Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4OR5

Crystal structure of HIV-1 Tat complexed with human P-TEFb and AFF4

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation
B	0006357	biological_process	regulation of transcription by RNA polymerase II
B	0016538	molecular_function	cyclin-dependent protein serine/threonine kinase regulator activity
C	0001070	molecular_function	RNA-binding transcription regulator activity
C	0042025	cellular_component	host cell nucleus
C	0050434	biological_process	positive regulation of viral transcription
E	0010468	biological_process	regulation of gene expression
F	0004672	molecular_function	protein kinase activity
F	0005524	molecular_function	ATP binding
F	0006468	biological_process	protein phosphorylation
G	0006357	biological_process	regulation of transcription by RNA polymerase II
G	0016538	molecular_function	cyclin-dependent protein serine/threonine kinase regulator activity
H	0001070	molecular_function	RNA-binding transcription regulator activity
H	0042025	cellular_component	host cell nucleus
H	0050434	biological_process	positive regulation of viral transcription
J	0010468	biological_process	regulation of gene expression

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE YT3 A 401

Chain	Residue
A	ASP149
A	ASP167
A	HOH521
A	HOH527

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE YT3 A 402

Chain	Residue
A	ASP305
A	ASP308
A	HOH514

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE YT3 A 403

Chain	Residue
A	HOH505
B	ASP169
B	YT3302
E	YT3101
A	GLU266
A	LYS269

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 404

Chain	Residue
A	LYS48
A	GLU66
A	PHE103
A	ALA166
A	ASP167

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE YT3 B 301

Chain	Residue
B	ASP169
B	GLN172
B	HOH410
E	ARG69
E	YT3101

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE YT3 B 302

Chain	Residue
A	GLU266
A	YT3403
B	ASP169
E	ASP64
E	YT3101

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE YT3 B 303

Chain	Residue
B	GLU17
B	GLU20
B	GLU240
B	GLN243

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 304

Chain	Residue
B	SER167
B	LEU170
B	TRP210
E	TYR59
E	LYS63

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 101

Chain	Residue
C	CYS22
C	HIS33
C	CYS34
C	CYS37

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 102

Chain	Residue
B	CYS261
C	CYS25
C	CYS27
C	CYS30

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE YT3 E 101

Chain	Residue
A	GLU263
A	GLU266
A	YT3403
A	HOH502
B	YT3301
B	YT3302
E	ARG69

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE YT3 E 102

Chain	Residue
A	GLU251
E	GLU37

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE YT3 F 401

Chain	Residue
A	ASN311
A	HOH501
F	ASP305
F	ASP307
F	ASP308

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE YT3 F 402

Chain	Residue
F	ASP149
F	ASP167
F	HOH501
F	HOH502

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE YT3 F 403

Chain	Residue
B	GLU124
F	GLU15

site_id	BC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE YT3 F 404

Chain	Residue
F	GLU263
F	GLU266

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 F 405

Chain	Residue
F	LYS48
F	PHE103
F	ALA166
F	ASP167

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE YT3 G 301

Chain	Residue
G	GLU17
G	GLU20
G	GLU240
G	GLN243
G	HOH412

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE YT3 G 302

Chain	Residue
G	ASP169
G	GLN172
J	ARG69
J	YT3101
J	HOH201

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE YT3 G 303

Chain	Residue
G	ASP169
J	ASP64
J	YT3101
J	HOH202

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 G 304

Chain	Residue
G	SER167
G	ASP169
G	LEU170
G	TRP210
J	TYR59
J	LYS63

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN H 101

Chain	Residue
H	CYS22
H	HIS33
H	CYS34
H	CYS37

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN H 102

Chain	Residue
G	CYS261
H	CYS25
H	CYS27
H	CYS30

site_id	CC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE YT3 J 101

Chain	Residue
G	YT3302
G	YT3303
J	ARG69

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	24
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGQGTFGEVFkArhrktgqk..........VALK

Chain	Residue	Details
A	ILE25-LYS48

site_id	PS00108
Number of Residues	13
Details	PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IlHrDMKaaNVLI

Chain	Residue	Details
A	ILE145-ILE157

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"18566585","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine; by EP300/CBP, PCAF/KAT2B and GCN5/KAT2A","evidences":[{"source":"PubMed","id":"17452463","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18250157","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine; by PCAF/KAT2B and GCN5/KAT2A","evidences":[{"source":"PubMed","id":"18250157","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"28426094","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"21533037","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	2
Details	Modified residue: {"description":"Phosphothreonine; by CaMK1D","evidences":[{"source":"PubMed","id":"15965233","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18483222","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18566585","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18829461","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20535204","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20851342","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21448926","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21779453","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21406692","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	2
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI10
Number of Residues	2
Details	Site: {"description":"Essential for interacting with HIV-1 Tat"}

Chain

Residue

Details

site_id	SWS_FT_FI11
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI12
Number of Residues	94
Details	Region: {"description":"Transactivation","evidences":[{"source":"HAMAP-Rule","id":"MF_04079","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI13
Number of Residues	46
Details	Region: {"description":"Interaction with human CREBBP","evidences":[{"source":"HAMAP-Rule","id":"MF_04079","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI14
Number of Residues	30
Details	Region: {"description":"Cysteine-rich","evidences":[{"source":"HAMAP-Rule","id":"MF_04079","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI15
Number of Residues	20
Details	Region: {"description":"Core","evidences":[{"source":"HAMAP-Rule","id":"MF_04079","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI16
Number of Residues	14
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_04079","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"20535204","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24727379","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI17
Number of Residues	2
Details	Site: {"description":"Essential for Tat translocation through the endosomal membrane","evidences":[{"source":"HAMAP-Rule","id":"MF_04079","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI18
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine; by host PCAF","evidences":[{"source":"HAMAP-Rule","id":"MF_04079","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)