5IWG

HDAC2 WITH LIGAND BRD4884

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	IWX403

---

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	20
Details	binding site for residue IWX A 403

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	ASP269
A	LEU276
A	GLY305
A	GLY306
A	TYR308
A	ZN401
A	HOH606

---

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

Chain	Residue
A	PHE192
A	THR195
A	VAL198
A	TYR227
A	HOH562
A	HOH583

---

site_id	AC5
Number of Residues	3
Details	binding site for residue PG5 A 405

Chain	Residue
A	ARG311
A	GLY343
A	HOH630

---

site_id	AC6
Number of Residues	3
Details	binding site for residue PGE A 406

Chain	Residue
A	ASN26
A	TYR27
A	GLY110

---

site_id	AC7
Number of Residues	2
Details	binding site for residue PGE A 407

Chain	Residue
A	LYS71
A	ALA191

---

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

Chain	Residue
B	ASP181
B	HIS183
B	ASP269
B	IWX403

---

site_id	AC9
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	AD1
Number of Residues	20
Details	binding site for residue IWX B 403

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	HOH602

---

site_id	AD2
Number of Residues	6
Details	binding site for residue CA B 404

Chain	Residue
B	PHE192
B	THR195
B	VAL198
B	TYR227
B	HOH585
B	HOH590

---

site_id	AD3
Number of Residues	6
Details	binding site for residue PEG B 405

Chain	Residue
B	LYS284
B	HIS349
B	HOH512
B	HOH513
C	GLU67
C	THR70

---

site_id	AD4
Number of Residues	3
Details	binding site for residue PEG B 406

Chain	Residue
B	ASN26
B	TYR27
B	ASP109

---

site_id	AD5
Number of Residues	2
Details	binding site for residue PEG B 407

Chain	Residue
B	GLU340
B	GLY343

---

site_id	AD6
Number of Residues	5
Details	binding site for residue PG4 B 408

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

---

site_id	AD7
Number of Residues	4
Details	binding site for residue ZN C 401

Chain	Residue
C	ASP181
C	HIS183
C	ASP269
C	IWX403

---

site_id	AD8
Number of Residues	5
Details	binding site for residue CA C 402

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

---

site_id	AD9
Number of Residues	22
Details	binding site for residue IWX C 403

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	LEU276
C	GLY305
C	GLY306
C	TYR308
C	ZN401
C	HOH516
C	HOH617

---

site_id	AE1
Number of Residues	6
Details	binding site for residue CA C 404

Chain	Residue
C	PHE192
C	THR195
C	VAL198
C	TYR227
C	HOH555
C	HOH570

---

site_id	AE2
Number of Residues	3
Details	binding site for residue PEG C 405

Chain	Residue
C	ASP23
C	ASN26
C	TYR27

---

site_id	AE3
Number of Residues	3
Details	binding site for residue PEG C 406

Chain	Residue
B	PRO344
C	HOH564
C	HOH646

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	313
Details	Region: {"description":"Histone deacetylase"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	Active site: {"evidences":[{"source":"UniProtKB","id":"Q13547","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	9
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"O15379","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	27
Details	Binding site: {"evidences":[{"source":"PubMed","id":"37137925","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"8BPA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"8BPB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"8BPC","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"37137925","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"8BPB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"8BPC","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	3
Details	Modified residue: {"description":"N6-acetyllysine; alternate","evidences":[{"source":"UniProtKB","id":"Q13547","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	3
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q13547","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	6
Details	Modified residue: {"description":"S-nitrosocysteine","evidences":[{"source":"UniProtKB","id":"P70288","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	6
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---