5O6Y

Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase in complex with 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005975	biological_process	carbohydrate metabolic process
A	0016810	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
B	0005975	biological_process	carbohydrate metabolic process
B	0016810	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
C	0005975	biological_process	carbohydrate metabolic process
C	0016810	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
D	0005975	biological_process	carbohydrate metabolic process
D	0016810	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue SO4 A 301

Chain	Residue
A	PRO69
A	TYR70
A	ASN71
A	HOH416
B	PRO69
B	TYR70

---

site_id	AC2
Number of Residues	4
Details	binding site for residue SO4 A 302

Chain	Residue
A	HOH444
A	HIS231
A	LEU232
A	GLN233

---

site_id	AC3
Number of Residues	3
Details	binding site for residue SO4 A 303

Chain	Residue
A	SER263
A	LYS264
A	HOH404

---

site_id	AC4
Number of Residues	11
Details	binding site for residue 5YA A 304

Chain	Residue
A	ASP80
A	ASP81
A	HIS131
A	HIS135
A	TYR172
A	TRP193
A	ASP196
A	TRP200
A	LEU223
A	HIS225
A	PEG308

---

site_id	AC5
Number of Residues	3
Details	binding site for residue PE3 A 305

Chain	Residue
A	PHE66
A	TRP193
A	PEG308

---

site_id	AC6
Number of Residues	4
Details	binding site for residue PEG A 306

Chain	Residue
A	ASN71
A	LYS72
A	HOH440
B	GLU60

---

site_id	AC7
Number of Residues	6
Details	binding site for residue PEG A 307

Chain	Residue
A	TRP53
A	TRP58
A	GLU174
A	ILE175
A	LEU176
A	GLU177

---

site_id	AC8
Number of Residues	5
Details	binding site for residue PEG A 308

Chain	Residue
A	TRP53
A	TYR172
A	GLY173
A	5YA304
A	PE3305

---

site_id	AC9
Number of Residues	4
Details	binding site for residue PG0 A 309

Chain	Residue
A	VAL141
A	ASN142
A	GLU143
A	LEU176

---

site_id	AD1
Number of Residues	4
Details	binding site for residue NA A 310

Chain	Residue
A	SER194
A	SER220
A	HOH464
A	HOH486

---

site_id	AD2
Number of Residues	4
Details	binding site for residue NA A 311

Chain	Residue
A	PHE66
A	SER67
A	HOH420
B	PRO218

---

site_id	AD3
Number of Residues	4
Details	binding site for residue NA A 312

Chain	Residue
A	SER67
A	GLY68
A	HOH464
B	HOH403

---

site_id	AD4
Number of Residues	4
Details	binding site for residue NA A 313

Chain	Residue
A	PHE217
A	PRO218
B	SER67
B	HOH442

---

site_id	AD5
Number of Residues	1
Details	binding site for residue NA A 314

Chain	Residue
B	GLU155

---

site_id	AD6
Number of Residues	1
Details	binding site for residue NA A 315

Chain	Residue
A	TRP182

---

site_id	AD7
Number of Residues	3
Details	binding site for residue NA A 316

Chain	Residue
A	TRP53
A	PRO55
A	TYR64

---

site_id	AD8
Number of Residues	2
Details	binding site for residue CL A 317

Chain	Residue
A	THR262
A	SER263

---

site_id	AD9
Number of Residues	3
Details	binding site for residue SO4 B 301

Chain	Residue
B	HIS231
B	LEU232
B	GLN233

---

site_id	AE1
Number of Residues	9
Details	binding site for residue 5YA B 302

Chain	Residue
B	ASP80
B	ASP81
B	HIS131
B	HIS135
B	TYR172
B	TRP193
B	ASP196
B	HIS225
B	ZN303

