2VCG

Crystal structure of a HDAC-like protein HDAH from Bordetella sp. with the bound inhibitor ST-17

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004407	molecular_function	histone deacetylase activity
A	0016787	molecular_function	hydrolase activity
A	0040029	biological_process	epigenetic regulation of gene expression
A	0046872	molecular_function	metal ion binding
B	0004407	molecular_function	histone deacetylase activity
B	0016787	molecular_function	hydrolase activity
B	0040029	biological_process	epigenetic regulation of gene expression
B	0046872	molecular_function	metal ion binding
C	0004407	molecular_function	histone deacetylase activity
C	0016787	molecular_function	hydrolase activity
C	0040029	biological_process	epigenetic regulation of gene expression
C	0046872	molecular_function	metal ion binding
D	0004407	molecular_function	histone deacetylase activity
D	0016787	molecular_function	hydrolase activity
D	0040029	biological_process	epigenetic regulation of gene expression
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL D1376

Chain	Residue
C	THR222
C	GOL1376
D	MET1
D	HIS64
D	VAL337
D	HOH2120
D	HOH2441
D	HOH2442
D	HOH2443

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C1376

Chain	Residue
C	TYR220
C	THR222
D	MET1
D	GOL1376

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A1375

Chain	Residue
A	ASP186
A	HIS188
A	ASP274
A	S171378

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B1376

Chain	Residue
B	ASP186
B	HIS188
B	ASP274
B	S171379

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C1377

Chain	Residue
C	ASP186
C	HIS188
C	ASP274
C	S171380

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D1377

Chain	Residue
D	ASP186
D	HIS188
D	ASP274
D	S171381

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D1378

Chain	Residue
D	HIS4
D	HIS6
D	HIS64
D	CL1382

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K A1376

Chain	Residue
A	ASP184
A	ASP186
A	HIS188
A	SER207
A	LEU208

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K B1377

Chain	Residue
B	ASP184
B	ASP186
B	HIS188
B	SER207
B	LEU208

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K C1378

Chain	Residue
C	ASP184
C	ASP186
C	HIS188
C	SER207
C	LEU208

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K D1379

Chain	Residue
D	ASP184
D	ASP186
D	HIS188
D	SER207
D	LEU208

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K A1377

Chain	Residue
A	TRP197
A	ASP200
A	VAL203
A	TYR232
A	HOH2242
A	HOH2269

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K B1378

Chain	Residue
B	TRP197
B	ASP200
B	VAL203
B	TYR232
B	HOH2308

---

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K C1379

Chain	Residue
C	TRP197
C	ASP200
C	VAL203
C	TYR232
C	HOH2281

---

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K D1380

Chain	Residue
D	TRP197
D	ASP200
D	VAL203
D	TYR232
D	HOH2279
D	HOH2304

---

site_id	BC7
Number of Residues	16
Details	BINDING SITE FOR RESIDUE S17 D1381

Chain	Residue
A	TYR344
A	GLU346
A	PHE347
D	LEU27
D	ALA28
D	ILE106
D	HIS148
D	HIS149
D	PHE158
D	ASP186
D	HIS188
D	ASP274
D	TYR318
D	ZN1377
D	HOH2246
D	HOH2444

---

site_id	BC8
Number of Residues	17
Details	BINDING SITE FOR RESIDUE S17 C1380

Chain	Residue
C	HIS149
C	PHE158
C	ASP186
C	HIS188
C	ASP274
C	TYR318
C	ZN1377
C	HOH2065
C	HOH2224
B	TYR344
B	GLU346
B	PHE347
B	HOH2401
C	LEU27
C	ALA28
C	ILE106
C	HIS148

---

site_id	BC9
Number of Residues	17
Details	BINDING SITE FOR RESIDUE S17 A1378

Chain	Residue
A	LEU27
A	ILE106
A	HIS148
A	HIS149
A	PHE158
A	ASP186
A	HIS188
A	PHE214
A	ASP274
A	TYR318
A	ZN1375
A	HOH2393
D	PRO343
D	GLU346
D	PHE347
D	HOH2399
D	HOH2401

---

site_id	CC1
Number of Residues	17
Details	BINDING SITE FOR RESIDUE S17 B1379

Chain	Residue
B	LEU27
B	ASP104
B	ILE106
B	HIS148
B	HIS149
B	PHE158
B	ASP186
B	HIS188
B	PHE214
B	ASP274
B	TYR318
B	ZN1376
B	HOH2448
C	PRO343
C	TYR344
C	PHE347
C	HOH2193

---

site_id	CC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CL D1382

Chain	Residue
D	HIS4
D	HIS5
D	HIS6
D	HIS64
D	VAL337
D	ZN1378
D	HOH2441

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"UniProtKB","id":"Q48935","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"27756124","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5G1C","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Site: {"description":"Polarizes the scissile carbonyl of the substrate","evidences":[{"source":"UniProtKB","id":"Q48935","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---