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Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5G3W

Structure of HDAC like protein from Bordetella Alcaligenes in complex with the photoswitchable inhibitor CEW65

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016787	molecular_function	hydrolase activity
A	0046872	molecular_function	metal ion binding
B	0016787	molecular_function	hydrolase activity
B	0046872	molecular_function	metal ion binding
C	0016787	molecular_function	hydrolase activity
C	0046872	molecular_function	metal ion binding
D	0016787	molecular_function	hydrolase activity
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 370

Chain	Residue
A	ASP180
A	HIS182
A	ASP268
A	C65376

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K A 371

Chain	Residue
A	ASP178
A	ASP180
A	HIS182
A	SER201
A	LEU202

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K A 372

Chain	Residue
A	TRP191
A	ASP194
A	VAL197
A	TYR226
A	HOH2341
A	HOH2345

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PEG A 373

Chain	Residue
A	LEU350
A	ASP352
A	HOH2492
A	HOH2494
A	HOH2511

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PEG A 374

Chain	Residue
A	LEU169
A	GLY170
A	HOH2328
B	PRO335

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PEG A 375

Chain	Residue
A	GLU172
A	ARG173
A	PRO195
A	HOH2331
A	HOH2333
A	HOH2513
A	HOH2514

site_id	AC7
Number of Residues	16
Details	BINDING SITE FOR RESIDUE C65 A 376

Chain	Residue
A	LEU21
A	ILE100
A	HIS142
A	HIS143
A	GLY151
A	PHE152
A	ASP180
A	HIS182
A	PHE208
A	ASP268
A	GLY310
A	TYR312
A	ZN370
A	HOH2317
B	TYR338
B	PHE341

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 370

Chain	Residue
B	ASP180
B	HIS182
B	ASP268
B	C65377

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K B 371

Chain	Residue
B	ASP178
B	ASP180
B	HIS182
B	SER201
B	LEU202

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE K B 372

Chain	Residue
B	TRP191
B	ASP194
B	VAL197
B	THR199
B	TYR226
B	HOH2263
B	HOH2270

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEG B 373

Chain	Residue
B	PRO195
B	HOH2253
B	HOH2411

site_id	BC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 1PE B 374

Chain	Residue
B	ASP189
B	TRP192
B	TRP192
B	ASP211
B	ASP211
B	HOH2265
B	HOH2265
B	HOH2413
B	HOH2413

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PEG B 375

Chain	Residue
B	GLY97
B	ASN147
B	ASN193
B	HOH2182

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PEG B 376

Chain	Residue
B	ARG86
B	VAL87
B	LEU90
B	ASP95
B	THR96

site_id	BC6
Number of Residues	14
Details	BINDING SITE FOR RESIDUE C65 B 377

Chain	Residue
A	PHE341
B	LEU21
B	ILE100
B	HIS142
B	HIS143
B	PHE152
B	ASP180
B	HIS182
B	PHE208
B	ASP268
B	GLY310
B	TYR312
B	ZN370
B	HOH2241

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 370

Chain	Residue
C	HIS182
C	ASP268
C	C65373
C	ASP180

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K C 371

Chain	Residue
C	ASP178
C	ASP180
C	HIS182
C	SER201
C	LEU202

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE K C 372

Chain	Residue
C	TRP191
C	ASP194
C	VAL197
C	THR199
C	TYR226
C	HOH2314
C	HOH2317

site_id	CC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE C65 C 373

Chain	Residue
C	LEU21
C	ILE100
C	HIS142
C	HIS143
C	ASP180
C	HIS182
C	PHE208
C	ASP268
C	TYR312
C	ZN370
C	HOH2074
C	HOH2286
D	PHE341

site_id	CC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEG C 374

Chain	Residue
C	GLN188
C	TRP192
C	HOH2312

site_id	CC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 1PE C 375

Chain	Residue
C	GLU172
C	ARG173
C	PRO195
C	TYR226
C	ARG257
C	HOH2305
C	HOH2356
C	HOH2384
C	HOH2480

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PEG C 376

Chain	Residue
C	ASP189
C	TRP192
C	ASN193
C	ALA220

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 370

Chain	Residue
D	ASP180
D	HIS182
D	ASP268
D	C65373

site_id	CC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE K D 371

Chain	Residue
D	TRP191
D	ASP194
D	VAL197
D	THR199
D	TYR226
D	HOH2230
D	HOH2236

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K D 372

Chain	Residue
D	ASP178
D	ASP180
D	HIS182
D	SER201
D	LEU202

site_id	CC8
Number of Residues	14
Details	BINDING SITE FOR RESIDUE C65 D 373

Chain	Residue
C	PHE341
D	LEU21
D	ILE100
D	HIS142
D	HIS143
D	PHE152
D	ASP180
D	HIS182
D	PHE208
D	ASP268
D	TYR312
D	ZN370
D	HOH2207
D	HOH2379

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PEG D 374

Chain	Residue
D	ARG173
D	PRO195
D	TYR226
D	HOH2380
D	HOH2381
D	HOH2382

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PEG D 375

Chain	Residue
D	GLN188
D	ASP211
D	HOH2233
D	HOH2383

site_id	DC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PEG D 376

Chain	Residue
D	LYS85
D	SER88
D	ASN89
D	GLY106
D	HOH2171
D	HOH2175

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton donor/acceptor => ECO:0000250\|UniProtKB:Q48935

Chain	Residue	Details
A	HIS143
B	HIS143
C	HIS143
D	HIS143

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269\|PubMed:27756124, ECO:0007744\|PDB:5G1C

Chain	Residue	Details
A	ASP180
D	ASP180
D	HIS182
D	ASP268
A	HIS182
A	ASP268
B	ASP180
B	HIS182
B	ASP268
C	ASP180
C	HIS182
C	ASP268

site_id	SWS_FT_FI3
Number of Residues	4
Details	SITE: Polarizes the scissile carbonyl of the substrate => ECO:0000250\|UniProtKB:Q48935

Chain	Residue	Details
A	TYR312
B	TYR312
C	TYR312
D	TYR312

223532

PDB entries from 2024-08-07

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