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5OE3

Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 1)

Functional Information from PDB Data
site_idAC1
Number of Residues24
Detailsbinding site for residue 3UK A 501
ChainResidue
ATHR164
AGLY302
AALA303
ATHR304
AASP382
AHIS394
AARG397
AHOH628
AHOH658
AHOH705
AHOH768
APHE209
AHOH823
AHOH837
AHOH970
AHOH971
AHOH990
ATYR211
AGLY279
ASER280
APRO281
AASP299
AGLY300
AILE301

site_idAC2
Number of Residues6
Detailsbinding site for residue PEG A 502
ChainResidue
ASER2
ATHR3
APRO155
AARG179
BGLU343
BGLU344

site_idAC3
Number of Residues9
Detailsbinding site for residue PEG A 503
ChainResidue
APRO85
ALYS86
ASER87
AGLU89
AARG106
AHOH621
AHOH637
AHOH788
AHOH1087

site_idAC4
Number of Residues5
Detailsbinding site for residue PEG A 504
ChainResidue
ATHR3
ALEU4
AARG152
AHOH826
AHOH963

site_idAC5
Number of Residues2
Detailsbinding site for residue EDO A 505
ChainResidue
AARG26
AGLY27

site_idAC6
Number of Residues5
Detailsbinding site for residue EDO A 506
ChainResidue
ALEU182
AGLY183
AARG186
AHOH607
AHOH683

site_idAC7
Number of Residues4
Detailsbinding site for residue EDO A 507
ChainResidue
ASER114
AGLY115
AHOH671
AHOH695

site_idAC8
Number of Residues8
Detailsbinding site for residue EDO A 508
ChainResidue
AGLU9
APHE12
AARG13
AARG36
APHE150
AHOH634
AHOH663
AHOH944

site_idAC9
Number of Residues21
Detailsbinding site for residue 3UK B 900
ChainResidue
BPHE209
BTYR211
BGLY279
BSER280
BPRO281
BASP299
BGLY300
BILE301
BGLY302
BALA303
BTHR304
BASP382
BHIS394
BARG397
BHOH1044
BHOH1096
BHOH1118
BHOH1162
BHOH1169
BHOH1349
BHOH1353

site_idAD1
Number of Residues7
Detailsbinding site for residue EDO B 901
ChainResidue
BGLU191
BLEU192
BARG314
BPRO315
BHOH1190
BHOH1257
BHOH1327

site_idAD2
Number of Residues3
Detailsbinding site for residue EDO B 902
ChainResidue
BARG347
BGLN348
DGLU338

site_idAD3
Number of Residues11
Detailsbinding site for residue EDO B 903
ChainResidue
BASP132
BEDO904
BHOH1020
BHOH1030
BHOH1038
BHOH1047
BSER65
BGLU107
BALA124
BALA125
BPRO129

site_idAD4
Number of Residues9
Detailsbinding site for residue EDO B 904
ChainResidue
BLEU60
BASN61
BSER63
BSER65
BGLU107
BALA124
BPHE134
BEDO903
BHOH1038

site_idAD5
Number of Residues9
Detailsbinding site for residue ACT B 905
ChainResidue
BSER102
BALA118
BPRO119
BLEU120
BHOH1048
BHOH1105
BHOH1111
BHOH1306
BHOH1479

site_idAD6
Number of Residues7
Detailsbinding site for residue PEG C 501
ChainResidue
AARG249
ASER271
AHOH627
CASP19
CHOH613
CHOH617
CHOH643

site_idAD7
Number of Residues22
Detailsbinding site for residue 3UK C 502
ChainResidue
CPHE209
CTYR211
CGLY279
CSER280
CPRO281
CASP299
CGLY300
CILE301
CGLY302
CALA303
CTHR304
CVAL309
CASP382
CARG397
CHOH701
CHOH702
CHOH711
CHOH803
CHOH899
CHOH954
CHOH957
CHOH967

site_idAD8
Number of Residues6
Detailsbinding site for residue PEG C 503
ChainResidue
CALA259
CSER260
CARG262
CPRO263
CHOH620
CHOH966

site_idAD9
Number of Residues9
Detailsbinding site for residue PEG C 504
ChainResidue
ALEU117
AHOH620
AHOH1018
CALA97
CGLN100
CLEU117
CHOH654
CHOH980
CHOH1034

site_idAE1
Number of Residues9
Detailsbinding site for residue PEG C 505
ChainResidue
ATHR29
AHOH976
CGLY27
CTHR29
CHOH639
CHOH641
CHOH691
CHOH728
CHOH970

site_idAE2
Number of Residues6
Detailsbinding site for residue PEG C 506
ChainResidue
CPHE209
CVAL254
CGLY279
CHOH609
CHOH726
CHOH1070

site_idAE3
Number of Residues24
Detailsbinding site for residue 3UK D 900
ChainResidue
DTHR164
DPHE209
DTYR211
DGLY279
DSER280
DPRO281
DASP299
DGLY300
DILE301
DGLY302
DALA303
DTHR304
DASP382
DHIS394
DARG397
DHOH1021
DHOH1030
DHOH1157
DHOH1173
DHOH1176
DHOH1211
DHOH1213
DHOH1361
DHOH1370

site_idAE4
Number of Residues6
Detailsbinding site for residue PEG D 901
ChainResidue
DPHE12
DARG13
DLEU14
DARG36
DHOH1279
DHOH1319

site_idAE5
Number of Residues8
Detailsbinding site for residue EDO D 902
ChainResidue
DALA93
DALA97
DLEU117
DALA118
DPRO119
DHOH1083
DHOH1193
DHOH1221

site_idAE6
Number of Residues7
Detailsbinding site for residue EDO D 903
ChainResidue
DSER112
DSER114
DTHR121
DHOH1010
DHOH1138
DHOH1263
DHOH1265

site_idAE7
Number of Residues6
Detailsbinding site for residue EDO D 904
ChainResidue
DSER148
DALA149
DHOH1008
DHOH1029
DHOH1299
DHOH1386

site_idAE8
Number of Residues9
Detailsbinding site for residue EDO D 905
ChainResidue
DASN313
DGLN317
DARG319
DSER322
DGLY324
DLEU325
DHOH1035
DHOH1170
DHOH1377

site_idAE9
Number of Residues8
Detailsbinding site for residue PGE D 906
ChainResidue
CGLU388
DARG13
DHOH1015
DHOH1045
DHOH1046
DHOH1319
DHOH1440
DHOH1462

Functional Information from PROSITE/UniProt
site_idPS00213
Number of Residues14
DetailsLIPOCALIN Lipocalin signature. EEQqaRFAGGWYRT
ChainResidueDetails
AGLU367-THR380

site_idPS00455
Number of Residues12
DetailsAMP_BINDING Putative AMP-binding domain signature. LQYTSGSTGaPK
ChainResidueDetails
ALEU161-LYS172

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255
ChainResidueDetails
ALEU161
BLEU161
CLEU161
DLEU161

220472

PDB entries from 2024-05-29

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