Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3N33

Crystal structure of the N-terminal beta-aminopeptidase BapA in complex with pefabloc SC (AEBSF)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004177	molecular_function	aminopeptidase activity
A	0006508	biological_process	proteolysis
A	0008233	molecular_function	peptidase activity
A	0016787	molecular_function	hydrolase activity
A	0042597	cellular_component	periplasmic space
A	0042802	molecular_function	identical protein binding
B	0004177	molecular_function	aminopeptidase activity
B	0006508	biological_process	proteolysis
B	0008233	molecular_function	peptidase activity
B	0016787	molecular_function	hydrolase activity
B	0042597	cellular_component	periplasmic space
B	0042802	molecular_function	identical protein binding
C	0004177	molecular_function	aminopeptidase activity
C	0006508	biological_process	proteolysis
C	0008233	molecular_function	peptidase activity
C	0016787	molecular_function	hydrolase activity
C	0042597	cellular_component	periplasmic space
C	0042802	molecular_function	identical protein binding
D	0004177	molecular_function	aminopeptidase activity
D	0006508	biological_process	proteolysis
D	0008233	molecular_function	peptidase activity
D	0016787	molecular_function	hydrolase activity
D	0042597	cellular_component	periplasmic space
D	0042802	molecular_function	identical protein binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 374

Chain	Residue
A	VAL88
C	ASP315
A	GLY89
A	GLN90
A	PRO263
A	HIS299
A	ILE301
A	PRO307
C	HIS264
C	ASN314

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EPE A 375

Chain	Residue
A	GLU121
A	ALA122
A	PHE124
A	SER125
A	LEU303
A	GLY304
A	HOH447
B	AES376
C	THR316

site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE AES A 376

Chain	Residue
A	THR76
A	GLY77
A	GLU133
A	SER250
A	LEU287
A	SO4382
A	HOH412
B	LEU84
B	PHE124
B	SER125
B	EPE375

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE AES A 377

Chain	Residue
A	GLU120
A	LEU123
A	PHE124
A	LEU127
B	ASN137
B	VAL142
B	PHE143

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 378

Chain	Residue
A	ARG138
A	PRO230
A	GLU231
A	VAL232
A	ALA352
A	VAL354

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 379

Chain	Residue
A	ASP112
A	VAL115
A	HOH994
B	ILE43
B	PHE143
B	HIS145

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 A 380

Chain	Residue
A	GLY285
A	ALA286
A	LEU287
A	SER288
A	HOH577
A	HOH601
A	HOH969
D	SER318
D	ASN322

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 381

Chain	Residue
A	ILE43
A	PHE143
B	ASP112
B	VAL115

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 382

Chain	Residue
A	LEU135
A	ASN207
A	SER250
A	LEU287
A	AES376
A	HOH404
A	HOH601
A	HOH614

site_id	BC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE GOL B 374

Chain	Residue
B	VAL88
B	GLY89
B	GLN90
B	PRO263
B	HIS299
B	ILE301
B	PRO307
D	MET262
D	HIS264
D	ASN314
D	ASP315

site_id	BC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EPE B 375

Chain	Residue
A	AES376
B	GLU121
B	ALA122
B	PHE124
B	SER125
B	LEU303
B	HOH425
D	THR316

site_id	BC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE AES B 376

Chain	Residue
B	HOH401
A	LEU84
A	PHE124
A	SER125
A	EPE375
B	THR76
B	GLY77
B	GLU133
B	SER250
B	LEU287
B	SO4380

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE AES B 377

Chain	Residue
A	ASN137
A	VAL142
A	PHE143
B	GLU120
B	LEU123
B	PHE124
B	LEU127

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 B 378

Chain	Residue
B	ARG138
B	ILE176
B	PRO230
B	GLU231
B	VAL232
B	ALA352
B	VAL354

site_id	BC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 B 379

Chain	Residue
B	GLY285
B	ALA286
B	LEU287
B	SER288
B	HOH675
B	HOH792
B	HOH847
C	SER318
C	ASN322

site_id	BC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 B 380

Chain	Residue
B	LEU135
B	ASN207
B	SER250
B	LEU287
B	AES376
B	HOH505
B	HOH724
B	HOH792

site_id	BC8
Number of Residues	11
Details	BINDING SITE FOR RESIDUE GOL C 374

Chain	Residue
A	MET262
A	HIS264
A	ASN314
A	ASP315
C	VAL88
C	GLY89
C	GLN90
C	PRO263
C	HIS299
C	ILE301
C	PRO307

site_id	BC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE AES C 375

Chain	Residue
C	THR76
C	GLY77
C	GLU133
C	SER250
C	LEU287
C	SO4381
C	HOH419
D	LEU84
D	PHE124
D	SER125
D	LEU128

site_id	CC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE AES C 376

Chain	Residue
C	GLU120
C	LEU123
C	PHE124
C	LEU127
C	HOH1020
C	HOH1081
D	ASN137
D	VAL142
D	PHE143

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 C 377

Chain	Residue
C	ARG138
C	ILE176
C	PRO230
C	GLU231
C	VAL232
C	VAL354

site_id	CC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 378

Chain	Residue
C	ASP112
C	VAL115
D	ILE43
D	PHE143
D	HIS145

site_id	CC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 C 379

Chain	Residue
B	SER318
B	ASN322
C	GLY285
C	ALA286
C	LEU287
C	SER288
C	HOH495
C	HOH547
C	HOH653

site_id	CC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 C 380

Chain	Residue
A	THR316
A	HOH432
C	PHE124
C	SER125
C	LEU303
C	HOH1039
D	AES375

site_id	CC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 C 381

Chain	Residue
C	LEU135
C	ASN207
C	SER250
C	LEU287
C	AES375
C	HOH457
C	HOH495
C	HOH744

site_id	CC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE GOL D 374

Chain	Residue
B	MET262
B	HIS264
B	ASN314
B	ASP315
D	VAL88
D	GLY89
D	GLN90
D	PRO263
D	HIS299
D	ILE301
D	PRO307

site_id	CC8
Number of Residues	12
Details	BINDING SITE FOR RESIDUE AES D 375

Chain	Residue
C	LEU84
C	LEU92
C	PHE124
C	SER125
C	SO4380
D	THR76
D	GLY77
D	GLU133
D	SER250
D	LEU287
D	SO4379
D	HOH400

site_id	CC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE AES D 376

Chain	Residue
C	MET41
C	ASN137
C	VAL142
C	PHE143
D	GLU120
D	LEU123
D	PHE124
D	LEU127

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 377

Chain	Residue
D	ARG138
D	PRO230
D	GLU231
D	ALA352

site_id	DC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 D 378

Chain	Residue
A	SER318
A	ASN322
D	GLY285
D	ALA286
D	LEU287
D	SER288
D	HOH488
D	HOH596

site_id	DC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 D 379

Chain	Residue
D	LEU135
D	ASN207
D	SER250
D	LEU287
D	AES375
D	HOH465
D	HOH488
D	HOH723

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"22980995","evidenceCode":"ECO:0000303"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	8
Details	Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"PubMed","id":"22980995","evidenceCode":"ECO:0000303"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)