6WBW

Structure of Human HDAC2 in complex with an ethyl ketone inhibitor

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	19
Details	binding site for residue TV1 A 401

Chain	Residue
A	GLY28
A	PHE151
A	ASP177
A	HIS179
A	PHE206
A	ASP265
A	LEU272
A	GLY302
A	TYR304
A	ZN402
A	HOH716
A	HIS29
A	PRO30
A	MET31
A	GLU99
A	ASP100
A	HIS141
A	HIS142
A	GLY150

---

site_id	AC2
Number of Residues	4
Details	binding site for residue ZN A 402

Chain	Residue
A	ASP177
A	HIS179
A	ASP265
A	TV1401

---

site_id	AC3
Number of Residues	5
Details	binding site for residue CA A 403

Chain	Residue
A	ASP175
A	ASP177
A	HIS179
A	SER198
A	PHE199

---

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

Chain	Residue
A	PHE188
A	THR191
A	VAL194
A	TYR223
A	HOH547
A	HOH680

---

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

Chain	Residue
A	ASP19
A	ASN22
A	TYR23

---

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

Chain	Residue
A	GLU336
A	GLY339
A	HOH693

---

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

Chain	Residue
A	TYR24
A	HIS34

---

site_id	AC8
Number of Residues	20
Details	binding site for residue TV1 B 401

Chain	Residue
B	GLY28
B	HIS29
B	PRO30
B	MET31
B	ASP100
B	HIS141
B	HIS142
B	GLY150
B	PHE151
B	ASP177
B	HIS179
B	PHE206
B	ASP265
B	LEU272
B	GLY302
B	TYR304
B	ZN402
B	HOH589
B	HOH739
B	HOH757

---

site_id	AC9
Number of Residues	4
Details	binding site for residue ZN B 402

Chain	Residue
B	ASP177
B	HIS179
B	ASP265
B	TV1401

---

site_id	AD1
Number of Residues	5
Details	binding site for residue CA B 403

Chain	Residue
B	ASP175
B	ASP177
B	HIS179
B	SER198
B	PHE199

---

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

Chain	Residue
B	PHE188
B	THR191
B	VAL194
B	TYR223
B	HOH655
B	HOH749

---

site_id	AD3
Number of Residues	4
Details	binding site for residue PEG B 405

Chain	Residue
B	ASN350
B	THR352
B	HOH727
C	PEG405

---

site_id	AD4
Number of Residues	5
Details	binding site for residue PEG B 406

Chain	Residue
A	ARG127
B	ASP19
B	ASN22
B	TYR23
B	ASP105

---

site_id	AD5
Number of Residues	18
Details	binding site for residue TV1 C 401

Chain	Residue
C	LEU272
C	GLY302
C	TYR304
C	ZN402
C	HOH723
C	GLY28
C	HIS29
C	PRO30
C	MET31
C	ASP100
C	HIS141
C	HIS142
C	GLY150
C	PHE151
C	ASP177
C	HIS179
C	PHE206
C	ASP265

---

site_id	AD6
Number of Residues	4
Details	binding site for residue ZN C 402

Chain	Residue
C	ASP177
C	HIS179
C	ASP265
C	TV1401

---

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

Chain	Residue
C	PHE188
C	THR191
C	VAL194
C	TYR223
C	HOH538
C	HOH703

---

site_id	AD8
Number of Residues	5
Details	binding site for residue CA C 404

Chain	Residue
C	ASP175
C	ASP177
C	HIS179
C	SER198
C	PHE199

---

site_id	AD9
Number of Residues	7
Details	binding site for residue PEG C 405

Chain	Residue
B	ASN350
B	PEG405
C	LEU165
C	LYS166
C	GLN169
C	ARG193
C	HOH566

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	626
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

---