
B	VAL3
B	LEU14
B	ORN15
B	VAL16
B	MPD101
B	MPD102
B	HOH206
C	MEA5
C	CYS6
C	GLU7
C	HOH201
C	HOH203

---

site_id	AC6
Number of Residues	8
Details	binding site for Di-peptide PHE B 4 and MEA B 5

Chain	Residue
A	CYS2
A	VAL3
B	VAL3
B	CYS6
B	ILE12
B	GLY13
B	LEU14
B	VAL16

---

site_id	AC7
Number of Residues	9
Details	binding site for Di-peptide MEA B 5 and CYS B 6

Chain	Residue
A	ORN1
A	CYS2
A	VAL3
B	PHE4
B	GLU7
B	ALA10
B	CHG11
B	ILE12
F	VAL16

---

site_id	AC8
Number of Residues	7
Details	binding site for Di-peptide ASP B 8 and ORN B 9

Chain	Residue
B	GLU7
B	ALA10
B	HOH202
B	HOH204
B	HOH207
F	ORN15
F	HOH102

---

site_id	AC9
Number of Residues	8
Details	binding site for Di-peptide ORN B 9 and ALA B 10

Chain	Residue
B	CYS6
B	GLU7
B	ASP8
B	CHG11
B	ILE12
B	HOH202
E	ILE12
E	GLY13

---

site_id	AD1
Number of Residues	7
Details	binding site for Di-peptide ALA B 10 and CHG B 11

Chain	Residue
B	CYS6
B	GLU7
B	ASP8
B	ORN9
B	ILE12
E	ILE12
E	GLY13

---

site_id	AD2
Number of Residues	8
Details	binding site for Di-peptide CHG B 11 and ILE B 12

Chain	Residue
B	PHE4
B	MEA5
B	CYS6
B	ALA10
B	GLY13
B	LEU14
D	ALA10
E	GLY13

---

site_id	AD3
Number of Residues	12
Details	binding site for Di-peptide LEU B 14 and ORN B 15

Chain	Residue
B	CYS2
B	VAL3
B	PHE4
B	ILE12
B	GLY13
B	VAL16
B	MPD101
B	HOH203
B	HOH205
D	GLU7
D	ORN9
D	HOH103

---

site_id	AD4
Number of Residues	10
Details	binding site for Di-peptide ORN B 15 and VAL B 16

Chain	Residue
B	LEU14
B	MPD101
B	MPD102
B	HOH203
B	HOH205
D	GLU7
D	HOH103
B	ORN1
B	CYS2
B	PHE4

---

site_id	AD5
Number of Residues	8
Details	binding site for Di-peptide ORN C 1 and VAL C 16

Chain	Residue
A	CYS6
A	GLU7
A	HOH102
C	CYS2
C	PHE4
C	LEU14
C	ORN15
C	MPD101

---

site_id	AD6
Number of Residues	8
Details	binding site for Di-peptide ORN C 1 and CYS C 2

Chain	Residue
A	MEA5
A	CYS6
A	GLU7
A	HOH102
C	VAL3
C	LEU14
C	ORN15
C	VAL16

---

site_id	AD7
Number of Residues	9
Details	binding site for Di-peptide PHE C 4 and MEA C 5

Chain	Residue
B	CYS2
B	VAL3
C	VAL3
C	CYS6
C	ILE12
C	GLY13
C	LEU14
C	VAL16
C	MPD101

---

site_id	AD8
Number of Residues	10
Details	binding site for Di-peptide MEA C 5 and CYS C 6

Chain	Residue
B	ORN1
B	CYS2
B	VAL3
C	PHE4
C	GLU7
C	ASP8
C	ALA10
C	CHG11
C	ILE12
C	LEU14

---

site_id	AD9
Number of Residues	4
Details	binding site for Di-peptide ASP C 8 and ORN C 9

Chain	Residue
C	CYS6
C	GLU7
C	ALA10
C	HOH202

---

site_id	AE1
Number of Residues	8
Details	binding site for Di-peptide ORN C 9 and ALA C 10

Chain	Residue
C	CYS6
C	GLU7
C	ASP8
C	CHG11
C	ILE12
C	HOH202
F	ILE12
F	GLY13

---

site_id	AE2
Number of Residues	7
Details	binding site for Di-peptide ALA C 10 and CHG C 11

Chain	Residue
C	CYS6
C	GLU7
C	ASP8
C	ORN9
C	ILE12
F	ILE12
F	GLY13

---

site_id	AE3
Number of Residues	8
Details	binding site for Di-peptide CHG C 11 and ILE C 12

