5ZGC

Crystal Structure of SIRT3 in complex with H4K16bhb peptide

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0017136	molecular_function	NAD-dependent histone deacetylase activity
A	0051287	molecular_function	NAD binding
A	0070403	molecular_function	NAD+ binding
B	0017136	molecular_function	NAD-dependent histone deacetylase activity
B	0051287	molecular_function	NAD binding
B	0070403	molecular_function	NAD+ binding
C	0017136	molecular_function	NAD-dependent histone deacetylase activity
C	0051287	molecular_function	NAD binding
C	0070403	molecular_function	NAD+ binding
D	0017136	molecular_function	NAD-dependent histone deacetylase activity
D	0051287	molecular_function	NAD binding
D	0070403	molecular_function	NAD+ binding
E	0017136	molecular_function	NAD-dependent histone deacetylase activity
E	0051287	molecular_function	NAD binding
E	0070403	molecular_function	NAD+ binding
F	0017136	molecular_function	NAD-dependent histone deacetylase activity
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	24
Details	DNA_BIND:

Chain	Residue	Details
G	KHB16-LYS20
H	KHB16-LYS20
I	KHB16-LYS20
J	KHB16-LYS20
K	KHB16-LYS20
L	KHB16-LYS20

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	MOD_RES: N6-succinyllysine; alternate => ECO:0000269|PubMed:22389435

Chain	Residue	Details
G	LYS12
C	GLN228
C	GLY319
C	ASN344
D	GLY145
D	GLN228
D	GLY319
D	ASN344
E	GLY145
E	GLN228
E	GLY319
H	LYS12
E	ASN344
F	GLY145
F	GLN228
F	GLY319
F	ASN344
I	LYS12
J	LYS12
K	LYS12
L	LYS12
B	GLY319
B	ASN344
C	GLY145

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	MOD_RES: N6-propionyllysine; alternate => ECO:0000269|PubMed:17267393

Chain	Residue	Details
G	KHB16
C	CYS259
C	CYS280
C	CYS283
D	CYS256
D	CYS259
D	CYS280
D	CYS283
E	CYS256
E	CYS259
E	CYS280
H	KHB16
E	CYS283
F	CYS256
F	CYS259
F	CYS280
F	CYS283
I	KHB16
J	KHB16
K	KHB16
L	KHB16
B	CYS280
B	CYS283
C	CYS256

---

site_id	SWS_FT_FI4
Number of Residues	6
Details	MOD_RES: N6-methyllysine; alternate => ECO:0000269|PubMed:12086618, ECO:0000269|PubMed:15964846, ECO:0000269|PubMed:17967882, ECO:0000269|PubMed:27338793

Chain	Residue	Details
G	LYS20
H	LYS20
I	LYS20
J	LYS20
K	LYS20
L	LYS20

---

site_id	SWS_FT_FI5
Number of Residues	6
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:25218447

Chain	Residue	Details
G	LYS12
H	LYS12
I	LYS12
J	LYS12
K	LYS12
L	LYS12

---

site_id	SWS_FT_FI6
Number of Residues	12
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:28112733

Chain	Residue	Details
K	LYS20
L	LYS20
G	LYS20
H	LYS20
I	LYS20
J	LYS20

---