Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4BN5

Structure of human SIRT3 in complex with SRT1720 inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0017136	molecular_function	histone deacetylase activity, NAD-dependent
A	0051287	molecular_function	NAD binding
A	0070403	molecular_function	NAD+ binding
B	0017136	molecular_function	histone deacetylase activity, NAD-dependent
B	0051287	molecular_function	NAD binding
B	0070403	molecular_function	NAD+ binding
C	0017136	molecular_function	histone deacetylase activity, NAD-dependent
C	0051287	molecular_function	NAD binding
C	0070403	molecular_function	NAD+ binding
D	0017136	molecular_function	histone deacetylase activity, NAD-dependent
D	0051287	molecular_function	NAD binding
D	0070403	molecular_function	NAD+ binding
E	0017136	molecular_function	histone deacetylase activity, NAD-dependent
E	0051287	molecular_function	NAD binding
E	0070403	molecular_function	NAD+ binding
F	0017136	molecular_function	histone deacetylase activity, NAD-dependent
F	0051287	molecular_function	NAD binding
F	0070403	molecular_function	NAD+ binding
G	0017136	molecular_function	histone deacetylase activity, NAD-dependent
G	0051287	molecular_function	NAD binding
G	0070403	molecular_function	NAD+ binding
H	0017136	molecular_function	histone deacetylase activity, NAD-dependent
H	0051287	molecular_function	NAD binding
H	0070403	molecular_function	NAD+ binding
I	0017136	molecular_function	histone deacetylase activity, NAD-dependent
I	0051287	molecular_function	NAD binding
I	0070403	molecular_function	NAD+ binding
J	0017136	molecular_function	histone deacetylase activity, NAD-dependent
J	0051287	molecular_function	NAD binding
J	0070403	molecular_function	NAD+ binding
K	0017136	molecular_function	histone deacetylase activity, NAD-dependent
K	0051287	molecular_function	NAD binding
K	0070403	molecular_function	NAD+ binding
L	0017136	molecular_function	histone deacetylase activity, NAD-dependent
L	0051287	molecular_function	NAD binding
L	0070403	molecular_function	NAD+ binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	23
Details	BINDING SITE FOR RESIDUE CNA A 1395

Chain	Residue
A	ALA146
A	ILE230
A	ASP231
A	HIS248
A	GLY319
A	THR320
A	SER321
A	VAL324
A	ASN344
A	ARG345
A	ASP346
A	GLY147
A	GLY364
A	ASP365
A	VAL366
A	SR71396
A	SER149
A	THR150
A	ILE154
A	ASP156
A	ARG158
A	GLN228
A	ASN229

site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SR7 A 1396

Chain	Residue
A	PRO155
A	ASP156
A	PHE157
A	ARG158
A	GLU177
A	PHE180
A	HIS248
A	VAL292
A	PHE294
A	CNA1395

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 1397

Chain	Residue
A	CYS256
A	CYS259
A	CYS280
A	CYS283

site_id	AC4
Number of Residues	21
Details	BINDING SITE FOR RESIDUE CNA B 1395

Chain	Residue
B	ALA146
B	GLY147
B	SER149
B	THR150
B	ILE154
B	ASP156
B	ARG158
B	GLN228
B	ASN229
B	ILE230
B	ASP231
B	HIS248
B	GLY319
B	THR320
B	SER321
B	ASN344
B	ARG345
B	ASP346
B	GLY364
B	VAL366
B	SR71396

site_id	AC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SR7 B 1396

Chain	Residue
B	PRO155
B	ASP156
B	PHE157
B	ARG158
B	PHE180
B	HIS248
B	VAL292
B	PHE294
B	CNA1395

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 1397

Chain	Residue
B	CYS256
B	CYS259
B	CYS280
B	CYS283

site_id	AC7
Number of Residues	21
Details	BINDING SITE FOR RESIDUE CNA C 1395

Chain	Residue
C	ALA146
C	GLY147
C	THR150
C	ILE154
C	ASP156
C	ARG158
C	GLN228
C	ILE230
C	ASP231
C	HIS248
C	GLY319
C	THR320
C	SER321
C	VAL324
C	ASN344
C	ARG345
C	ASP346
C	GLY364
C	ASP365
C	VAL366
C	SR71397