Chain	Residue
A	ALA10
C	PHE4
C	MEA5
C	CYS6
C	ALA10
C	GLY13
C	LEU14
F	GLY13

---

site_id	AE4
Number of Residues	10
Details	binding site for Di-peptide LEU C 14 and ORN C 15

Chain	Residue
A	GLU7
A	ORN9
A	HOH101
C	CYS2
C	VAL3
C	PHE4
C	CYS6
C	ILE12
C	GLY13
C	VAL16

---

site_id	AE5
Number of Residues	9
Details	binding site for Di-peptide ORN C 15 and VAL C 16

Chain	Residue
A	GLU7
A	ORN9
A	HOH101
C	ORN1
C	CYS2
C	PHE4
C	GLY13
C	LEU14
C	MPD101

---

site_id	AE6
Number of Residues	9
Details	binding site for Di-peptide ORN D 1 and CYS D 2

Chain	Residue
C	MPD101
D	VAL3
D	LEU14
D	ORN15
D	VAL16
E	MEA5
E	CYS6
E	GLU7
E	HOH101

---

site_id	AE7
Number of Residues	6
Details	binding site for Di-peptide ORN D 1 and VAL D 16

Chain	Residue
D	CYS2
D	LEU14
D	ORN15
E	CYS6
E	GLU7
E	HOH101

---

site_id	AE8
Number of Residues	8
Details	binding site for Di-peptide PHE D 4 and MEA D 5

Chain	Residue
C	MPD101
D	VAL3
D	CYS6
D	ILE12
D	GLY13
D	LEU14
F	CYS2
F	VAL3

---

site_id	AE9
Number of Residues	10
Details	binding site for Di-peptide MEA D 5 and CYS D 6

Chain	Residue
A	VAL16
D	PHE4
D	GLU7
D	ASP8
D	ALA10
D	CHG11
D	ILE12
F	ORN1
F	CYS2
F	VAL3

---

site_id	AF1
Number of Residues	6
Details	binding site for Di-peptide ASP D 8 and ORN D 9

Chain	Residue
B	LEU14
D	CYS6
D	GLU7
D	ALA10
D	HOH103
D	HOH104

---

site_id	AF2
Number of Residues	9
Details	binding site for Di-peptide ORN D 9 and ALA D 10

Chain	Residue
B	ILE12
B	GLY13
B	LEU14
D	CYS6
D	GLU7
D	ASP8
D	CHG11
D	ILE12
D	HOH103

---

site_id	AF3
Number of Residues	7
Details	binding site for Di-peptide ALA D 10 and CHG D 11

Chain	Residue
B	ILE12
B	GLY13
D	CYS6
D	GLU7
D	ASP8
D	ORN9
D	ILE12

---

site_id	AF4
Number of Residues	7
Details	binding site for Di-peptide CHG D 11 and ILE D 12

Chain	Residue
B	GLY13
D	PHE4
D	MEA5
D	CYS6
D	ALA10
D	GLY13
E	ALA10

---

site_id	AF5
Number of Residues	7
Details	binding site for Di-peptide LEU D 14 and ORN D 15

Chain	Residue
A	ORN1
A	VAL16
D	CYS2
D	VAL3
D	PHE4
D	GLY13
D	VAL16

---

site_id	AF6
Number of Residues	3
Details	binding site for Di-peptide ORN D 15 and VAL D 16

Chain	Residue
D	ORN1
D	CYS2
D	LEU14

---

site_id	AF7
Number of Residues	11
Details	binding site for Di-peptide ORN E 1 and CYS E 2

Chain	Residue
E	VAL3
E	PHE4
E	LEU14
E	ORN15
E	VAL16
E	HOH103
E	HOH104
F	MEA5
F	CYS6
F	GLU7
F	HOH101

---

site_id	AF8
Number of Residues	9
Details	binding site for Di-peptide ORN E 1 and VAL E 16

Chain	Residue
B	MPD102
E	CYS2
E	LEU14
E	ORN15
E	HOH103
E	HOH104
F	CYS6
F	GLU7
F	HOH101

---

site_id	AF9
Number of Residues	9
Details	binding site for Di-peptide PHE E 4 and MEA E 5

Chain	Residue
B	MPD102
D	CYS2
D	VAL3
E	CYS2
E	VAL3
E	CYS6
E	ILE12
E	GLY13
E	LEU14

---

site_id	AG1
Number of Residues	10
Details	binding site for Di-peptide MEA E 5 and CYS E 6

