4J54

Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical isolate PR20 with the potent antiviral inhibitor GRL-0519A

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004190	molecular_function	aspartic-type endopeptidase activity
A	0006508	biological_process	proteolysis
B	0004190	molecular_function	aspartic-type endopeptidase activity
B	0006508	biological_process	proteolysis

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	BINDING SITE FOR RESIDUE G52 A 201

Chain	Residue
A	ASP25
B	GLY27
B	ALA28
B	ASP29
B	ASN30
B	ILE32
B	GLY48
B	GLY49
B	ILE50
B	VAL82
B	HOH1001
A	GLY27
A	ALA28
A	ASP29
A	ASN30
A	GLY48
A	ILE50
A	VAL82
B	ASP25

---

site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD A 202

Chain	Residue
A	ASP35
A	ASN83

---

site_id	AC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD A 203

Chain	Residue
B	G52101

---

site_id	AC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD A 204

Chain	Residue
A	ACT216

---

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD A 205

Chain	Residue
A	THR12
A	IOD206

---

site_id	AC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD A 206

Chain	Residue
A	IOD205

---

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD A 207

Chain	Residue
A	GLU21
A	ASN83

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE IOD A 208

Chain	Residue
A	GLU21
A	VAL82
A	HOH340
B	ARG8

---

site_id	AC9
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD A 209

Chain	Residue
A	GLU65

---

site_id	BC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD A 210

Chain	Residue
A	THR4

---

site_id	BC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD A 211

Chain	Residue
B	ARG8

---

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE IOD A 212

Chain	Residue
A	LYS14
A	GLY16
A	GLY17
A	PRO63
A	HOH344

---

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD A 214

Chain	Residue
A	PRO44
A	HOH338

---

site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD A 215

Chain	Residue
A	GLN61
A	HOH341

---

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT A 216

Chain	Residue
A	PHE53
A	ARG57
A	IOD204

---

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE G52 B 101

Chain	Residue
A	IOD203
B	VAL56
B	THR91
B	GLY94
B	HOH1024

---

site_id	BC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD B 102

Chain	Residue
B	ASP35
B	GLY78

---

site_id	BC9
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD B 103

Chain	Residue
B	GLU21

---

site_id	CC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD B 106

Chain	Residue
B	ALA67

---

site_id	CC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE IOD B 107

Chain	Residue
B	THR12
B	HOH1041
B	HOH1042

---

site_id	CC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD B 108

Chain	Residue
B	MET46

---

site_id	CC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD B 109

Chain	Residue
B	PRO39
B	GLY40

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ALA22-PHE33

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	138
Details	Domain: {"description":"Peptidase A2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00275","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	20
Details	Region: {"description":"Dimerization of protease","evidences":[{"source":"UniProtKB","id":"P04585","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Active site: {"description":"For protease activity; shared with dimeric partner","evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---