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL C 1396

Chain	Residue
A	ARG301
C	ARG301

site_id	AC9
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SR7 C 1397

Chain	Residue
C	ILE230
C	HIS248
C	VAL292
C	PHE294
C	CNA1395
C	PRO155
C	ASP156
C	PHE157
C	ARG158
C	PHE180

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 1398

Chain	Residue
C	CYS256
C	CYS259
C	CYS280
C	CYS283

site_id	BC2
Number of Residues	21
Details	BINDING SITE FOR RESIDUE CNA D 1394

Chain	Residue
D	ALA146
D	GLY147
D	SER149
D	THR150
D	ILE154
D	ASP156
D	ARG158
D	GLN228
D	ASN229
D	ILE230
D	ASP231
D	HIS248
D	THR320
D	SER321
D	VAL324
D	ASN344
D	ARG345
D	GLY364
D	ASP365
D	VAL366
D	SR71396

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL D 1395

Chain	Residue
B	ARG301
D	GLN300
D	ARG301

site_id	BC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE SR7 D 1396

Chain	Residue
D	PRO155
D	ASP156
D	PHE157
D	ARG158
D	PHE180
D	LEU199
D	ILE230
D	HIS248
D	VAL292
D	PHE293
D	PHE294
D	CNA1394

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 1397

Chain	Residue
D	CYS256
D	CYS259
D	CYS280
D	CYS283

site_id	BC6
Number of Residues	20
Details	BINDING SITE FOR RESIDUE CNA E 1395

Chain	Residue
D	GLN170
E	ALA146
E	GLY147
E	SER149
E	THR150
E	ASP156
E	ARG158
E	GLN228
E	ASN229
E	ILE230
E	ASP231
E	HIS248
E	GLY319
E	THR320
E	SER321
E	ASN344
E	ARG345
E	GLY364
E	VAL366
E	SR71396

site_id	BC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SR7 E 1396

Chain	Residue
E	PRO155
E	ASP156
E	PHE157
E	ARG158
E	PHE180
E	LEU199
E	HIS248
E	VAL292
E	CNA1395

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN E 1397

Chain	Residue
E	CYS256
E	CYS259
E	CYS280
E	CYS283

site_id	BC9
Number of Residues	24
Details	BINDING SITE FOR RESIDUE CNA F 1395

Chain	Residue
B	GLN170
F	GLY145
F	ALA146
F	GLY147
F	SER149
F	THR150
F	ASP156
F	ARG158
F	GLN228
F	ASN229
F	ILE230
F	ASP231
F	HIS248
F	GLY319
F	THR320
F	SER321
F	VAL324
F	ASN344
F	ARG345
F	ASP346
F	GLY364
F	ASP365
F	VAL366
F	SR71396

site_id	CC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SR7 F 1396

Chain	Residue
F	PRO155
F	ASP156
F	PHE157
F	ARG158
F	PHE180
F	HIS248
F	VAL292
F	PHE294
F	VAL324
F	CNA1395

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN F 1397

Chain	Residue
F	CYS256
F	CYS259
F	CYS280
F	CYS283

site_id	CC3
Number of Residues	20
Details	BINDING SITE FOR RESIDUE CNA G 1395

Chain	Residue
G	ALA146
G	GLY147
G	SER149
G	THR150
G	ASP156
G	ARG158
G	GLN228
G	ASN229
G	ILE230
G	ASP231
G	HIS248
G	GLY319
G	THR320
G	SER321
G	ASN344
G	ARG345
G	GLY364
G	ASP365
G	VAL366
G	SR71396

site_id	CC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SR7 G 1396

Chain	Residue
G	PHE157
G	ARG158
G	GLU177
G	PHE180
G	LEU195
G	LEU199
G	HIS248
G	VAL292
G	PHE294
G	CNA1395

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN G 1397

Chain	Residue
G	CYS256
G	CYS259
G	CYS280
G	CYS283

site_id	CC6
Number of Residues	22
Details	BINDING SITE FOR RESIDUE CNA H 1395

Chain	Residue
H	ALA146
H	GLY147
H	SER149
H	THR150
H	ASP156
H	ARG158
H	GLN228
H	ASN229
H	ILE230
H	ASP231
H	HIS248
H	GLY319
H	THR320
H	SER321
H	ASN344
H	ARG345
H	ASP346
H	GLY364
H	ASP365
H	VAL366
H	SR71396
K	GLN170

