Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5ZGC

Crystal Structure of SIRT3 in complex with H4K16bhb peptide

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue ZN A 401

Chain	Residue
A	CYS256
A	CYS259
A	CYS280
A	CYS283

site_id	AC2
Number of Residues	4
Details	binding site for residue ZN B 401

Chain	Residue
B	CYS256
B	CYS259
B	CYS280
B	CYS283

site_id	AC3
Number of Residues	4
Details	binding site for residue ZN C 401

Chain	Residue
C	CYS259
C	CYS280
C	CYS283
C	CYS256

site_id	AC4
Number of Residues	4
Details	binding site for residue ZN D 401

Chain	Residue
D	CYS256
D	CYS259
D	CYS280
D	CYS283

site_id	AC5
Number of Residues	4
Details	binding site for residue ZN E 401

Chain	Residue
E	CYS256
E	CYS259
E	CYS280
E	CYS283

site_id	AC6
Number of Residues	11
Details	binding site for Di-peptide ALA G 15 and KHB G 16

Chain	Residue
A	PHE180
A	GLN228
A	HIS248
A	VAL292
A	PHE293
A	PHE294
A	GLY295
A	GLU296
A	GLU325
G	GLY14
G	ARG17

site_id	AC7
Number of Residues	14
Details	binding site for Di-peptide KHB G 16 and ARG G 17

Chain	Residue
A	PHE180
A	GLN228
A	HIS248
A	VAL292
A	PHE293
A	PHE294
A	GLY295
A	GLU296
A	VAL324
A	GLU325
G	GLY13
G	GLY14
G	ALA15
G	HIS18

site_id	AC8
Number of Residues	12
Details	binding site for Di-peptide ALA H 15 and KHB H 16

Chain	Residue
B	PHE180
B	GLN228
B	ILE230
B	HIS248
B	VAL292
B	PHE293
B	PHE294
B	GLY295
B	GLU296
B	GLU325
H	GLY14
H	ARG17

site_id	AC9
Number of Residues	15
Details	binding site for Di-peptide KHB H 16 and ARG H 17

Chain	Residue
B	PHE180
B	GLN228
B	ILE230
B	HIS248
B	VAL292
B	PHE293
B	PHE294
B	GLY295
B	GLU296
B	VAL324
B	GLU325
H	LYS12
H	GLY13
H	ALA15
H	HIS18

site_id	AD1
Number of Residues	14
Details	binding site for Di-peptide ALA I 15 and KHB I 16

Chain	Residue
C	PHE180
C	GLN228
C	ILE230
C	HIS248
C	VAL292
C	PHE293
C	PHE294
C	GLY295
C	GLU296
C	VAL324
C	GLU325
I	GLY14
I	ARG17
I	HOH101

site_id	AD2
Number of Residues	15
Details	binding site for Di-peptide KHB I 16 and ARG I 17

Chain	Residue
I	HIS18
I	HOH101
C	PHE180
C	GLN228
C	ILE230
C	HIS248
C	VAL292
C	PHE293
C	PHE294
C	GLY295
C	GLU296
C	VAL324
C	GLU325
I	GLY13
I	ALA15

site_id	AD3
Number of Residues	13
Details	binding site for Di-peptide ALA J 15 and KHB J 16

Chain	Residue
E	PHE180
E	GLN228
E	ILE230
E	HIS248
E	VAL292
E	PHE293
E	PHE294
E	GLY295
E	GLU296
E	VAL324
E	GLU325
J	GLY14
J	ARG17

site_id	AD4
Number of Residues	13
Details	binding site for Di-peptide KHB J 16 and ARG J 17

Chain	Residue
E	PHE180
E	GLN228
E	ILE230
E	HIS248
E	VAL292
E	PHE293
E	PHE294
E	GLY295
E	GLU296
E	VAL324
E	GLU325
J	ALA15
J	HIS18

site_id	AD5
Number of Residues	11
Details	binding site for Di-peptide ALA K 15 and KHB K 16

Chain	Residue
D	PHE180
D	GLN228
D	HIS248
D	VAL292
D	PHE293
D	PHE294
D	GLY295
D	GLU296
D	GLU325
K	GLY14
K	ARG17

site_id	AD6
Number of Residues	11
Details	binding site for Di-peptide KHB K 16 and ARG K 17

Chain	Residue
D	PHE180
D	GLN228
D	HIS248
D	VAL292
D	PHE293
D	PHE294
D	GLY295
D	GLU296
D	GLU325
K	ALA15
K	HIS18

site_id	AD7
Number of Residues	6
Details	binding site for Di-peptide ALA L 15 and KHB L 16

Chain	Residue
F	PHE294
F	GLY295
F	GLU296
F	GLU325
L	GLY14
L	ARG17

site_id	AD8
Number of Residues	7
Details	binding site for Di-peptide KHB L 16 and ARG L 17

Chain	Residue
F	PHE294
F	GLY295
F	GLU296
F	VAL324
F	GLU325
L	ALA15
L	HIS18

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
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	62
Details	Binding site: {"evidences":[{"source":"PubMed","id":"23897466","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	15
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	5
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	5
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"Q8R104","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	2
Details	Modified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"PubMed","id":"22389435","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	6
Details	Modified residue: {"description":"N6-propionyllysine; alternate","evidences":[{"source":"PubMed","id":"17267393","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	4
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate","evidences":[{"source":"PubMed","id":"25218447","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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