6WI3

Histone deacetylases complex with peptide macrocycles

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004407	molecular_function	histone deacetylase activity
B	0004407	molecular_function	histone deacetylase activity
C	0004407	molecular_function	histone deacetylase activity

Functional Information from PDB Data

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

Chain	Residue
A	ASP181
A	HIS183
A	ASP269
F	U2M500

---

site_id	AC2
Number of Residues	5
Details	binding site for residue NA A 402

Chain	Residue
A	ASP179
A	ASP181
A	HIS183
A	SER202
A	PHE203

---

site_id	AC3
Number of Residues	6
Details	binding site for residue NA A 403

Chain	Residue
A	PHE192
A	THR195
A	VAL198
A	TYR227
A	HOH530
A	HOH572

---

site_id	AC4
Number of Residues	6
Details	binding site for residue NHE A 404

Chain	Residue
A	LYS128
A	HOH569
B	ASP21
B	GLY22
B	ASP23
B	ARG60

---

site_id	AC5
Number of Residues	1
Details	binding site for residue PGE A 405

Chain	Residue
A	ALA191

---

site_id	AC6
Number of Residues	2
Details	binding site for residue PG4 A 406

Chain	Residue
A	ASN26
A	TYR27

---

site_id	AC7
Number of Residues	6
Details	binding site for residue PG4 A 407

Chain	Residue
A	ARG311
A	GLU340
A	TYR341
A	GLY343
A	HOH522
C	PHE346

---

site_id	AC8
Number of Residues	4
Details	binding site for residue ZN B 401

Chain	Residue
B	ASP181
B	HIS183
B	ASP269
G	U2M500

---

site_id	AC9
Number of Residues	5
Details	binding site for residue NA B 402

Chain	Residue
B	ASP179
B	ASP181
B	HIS183
B	SER202
B	PHE203

---

site_id	AD1
Number of Residues	6
Details	binding site for residue NA B 403

Chain	Residue
B	PHE192
B	THR195
B	VAL198
B	TYR227
B	HOH549
B	HOH559

---

site_id	AD2
Number of Residues	4
Details	binding site for residue PG4 B 404

Chain	Residue
A	ARG131
B	TYR27
B	ASP109
B	HOH513

---

site_id	AD3
Number of Residues	5
Details	binding site for residue PGE B 405

Chain	Residue
B	ARG311
B	GLU340
B	TYR341
B	GLY343
B	HOH602

---

site_id	AD4
Number of Residues	8
Details	binding site for residue PG4 B 406

Chain	Residue
B	LYS94
B	LYS284
B	GLU328
B	ASN331
B	HIS349
C	GLU67
C	THR70
C	LYS71

---

site_id	AD5
Number of Residues	4
Details	binding site for residue ZN C 401

Chain	Residue
C	ASP181
C	HIS183
C	ASP269
H	U2M500

---

site_id	AD6
Number of Residues	6
Details	binding site for residue NA C 402

Chain	Residue
C	ASP179
C	ASP181
C	HIS183
C	SER202
C	PHE203
C	HIS204

---

site_id	AD7
Number of Residues	6
Details	binding site for residue NA C 403

Chain	Residue
C	PHE192
C	THR195
C	VAL198
C	TYR227
C	HOH509
C	HOH524

---

site_id	AD8
Number of Residues	4
Details	binding site for residue PGE C 404

Chain	Residue
B	PRO344
C	LEU169
C	ALA191
C	HOH511

---

site_id	AD9
Number of Residues	3
Details	binding site for residue PGE C 405

Chain	Residue
B	LYS71
B	TYR72
C	GLU91

---

site_id	AE1
Number of Residues	16
Details	binding site for Ligand residues DSN F 505 through ASP F 503 bound to ASN F 504

Chain	Residue
A	ZN401
F	ASN504
A	LYS15
A	GLY32
A	PRO34
A	ASP104
A	GLN133
A	HIS145
A	HIS146
A	GLY154
A	PHE155
A	ASP181
A	HIS183
A	PHE210
A	LEU276
A	TYR308

---

site_id	AE2
Number of Residues	15
Details	binding site for Ligand residues DSN G 505 through ASP G 503 bound to ASN G 504

Chain	Residue
B	GLY32
B	PRO34
B	ARG54
B	ASP104
B	HIS146
B	GLY154
B	PHE155
B	HIS183
B	PHE210
B	PRO211
B	ASP269
B	TYR308
B	ZN401
G	ASN504
G	HOH701

---

site_id	AE3
Number of Residues	12
Details	binding site for Di-peptide U2M H 500 and TRP H 501

Chain	Residue
C	GLY32
C	PRO34
C	ASP104
C	HIS146
C	GLY154
C	PHE155
C	HIS183
C	PHE210
C	ARG275
C	TYR308
C	ZN401
H	LYS508

---

site_id	AE4
Number of Residues	9
Details	binding site for Di-peptide U2M H 500 and LYS H 508

Chain	Residue
C	ASP104
C	HIS146
C	GLY154
C	PHE155
C	HIS183
C	PHE210
C	TYR308
C	ZN401
H	TRP501

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	ACT_SITE: ACT_SITE => ECO:0000250|UniProtKB:Q13547

Chain	Residue	Details
A	HIS146
B	HIS146
C	HIS146

---

site_id	SWS_FT_FI2
Number of Residues	27
Details	BINDING: BINDING => ECO:0000269|PubMed:37137925, ECO:0007744|PDB:8BPA, ECO:0007744|PDB:8BPB, ECO:0007744|PDB:8BPC

Chain	Residue	Details
A	ASP179
B	ASP179
B	ASP181
B	HIS183
B	PHE192
B	THR195
B	VAL198
B	SER202
B	PHE203
B	ASP269
C	ASP179
A	ASP181
C	ASP181
C	HIS183
C	PHE192
C	THR195
C	VAL198
C	SER202
C	PHE203
C	ASP269
A	HIS183
A	PHE192
A	THR195
A	VAL198
A	SER202
A	PHE203
A	ASP269

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	BINDING: BINDING => ECO:0000269|PubMed:37137925, ECO:0007744|PDB:8BPB, ECO:0007744|PDB:8BPC

Chain	Residue	Details
A	TYR227
B	TYR227
C	TYR227

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	MOD_RES: N6-acetyllysine; alternate => ECO:0000250|UniProtKB:Q13547

Chain	Residue	Details
A	LYS79
B	LYS79
C	LYS79

---

site_id	SWS_FT_FI5
Number of Residues	3
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q13547

Chain	Residue	Details
A	LYS225
B	LYS225
C	LYS225

---

site_id	SWS_FT_FI6
Number of Residues	6
Details	MOD_RES: S-nitrosocysteine => ECO:0000250|UniProtKB:P70288

Chain	Residue	Details
A	CYS266
A	CYS278
B	CYS266
B	CYS278
C	CYS266
C	CYS278

---

site_id	SWS_FT_FI7
Number of Residues	6
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:28112733

Chain	Residue	Details
A	LYS79
B	LYS79
C	LYS79

---