Chain	Residue
D	ORN1
D	CYS2
D	VAL3
E	PHE4
E	GLU7
E	ASP8
E	ALA10
E	CHG11
E	ILE12
E	GLY13

---

site_id	AG2
Number of Residues	5
Details	binding site for Di-peptide ASP E 8 and ORN E 9

Chain	Residue
E	CYS6
E	GLU7
E	ALA10
E	ILE12
E	HOH102

---

site_id	AG3
Number of Residues	7
Details	binding site for Di-peptide ORN E 9 and ALA E 10

Chain	Residue
D	ILE12
D	GLY13
E	CYS6
E	GLU7
E	ASP8
E	CHG11
E	HOH102

---

site_id	AG4
Number of Residues	7
Details	binding site for Di-peptide ALA E 10 and CHG E 11

Chain	Residue
D	ILE12
D	GLY13
E	CYS6
E	GLU7
E	ASP8
E	ORN9
E	ILE12

---

site_id	AG5
Number of Residues	8
Details	binding site for Di-peptide CHG E 11 and ILE E 12

Chain	Residue
B	ALA10
D	GLY13
E	PHE4
E	MEA5
E	CYS6
E	ASP8
E	ALA10
E	GLY13

---

site_id	AG6
Number of Residues	7
Details	binding site for Di-peptide LEU E 14 and ORN E 15

Chain	Residue
B	GLU7
B	HOH202
E	CYS2
E	VAL3
E	PHE4
E	GLY13
E	VAL16

---

site_id	AG7
Number of Residues	6
Details	binding site for Di-peptide ORN E 15 and VAL E 16

Chain	Residue
B	GLU7
B	MPD102
B	HOH202
E	ORN1
E	CYS2
E	LEU14

---

site_id	AG8
Number of Residues	15
Details	binding site for Di-peptide ORN F 1 and CYS F 2

Chain	Residue
A	ORN1
A	CYS2
A	VAL16
B	GLU7
B	MPD101
B	HOH204
D	MEA5
D	CYS6
D	GLU7
D	HOH101
F	VAL3
F	PHE4
F	LEU14
F	ORN15
F	VAL16

---

site_id	AG9
Number of Residues	12
Details	binding site for Di-peptide ORN F 1 and VAL F 16

Chain	Residue
A	ORN1
A	CYS2
B	CYS6
B	GLU7
B	MPD101
B	HOH204
D	CYS6
D	GLU7
D	HOH101
F	CYS2
F	LEU14
F	ORN15

---

site_id	AH1
Number of Residues	8
Details	binding site for Di-peptide PHE F 4 and MEA F 5

Chain	Residue
E	CYS2
E	VAL3
F	CYS2
F	VAL3
F	CYS6
F	ILE12
F	GLY13
F	LEU14

---

site_id	AH2
Number of Residues	8
Details	binding site for Di-peptide MEA F 5 and CYS F 6

Chain	Residue
E	ORN1
E	CYS2
E	VAL3
F	PHE4
F	GLU7
F	ALA10
F	CHG11
F	ILE12

---

site_id	AH3
Number of Residues	4
Details	binding site for Di-peptide ASP F 8 and ORN F 9

Chain	Residue
A	LEU14
A	ORN15
F	GLU7
F	ALA10

---

site_id	AH4
Number of Residues	8
Details	binding site for Di-peptide ORN F 9 and ALA F 10

Chain	Residue
A	GLY13
A	LEU14
A	ORN15
F	CYS6
F	GLU7
F	ASP8
F	CHG11
F	ILE12

---

site_id	AH5
Number of Residues	6
Details	binding site for Di-peptide ALA F 10 and CHG F 11

Chain	Residue
A	GLY13
F	CYS6
F	GLU7
F	ASP8
F	ORN9
F	ILE12

---

site_id	AH6
Number of Residues	7
Details	binding site for Di-peptide CHG F 11 and ILE F 12

Chain	Residue
A	GLY13
C	ALA10
F	PHE4
F	MEA5
F	CYS6
F	ALA10
F	GLY13

---

site_id	AH7
Number of Residues	13
Details	binding site for Di-peptide LEU F 14 and ORN F 15

Chain	Residue
B	ASP8
B	MPD101
B	HOH204
C	GLU7
C	HOH202
F	ORN1
F	CYS2
F	VAL3
F	PHE4
F	GLY13
F	VAL16
F	HOH102
F	HOH103

---

site_id	AH8
Number of Residues	12
Details	binding site for Di-peptide ORN F 15 and VAL F 16

Chain	Residue
A	CYS2
B	CYS6
B	ASP8
B	MPD101
B	HOH204
C	GLU7
C	HOH202
F	ORN1
F	CYS2
F	LEU14
F	HOH102
F	HOH103

---