site_id	CC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SR7 H 1396

Chain	Residue
H	ASP156
H	PHE157
H	ARG158
H	PHE180
H	LEU195
H	LEU199
H	HIS248
H	VAL292
H	PHE294
H	CNA1395

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN H 1397

Chain	Residue
H	CYS256
H	CYS259
H	CYS280
H	CYS283

site_id	CC9
Number of Residues	20
Details	BINDING SITE FOR RESIDUE CNA I 1395

Chain	Residue
I	GLY145
I	ALA146
I	GLY147
I	THR150
I	ILE154
I	ASP156
I	ARG158
I	GLN228
I	ILE230
I	ASP231
I	HIS248
I	GLY319
I	THR320
I	SER321
I	ASN344
I	ARG345
I	ASP346
I	ASP365
I	VAL366
I	SR71396

site_id	DC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SR7 I 1396

Chain	Residue
I	PRO155
I	ASP156
I	PHE157
I	ARG158
I	PHE180
I	LEU199
I	HIS248
I	VAL292
I	PHE294
I	CNA1395

site_id	DC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN I 1397

Chain	Residue
I	CYS256
I	CYS259
I	CYS280
I	CYS283

site_id	DC3
Number of Residues	26
Details	BINDING SITE FOR RESIDUE CNA J 1395

Chain	Residue
A	GLN170
J	ALA146
J	GLY147
J	SER149
J	THR150
J	ILE154
J	ASP156
J	ARG158
J	GLN228
J	ASN229
J	ILE230
J	ASP231
J	HIS248
J	GLY319
J	THR320
J	SER321
J	LEU322
J	VAL324
J	ASN344
J	ARG345
J	ASP346
J	VAL348
J	GLY364
J	ASP365
J	VAL366
J	SR71396

site_id	DC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SR7 J 1396

Chain	Residue
J	PRO155
J	ASP156
J	PHE157
J	ARG158
J	PHE180
J	HIS248
J	VAL292
J	PHE294
J	CNA1395

site_id	DC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN J 1397

Chain	Residue
J	CYS256
J	CYS259
J	CYS280
J	CYS283

site_id	DC6
Number of Residues	20
Details	BINDING SITE FOR RESIDUE CNA K 1395

Chain	Residue
K	GLY145
K	ALA146
K	GLY147
K	SER149
K	THR150
K	ARG158
K	GLN228
K	ASN229
K	ASP231
K	HIS248
K	THR320
K	SER321
K	VAL324
K	ASN344
K	ARG345
K	ASP346
K	VAL348
K	GLY364
K	VAL366
K	SR71397

site_id	DC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL K 1396

Chain	Residue
F	ARG301
K	ARG301

site_id	DC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE SR7 K 1397

Chain	Residue
K	PRO155
K	ASP156
K	PHE157
K	ARG158
K	GLU177
K	PHE180
K	LEU199
K	ILE230
K	HIS248
K	VAL292
K	PHE293
K	PHE294
K	CNA1395

site_id	DC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN K 1398

Chain	Residue
K	CYS256
K	CYS259
K	CYS280
K	CYS283

site_id	EC1
Number of Residues	19
Details	BINDING SITE FOR RESIDUE CNA L 1395

Chain	Residue
L	ALA146
L	GLY147
L	SER149
L	THR150
L	ASP156
L	GLN228
L	ASN229
L	ILE230
L	ASP231
L	HIS248
L	THR320
L	SER321
L	LEU322
L	GLU323
L	ASN344
L	ARG345
L	GLY364
L	VAL366
L	SR71397

site_id	EC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL L 1396

Chain	Residue
J	ARG301
L	ARG301

site_id	EC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SR7 L 1397

Chain	Residue
L	PRO155
L	ASP156
L	PHE157
L	ARG158
L	PHE180
L	ILE230
L	HIS248
L	VAL292
L	PHE294
L	CNA1395

site_id	EC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN L 1398

Chain	Residue
L	CYS256
L	CYS259
L	CYS280
L	CYS283

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00236","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12186850","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16788062","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18794531","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"36896611","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	324
Details	Binding site: {"evidences":[{"source":"PubMed","id":"23897466","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	36
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19535340","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23897466","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"36896611","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"37720100","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19535340","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23897466","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"36896611","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	12
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"Q8R104","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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