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4WKU

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

Functional Information from GO Data
ChainGOidnamespacecontents
A0016787molecular_functionhydrolase activity
A0016811molecular_functionhydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
A0017000biological_processantibiotic biosynthetic process
B0016787molecular_functionhydrolase activity
B0017000biological_processantibiotic biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues5
Detailsbinding site for residue GOL A 201
ChainResidue
ALYS48
AGLU93
ALEU94
AASP95
AASP180

site_idAC2
Number of Residues5
Detailsbinding site for residue GOL A 202
ChainResidue
BGLN341
ATRP105
ALEU106
AARG167
AHOH390

site_idAC3
Number of Residues6
Detailsbinding site for residue GOL A 203
ChainResidue
AARG77
AGLU79
AASN107
AARG164
AHOH392
AHOH438

site_idAC4
Number of Residues6
Detailsbinding site for residue GOL A 204
ChainResidue
ATRP116
ATHR159
AASP160
AHOH302
AHOH310
BLYS643

site_idAC5
Number of Residues7
Detailsbinding site for residue 3QJ B 801
ChainResidue
BSER217
BHIS239
BPHE240
BTHR285
BVAL286
BASN485
BHOH1055

site_idAC6
Number of Residues8
Detailsbinding site for residue GOL B 802
ChainResidue
AGLU72
ASER91
AARG168
BPRO241
BASN243
BGLY244
BALA245
BMET246

site_idAC7
Number of Residues7
Detailsbinding site for residue GOL B 803
ChainResidue
BARG258
BLEU259
BASP260
BASN382
BGLN383
BHOH996
BHOH1210

site_idAC8
Number of Residues7
Detailsbinding site for residue GOL B 804
ChainResidue
ALEU97
AILE101
AVAL183
BVAL335
BGLU336
BHIS337
BHOH903

site_idAC9
Number of Residues4
Detailsbinding site for residue GOL B 805
ChainResidue
AGLU172
AGLY173
AGLN177
BTRP402

site_idAD1
Number of Residues5
Detailsbinding site for residue GOL B 806
ChainResidue
BARG365
BALA454
BTRP455
BALA464
BGLY465

site_idAD2
Number of Residues8
Detailsbinding site for residue GOL B 807
ChainResidue
BLEU308
BGLY311
BARG312
BSER313
BASP729
BGLU732
BHOH928
BHOH943

site_idAD3
Number of Residues4
Detailsbinding site for residue GOL B 808
ChainResidue
BGLN471
BGLY499
BPHE500
BHOH1249

site_idAD4
Number of Residues6
Detailsbinding site for residue GOL B 809
ChainResidue
BILE343
BSER451
BALA454
BGLN662
BHOH909
BHOH1081

site_idAD5
Number of Residues10
Detailsbinding site for residue GOL B 810
ChainResidue
BSER227
BALA228
BASP229
BMET233
BLEU527
BGLU528
BALA529
BTHR702
BHOH1090
BHOH1104

site_idAD6
Number of Residues5
Detailsbinding site for residue GOL B 811
ChainResidue
BPHE596
BLEU599
BGLY601
BALA602
BTRP603

site_idAD7
Number of Residues3
Detailsbinding site for residue GOL B 812
ChainResidue
BARG391
BVAL474
BLEU476

site_idAD8
Number of Residues4
Detailsbinding site for residue GOL B 813
ChainResidue
BHOH1247
BLEU580
BASP581
BASP654

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Nucleophile => ECO:0000250
ChainResidueDetails
BSER217

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PDB entries from 2024-07-24

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