4WKV

n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016787	molecular_function	hydrolase activity
A	0016811	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
A	0017000	biological_process	antibiotic biosynthetic process
C	0016787	molecular_function	hydrolase activity
C	0017000	biological_process	antibiotic biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	binding site for residue 3QK C 801

Chain	Residue
C	SER217
C	HIS239
C	PHE240
C	THR285
C	VAL286
C	TRP378
C	ASN485
C	HOH1040

---

site_id	AC2
Number of Residues	5
Details	binding site for residue GOL C 802

Chain	Residue
C	ASP260
C	ASN382
C	GLN383
C	HOH989
C	LEU259

---

site_id	AC3
Number of Residues	4
Details	binding site for residue GOL C 803

Chain	Residue
C	PRO256
C	GLY257
C	GLU336
C	HIS337

---

site_id	AC4
Number of Residues	6
Details	binding site for residue GOL C 804

Chain	Residue
C	ARG365
C	TRP455
C	ARG457
C	ALA464
C	HOH1112
C	HOH1118

---

site_id	AC5
Number of Residues	9
Details	binding site for residue GOL C 805

Chain	Residue
A	GLU72
A	SER91
A	ALA92
A	ARG168
C	PRO241
C	ASN243
C	GLY244
C	ALA245
C	MET246

---

site_id	AC6
Number of Residues	8
Details	binding site for residue GOL C 806

Chain	Residue
C	PHE596
C	ALA597
C	LEU599
C	GLY601
C	ALA602
C	TRP603
C	HOH1054
C	HOH1220

---

site_id	AC7
Number of Residues	2
Details	binding site for residue GOL C 807

Chain	Residue
C	GLN498
C	GLY499

---

site_id	AC8
Number of Residues	6
Details	binding site for residue GOL C 808

Chain	Residue
C	ASN485
C	ASP486
C	GLY511
C	HIS673
C	HOH1153
C	HOH1243

---

site_id	AC9
Number of Residues	4
Details	binding site for residue GOL C 809

Chain	Residue
C	LEU580
C	ASP581
C	ARG651
C	ASP654

---

site_id	AD1
Number of Residues	4
Details	binding site for residue GOL C 810

Chain	Residue
C	ALA461
C	ALA462
C	ALA464
C	HOH1172

---

site_id	AD2
Number of Residues	2
Details	binding site for residue GOL C 811

Chain	Residue
C	ARG591
C	ILE646

---

site_id	AD3
Number of Residues	1
Details	binding site for residue GOL C 812

Chain	Residue
C	HOH1217

---

site_id	AD4
Number of Residues	4
Details	binding site for residue GOL A 201

Chain	Residue
A	GLU172
A	HOH447
C	MET246
C	TRP402

---

site_id	AD5
Number of Residues	5
Details	binding site for residue GOL A 202

Chain	Residue
A	LYS48
A	GLU93
A	LEU94
A	ASP95
A	ASP180

---

site_id	AD6
Number of Residues	5
Details	binding site for residue GOL A 203

Chain	Residue
A	TRP116
A	THR159
A	ASP160
A	HOH319
C	LYS643

---

site_id	AD7
Number of Residues	4
Details	binding site for residue GOL A 204

Chain	Residue
A	TRP105
A	LEU106
A	GLN108
A	ARG167

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Nucleophile => ECO:0000250

Chain	Residue	Details
C	SER217

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