3MAX

Crystal Structure of Human HDAC2 complexed with an N-(2-aminophenyl)benzamide

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 379

Chain	Residue
A	ASP181
A	HIS183
A	ASP269
A	LLX400

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA A 380

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 381

Chain	Residue
A	PHE192
A	THR195
A	VAL198
A	TYR227
A	HOH396
A	HOH425

---

site_id	AC4
Number of Residues	19
Details	BINDING SITE FOR RESIDUE LLX A 400

Chain	Residue
A	TYR29
A	MET35
A	ARG39
A	GLY143
A	LEU144
A	HIS145
A	HIS146
A	GLY154
A	PHE155
A	CYS156
A	ASP181
A	HIS183
A	PHE210
A	ASP269
A	LEU276
A	GLY305
A	GLY306
A	TYR308
A	ZN379

---

site_id	AC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE NHE A 383

Chain	Residue
A	TYR59
A	LYS128
A	HOH537
A	HOH538
A	HOH539
B	ASP21
B	GLY22
B	ASP23
B	ARG60
B	GLU113
B	LEU117

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 379

Chain	Residue
B	ASP181
B	HIS183
B	ASP269
B	LLX400

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA B 380

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

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA B 381

Chain	Residue
B	PHE192
B	THR195
B	VAL198
B	TYR227
B	HOH385
B	HOH441

---

site_id	AC9
Number of Residues	18
Details	BINDING SITE FOR RESIDUE LLX B 400

Chain	Residue
B	TYR29
B	MET35
B	ARG39
B	GLY143
B	LEU144
B	HIS145
B	HIS146
B	GLY154
B	PHE155
B	CYS156
B	ASP181
B	HIS183
B	PHE210
B	ASP269
B	GLY305
B	GLY306
B	TYR308
B	ZN379

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 379

Chain	Residue
C	ASP181
C	HIS183
C	ASP269
C	LLX400

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA C 380

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

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA C 381

Chain	Residue
C	PHE192
C	THR195
C	VAL198
C	TYR227
C	HOH389
C	HOH464

---

site_id	BC4
Number of Residues	19
Details	BINDING SITE FOR RESIDUE LLX C 400

Chain	Residue
C	HIS146
C	GLY154
C	PHE155
C	CYS156
C	ASP181
C	HIS183
C	PHE210
C	ASP269
C	LEU276
C	GLY305
C	GLY306
C	TYR308
C	ZN379
C	TYR29
C	MET35
C	ARG39
C	GLY143
C	LEU144
C	HIS145

---

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

---