---

site_id	AE2
Number of Residues	5
Details	binding site for residue ZN B 303

Chain	Residue
B	ASP81
B	HIS131
B	HIS135
B	PXU171
B	5YA302

---

site_id	AE3
Number of Residues	6
Details	binding site for residue DMS B 304

Chain	Residue
A	SER216
B	TRP53
B	PRO55
B	PHE56
B	PHE66
B	HOH449

---

site_id	AE4
Number of Residues	5
Details	binding site for residue DMS B 305

Chain	Residue
A	PRO55
A	PHE56
A	PHE66
B	LYS249
B	HOH455

---

site_id	AE5
Number of Residues	5
Details	binding site for residue PEG B 306

Chain	Residue
B	ASN178
B	GLN179
B	TRP182
B	GLU143
B	ARG147

---

site_id	AE6
Number of Residues	2
Details	binding site for residue PEG B 307

Chain	Residue
B	SER263
B	LYS264

---

site_id	AE7
Number of Residues	2
Details	binding site for residue PEG B 308

Chain	Residue
B	ASN116
B	HOH422

---

site_id	AE8
Number of Residues	4
Details	binding site for residue NA B 309

Chain	Residue
B	SER194
B	SER220
B	HOH464
B	HOH499

---

site_id	AE9
Number of Residues	2
Details	binding site for residue NA B 310

Chain	Residue
B	ASN187
B	ARG266

---

site_id	AF1
Number of Residues	1
Details	binding site for residue NA B 311

Chain	Residue
B	SER134

---

site_id	AF2
Number of Residues	1
Details	binding site for residue NA B 312

Chain	Residue
B	PRO89

---

site_id	AF3
Number of Residues	1
Details	binding site for residue NA B 313

Chain	Residue
B	SER134

---

site_id	AF4
Number of Residues	2
Details	binding site for residue NA B 314

Chain	Residue
B	ASN116
C	ILE151

---

site_id	AF5
Number of Residues	2
Details	binding site for residue NA B 317

Chain	Residue
B	THR255
B	HOH540

---

site_id	AF6
Number of Residues	3
Details	binding site for residue CL B 318

Chain	Residue
B	HIS98
B	LYS247
D	HOH414

---

site_id	AF7
Number of Residues	7
Details	binding site for residue SO4 C 301

Chain	Residue
A	ASN99
A	LYS247
A	HOH433
C	HIS98
C	PRO244
C	LYS247
C	HOH466

---

site_id	AF8
Number of Residues	4
Details	binding site for residue SO4 C 302

Chain	Residue
C	HIS231
C	LEU232
C	GLN233
C	HOH411

---

site_id	AF9
Number of Residues	3
Details	binding site for residue SO4 C 303

Chain	Residue
C	ASN99
C	LYS247
C	HOH404

---

site_id	AG1
Number of Residues	8
Details	binding site for residue SO4 C 304

Chain	Residue
C	PRO69
C	TYR70
C	HOH409
C	HOH437
C	HOH469
D	PRO69
D	TYR70
D	ASN71

---

site_id	AG2
Number of Residues	11
Details	binding site for residue 5YA C 305

Chain	Residue
C	ASP80
C	ASP81
C	HIS131
C	HIS135
C	PXU171
C	TYR172
C	TRP200
C	HIS225
C	ZN306
C	HOH413
C	HOH436

---

site_id	AG3
Number of Residues	5
Details	binding site for residue ZN C 306

Chain	Residue
C	ASP81
C	HIS131
C	HIS135
C	PXU171
C	5YA305

---

site_id	AG4
Number of Residues	7
Details	binding site for residue PE3 C 307

Chain	Residue
C	SER194
C	VAL195
C	ASP196
C	ASN211
C	ASN215
D	GLY214
D	ASN215

---

site_id	AG5
Number of Residues	4
Details	binding site for residue PEG C 308

Chain	Residue
C	PHE66
C	GLY173
C	GLN192
C	TRP193

---

site_id	AG6
Number of Residues	8
Details	binding site for residue PEG C 309

Chain	Residue
C	SER67
C	SER194
C	ASN215
C	PRO218
C	GLY219
C	SER220
C	NA313
D	PEG306

---

site_id	AG7
Number of Residues	1
Details	binding site for residue NA C 310

Chain	Residue
C	SER258

---

site_id	AG8
Number of Residues	2
Details	binding site for residue NA C 311

Chain	Residue
C	SER204
C	THR207

---

site_id	AG9
Number of Residues	1
Details	binding site for residue NA C 312

Chain	Residue
C	SER263

---

site_id	AH1
Number of Residues	6
Details	binding site for residue NA C 313

Chain	Residue
C	SER67
C	GLY68
C	PRO218
C	GLY219
C	PEG309
D	NA307

---

site_id	AH2
Number of Residues	4
Details	binding site for residue SO4 D 301

Chain	Residue
D	HIS231
D	LEU232
D	GLN233
D	HOH432

---

site_id	AH3
Number of Residues	12
Details	binding site for residue 5YA D 302

Chain	Residue
D	ASP80
D	ASP81
D	HIS131
D	HIS135
D	TYR172
D	TRP193
D	LEU223
D	HIS225
D	ZN303
D	PEG305
D	HOH433
D	HOH550

---

site_id	AH4
Number of Residues	5
Details	binding site for residue ZN D 303

Chain	Residue
D	ASP81
D	HIS131
D	HIS135
D	PXU171
D	5YA302

---

site_id	AH5
Number of Residues	4
Details	binding site for residue PEG D 304

Chain	Residue
D	HIS98
D	ASN99
D	LYS247
D	HOH438

---

site_id	AH6
Number of Residues	6
Details	binding site for residue PEG D 305

Chain	Residue
C	PHE217
D	THR54
D	PHE66
D	GLY173
D	TRP193
D	5YA302

---

site_id	AH7
Number of Residues	7
Details	binding site for residue PEG D 306

Chain	Residue
C	PEG309
D	SER67
D	SER194
D	ASN215
D	PHE217
D	SER220
D	HOH448

---

site_id	AH8
Number of Residues	6
Details	binding site for residue NA D 307

Chain	Residue
C	NA313
D	SER67
D	GLY68
D	PRO218
D	GLY219
D	HOH448

---

site_id	AH9
Number of Residues	2
Details	binding site for residue ZN D 308

Chain	Residue
D	HIS98
D	LYS247

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	181
Details	Domain: {"description":"NodB homology","evidences":[{"source":"PROSITE-ProRule","id":"PRU01014","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU01014","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PROSITE-ProRule","id":"PRU01014","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUN-2017","submissionDatabase":"PDB data bank","title":"Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase in complex with 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide.","authors":["Fadouloglou V.E.","Kotsifaki D.","Kokkinidis M."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Modified residue: {"description":"2-hydroxyproline; partial","evidences":[{"source":"PubMed","id":"28333455","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---