3LDI

Crystal structure of aprotinin in complex with sucrose octasulfate: unusual interactions and implication for heparin binding

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004867	molecular_function	serine-type endopeptidase inhibitor activity
B	0004867	molecular_function	serine-type endopeptidase inhibitor activity
C	0004867	molecular_function	serine-type endopeptidase inhibitor activity
D	0004867	molecular_function	serine-type endopeptidase inhibitor activity
E	0004867	molecular_function	serine-type endopeptidase inhibitor activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 59

Chain	Residue
A	GLU7
A	ARG42
A	HOH89
A	HOH144

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 60

Chain	Residue
A	ILE18
A	ARG20
A	LYS46
A	HOH106

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 61

Chain	Residue
A	HOH75
E	PRO2
E	ASP3
E	HOH69
A	PRO2

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 62

Chain	Residue
A	ARG42
A	HOH85
E	ARG1

---

site_id	AC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE HG A 63

Chain	Residue
A	CYS30

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 59

Chain	Residue
B	GLU7
B	LYS41
B	ARG42
B	HOH78
B	HOH86

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 60

Chain	Residue
B	ILE18
B	ARG20
B	HOH134
C	HOH178
C	HOH183

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 61

Chain	Residue
B	LYS26
B	ARG42
B	HOH68
D	HOH174

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 B 62

Chain	Residue
B	CYS14
B	CYS38
B	GOL63
C	PRO9
C	PHE22
C	PHE33
C	HOH63

---

site_id	BC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE GOL B 63

Chain	Residue
B	SO462

---

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE HG B 64

Chain	Residue
B	CYS30
E	ARG53

---

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 59

Chain	Residue
C	LYS41
C	ARG42
C	HOH156

---

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 60

Chain	Residue
C	ILE18
C	ARG20
C	LYS46

---

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL C 61

Chain	Residue
C	ARG1
C	ARG42
C	HOH75

---

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE HG C 62

Chain	Residue
B	HOH84
C	CYS30

---

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 59

Chain	Residue
D	GLU7
D	ARG42
D	HOH88
D	HOH163

---

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 60

Chain	Residue
D	ILE18
D	ARG20
D	LYS46
D	HOH93

---

site_id	BC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 D 61

Chain	Residue
C	LYS46
C	SER47
C	ALA48
C	GLU49
C	HOH108
D	TYR21
D	SER47
D	ALA48

---

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 62

Chain	Residue
D	ARG42
D	HOH65
D	HOH77
E	LYS26

---

site_id	CC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE HG D 63

Chain	Residue
D	LEU29
D	CYS30

---

site_id	CC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 59

Chain	Residue
E	GLU7
E	LYS41
E	ARG42
E	HOH111

---

site_id	CC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 E 60

Chain	Residue
A	ILE19
A	HOH145
E	ILE18
E	ARG20
E	HOH141

---

site_id	CC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 E 61

Chain	Residue
A	LYS46
A	HOH84
B	TYR21
B	ALA48
E	SER47
E	ALA48
E	GLU49

---

site_id	CC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 62

Chain	Residue
D	LYS26
E	ARG42
E	HOH69
E	HOH180

---

site_id	CC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE HG E 63

Chain	Residue
E	CYS30
E	HOH100

---

Functional Information from PROSITE/UniProt

site_id	PS00280
Number of Residues	19
Details	BPTI_KUNITZ_1 Pancreatic trypsin inhibitor (Kunitz) family signature. FvyGGCrakrnnFksaedC

Chain	Residue	Details
A	PHE33-CYS51

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	250
Details	Domain: {"description":"BPTI/Kunitz inhibitor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00031","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	5
Details	Site: {"description":"Reactive bond for trypsin"}

Chain

Residue

Details

---