6VKV

Co-crystal structure of GS-6207 bound to HIV-1 capsid hexamer

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016032	biological_process	viral process
B	0016032	biological_process	viral process
C	0016032	biological_process	viral process

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	binding site for residue QNG A 301

Chain	Residue
A	ASN53
A	ILE73
A	ASN74
A	ALA105
A	THR107
A	TYR130
A	HOH411
A	HOH413
B	ILE37
B	PRO38
B	SER41
A	THR54
B	TYR169
B	LEU172
B	ARG173
B	GLN179
B	LYS182
B	HOH425
A	LEU56
A	ASN57
A	GLN63
A	MET66
A	GLN67
A	LEU69
A	LYS70

---

site_id	AC2
Number of Residues	1
Details	binding site for residue IOD A 303

Chain	Residue
B	ARG18

---

site_id	AC3
Number of Residues	2
Details	binding site for residue IOD A 304

Chain	Residue
A	ARG18
B	PRO17

---

site_id	AC4
Number of Residues	3
Details	binding site for residue CL A 306

Chain	Residue
A	ASN53
A	GLY106
A	HOH466

---

site_id	AC5
Number of Residues	2
Details	binding site for residue CL A 307

Chain	Residue
A	ARG162
A	HOH430

---

site_id	AC6
Number of Residues	1
Details	binding site for residue CL A 308

Chain	Residue
B	ARG18

---

site_id	AC7
Number of Residues	24
Details	binding site for residue QNG B 301

Chain	Residue
A	ILE37
A	PRO38
A	SER41
A	TYR169
A	LEU172
A	ARG173
A	GLN179
A	LYS182
B	ASN53
B	THR54
B	LEU56
B	ASN57
B	GLN63
B	MET66
B	GLN67
B	LEU69
B	LYS70
B	ILE73
B	ASN74
B	ALA105
B	THR107
B	TYR130
B	HOH408
B	HOH443

---

site_id	AC8
Number of Residues	2
Details	binding site for residue IOD B 302

Chain	Residue
A	GLN95
B	LYS158

---

site_id	AC9
Number of Residues	4
Details	binding site for residue CL B 303

Chain	Residue
B	GLN50
B	ASN53
B	GLY106
B	HOH463

---

site_id	AD1
Number of Residues	3
Details	binding site for residue CL B 304

Chain	Residue
B	ARG162
B	GLN219
B	HOH416

---

site_id	AD2
Number of Residues	3
Details	binding site for residue CL B 306

Chain	Residue
A	ARG18
B	PRO17
B	ARG18

---

site_id	AD3
Number of Residues	28
Details	binding site for residue QNG C 301

Chain	Residue
C	ILE37
C	PRO38
C	SER41
C	GLN50
C	ASN53
C	THR54
C	LEU56
C	ASN57
C	GLN63
C	MET66
C	GLN67
C	LEU69
C	LYS70
C	ILE73
C	ASN74
C	ALA105
C	THR107
C	TYR130
C	ILE135
C	TYR169
C	LEU172
C	ARG173
C	GLN179
C	LYS182
C	ASN183
C	CL308
C	HOH411
C	HOH439

---

site_id	AD4
Number of Residues	2
Details	binding site for residue CL C 304

Chain	Residue
C	MET215
C	ARG162

---

site_id	AD5
Number of Residues	4
Details	binding site for residue CL C 305

Chain	Residue
C	GLN50
C	ASN53
C	GLY106
C	HOH481

---

site_id	AD6
Number of Residues	1
Details	binding site for residue CL C 306

Chain	Residue
C	PRO17

---

site_id	AD7
Number of Residues	2
Details	binding site for residue CL C 308

Chain	Residue
C	QNG301
C	HOH436

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI2
Number of Residues	114
Details	Region: {"description":"Interaction with human PPIA/CYPA and NUP153","evidences":[{"source":"PubMed","id":"24130490","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8980234","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	24
Details	Region: {"description":"PPIA/CYPA-binding loop","evidences":[{"source":"UniProtKB","id":"P04591","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	Modified residue: {"description":"Phosphoserine; by host MAPK1","evidences":[{"source":"PubMed","id":"24509437","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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