Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5IX0

HDAC2 WITH LIGAND BRD7232

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
A	6EZ404

site_id	AC2
Number of Residues	5
Details	binding site for residue CA 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 CA A 403

Chain	Residue
A	PHE192
A	THR195
A	VAL198
A	TYR227
A	HOH570
A	HOH575

site_id	AC4
Number of Residues	20
Details	binding site for residue 6EZ A 404

Chain	Residue
A	TYR29
A	MET35
A	ARG39
A	PHE114
A	GLY143
A	LEU144
A	HIS145
A	HIS146
A	GLY154
A	PHE155
A	CYS156
A	ASP181
A	HIS183
A	PHE210
A	ASP269
A	GLY305
A	GLY306
A	TYR308
A	ZN401
A	HOH610

site_id	AC5
Number of Residues	3
Details	binding site for residue PEG A 406

Chain	Residue
A	LYS170
A	GLN173
A	HOH546

site_id	AC6
Number of Residues	4
Details	binding site for residue PG4 A 407

Chain	Residue
A	ARG311
A	GLU340
A	TYR341
A	GLY343

site_id	AC7
Number of Residues	2
Details	binding site for residue PG5 A 408

Chain	Residue
A	ASN26
A	ASP109

site_id	AC8
Number of Residues	4
Details	binding site for residue PGE A 409

Chain	Residue
A	LYS71
A	TYR72
A	ALA191
A	HOH678

site_id	AC9
Number of Residues	6
Details	binding site for residue PGE A 410

Chain	Residue
A	GLN173
A	ARG174
A	ASP196
A	TYR227
A	TYR257
A	PRO379

site_id	AD1
Number of Residues	4
Details	binding site for residue ZN B 401

Chain	Residue
B	ASP181
B	HIS183
B	ASP269
B	6EZ404

site_id	AD2
Number of Residues	5
Details	binding site for residue CA B 402

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

site_id	AD3
Number of Residues	6
Details	binding site for residue CA B 403

Chain	Residue
B	PHE192
B	THR195
B	VAL198
B	TYR227
B	HOH578
B	HOH590

site_id	AD4
Number of Residues	20
Details	binding site for residue 6EZ B 404

Chain	Residue
B	TYR29
B	MET35
B	ARG39
B	PHE114
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	ZN401
B	HOH615

site_id	AD5
Number of Residues	1
Details	binding site for residue EDO B 405

Chain	Residue
B	MET56

site_id	AD6
Number of Residues	1
Details	binding site for residue PEG B 406

Chain	Residue
B	HOH652

site_id	AD7
Number of Residues	4
Details	binding site for residue PEG B 407

Chain	Residue
B	ARG98
B	GLU328
B	HOH571
C	HOH526

site_id	AD8
Number of Residues	4
Details	binding site for residue PG5 B 408

Chain	Residue
A	HOH657
B	ARG311
B	GLU340
B	GLY343

site_id	AD9
Number of Residues	3
Details	binding site for residue PG5 B 409

Chain	Residue
B	LYS284
C	GLU67
C	THR70

site_id	AE1
Number of Residues	3
Details	binding site for residue PGE B 410

Chain	Residue
A	ARG131
B	ASP23
B	TYR27

site_id	AE2
Number of Residues	7
Details	binding site for residue PGE B 411

Chain	Residue
A	TYR59
A	LYS128
A	HOH515
B	ASP21
B	ASP23
B	ARG60
B	GLU113

site_id	AE3
Number of Residues	4
Details	binding site for residue PGE B 412

Chain	Residue
B	ARG174
B	ASP196
B	TYR227
C	GLU240

site_id	AE4
Number of Residues	6
Details	binding site for residue PGE B 413

Chain	Residue
B	SER272
B	GLY273
B	ARG275
B	ARG311
B	ASN312
B	HOH508

site_id	AE5
Number of Residues	6
Details	binding site for residue PGE B 414

Chain	Residue
B	LYS14
B	ASP135
B	MET136
B	LYS294
B	ASN297
B	LEU298

site_id	AE6
Number of Residues	4
Details	binding site for residue ZN C 401

Chain	Residue
C	ASP181
C	HIS183
C	ASP269
C	6EZ404

site_id	AE7
Number of Residues	5
Details	binding site for residue CA C 402

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

site_id	AE8
Number of Residues	6
Details	binding site for residue CA C 403

Chain	Residue
C	PHE192
C	THR195
C	VAL198
C	TYR227
C	HOH537
C	HOH591

site_id	AE9
Number of Residues	20
Details	binding site for residue 6EZ C 404

Chain	Residue
C	TYR29
C	MET35
C	ARG39
C	PHE114
C	GLY143
C	LEU144
C	HIS145
C	HIS146
C	GLY154
C	PHE155
C	CYS156
C	ASP181
C	HIS183
C	PHE210
C	ASP269
C	GLY305
C	GLY306
C	TYR308
C	ZN401
C	HOH642

site_id	AF1
Number of Residues	1
Details	binding site for residue EDO C 405

Chain	Residue
C	ILE58

site_id	AF2
Number of Residues	2
Details	binding site for residue PEG C 406

Chain	Residue
C	GLN132
C	ASP135

site_id	AF3
Number of Residues	6
Details	binding site for residue PG4 C 407

Chain	Residue
B	ASN354
C	LEU169
C	TYR171
C	GLN173
C	ARG197
C	HOH678

site_id	AF4
Number of Residues	7
Details	binding site for residue PGE C 408

Chain	Residue
C	TYR72
C	ALA191
C	ARG197
C	HOH525
C	HOH556
C	HOH573
C	HOH663

site_id	AF5
Number of Residues	3
Details	binding site for residue PGE C 409

Chain	Residue
C	ASP23
C	ASN26
C	ASP109

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

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