6O5X

Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with substrate analog CA-p2

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004190	molecular_function	aspartic-type endopeptidase activity
A	0006508	biological_process	proteolysis
A	0008233	molecular_function	peptidase activity
A	0016787	molecular_function	hydrolase activity
A	0055036	cellular_component	virion membrane
A	0072494	cellular_component	host multivesicular body
B	0004190	molecular_function	aspartic-type endopeptidase activity
B	0006508	biological_process	proteolysis
B	0008233	molecular_function	peptidase activity
B	0016787	molecular_function	hydrolase activity
B	0055036	cellular_component	virion membrane
B	0072494	cellular_component	host multivesicular body
C	0004190	molecular_function	aspartic-type endopeptidase activity
C	0006508	biological_process	proteolysis
C	0008233	molecular_function	peptidase activity
C	0016787	molecular_function	hydrolase activity
C	0055036	cellular_component	virion membrane
C	0072494	cellular_component	host multivesicular body
D	0004190	molecular_function	aspartic-type endopeptidase activity
D	0006508	biological_process	proteolysis
D	0008233	molecular_function	peptidase activity
D	0016787	molecular_function	hydrolase activity
D	0055036	cellular_component	virion membrane
D	0072494	cellular_component	host multivesicular body

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	binding site for residue CL A 101

Chain	Residue
A	ARG8
B	HOH239

---

site_id	AC2
Number of Residues	2
Details	binding site for residue CL A 102

Chain	Residue
A	GLY40
A	ARG41

---

site_id	AC3
Number of Residues	2
Details	binding site for residue CL A 103

Chain	Residue
A	VAL48
B	0Q4101

---

site_id	AC4
Number of Residues	2
Details	binding site for residue CL A 104

Chain	Residue
A	THR12
A	ALA67

---

site_id	AC5
Number of Residues	29
Details	binding site for residue 0Q4 B 101

Chain	Residue
A	LEU23
A	ASP25
A	GLY27
A	ALA28
A	ASP29
A	ASP30
A	VAL48
A	GLY49
A	CL103
B	ARG8
B	ASP25
B	GLY27
B	ALA28
B	ASP29
B	ASP30
B	LEU46
B	ILE47
B	VAL48
B	GLY49
B	ILE50
B	SER82
B	HOH203
B	HOH205
B	HOH230
B	HOH235
D	LYS45
D	LEU46
D	0Q4101
A	ARG8

---

site_id	AC6
Number of Residues	3
Details	binding site for residue CL B 102

Chain	Residue
B	GLY73
B	THR74
B	ASN88

---

site_id	AC7
Number of Residues	2
Details	binding site for residue CL B 103

Chain	Residue
B	VAL54
B	LYS55

---

site_id	AC8
Number of Residues	2
Details	binding site for residue NA B 104

Chain	Residue
B	GLN61
B	HOH209

---

site_id	AC9
Number of Residues	3
Details	binding site for residue CL C 101

Chain	Residue
C	THR4
C	TRP6
C	GLN7

---

site_id	AD1
Number of Residues	2
Details	binding site for residue CL C 102

Chain	Residue
B	LEU46
C	ARG8

---

site_id	AD2
Number of Residues	3
Details	binding site for residue CL C 103

Chain	Residue
C	ILE47
C	VAL48
D	0Q4101

---

site_id	AD3
Number of Residues	2
Details	binding site for residue CL C 104

Chain	Residue
C	ARG8
D	HOH232

---

site_id	AD4
Number of Residues	1
Details	binding site for residue CL C 105

Chain	Residue
C	THR12

---

site_id	AD5
Number of Residues	33
Details	binding site for residue 0Q4 D 101

Chain	Residue
B	LYS45
B	LEU46
B	0Q4101
C	ARG8
C	LEU23
C	ASP25
C	GLY27
C	ALA28
C	ASP29
C	VAL48
C	GLY49
C	CL103
C	HOH220
D	ARG8
D	LEU23
D	ASP25
D	GLY27
D	ALA28
D	ASP29
D	ASP30
D	LEU46
D	ILE47
D	VAL48
D	GLY49
D	ILE50
D	PRO81
D	SER82
D	HOH201
D	HOH202
D	HOH203
D	HOH204
D	HOH207
D	HOH210

---

site_id	AD6
Number of Residues	2
Details	binding site for residue CL D 102

Chain	Residue
D	THR74
D	ASN88

---

Functional Information from PROSITE/UniProt

site_id	PS00141
Number of Residues	12
Details	ASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTVL

Chain	Residue	Details
A	ALA22-LEU33

---