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2Y27

crystal structure of PaaK1 in complex with ATP from Burkholderia cenocepacia

Functional Information from GO Data
ChainGOidnamespacecontents
A0005524molecular_functionATP binding
A0010124biological_processphenylacetate catabolic process
A0016874molecular_functionligase activity
A0046872molecular_functionmetal ion binding
A0047475molecular_functionphenylacetate-CoA ligase activity
B0005524molecular_functionATP binding
B0010124biological_processphenylacetate catabolic process
B0016874molecular_functionligase activity
B0046872molecular_functionmetal ion binding
B0047475molecular_functionphenylacetate-CoA ligase activity
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SCN B 1431
ChainResidue
ALYS168
BALA92
BPRO100
BHOH745

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SCN A 1432
ChainResidue
AARG228
ABME506
AHOH618

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SCN B 1432
ChainResidue
BBME511
BHOH642
BALA224
BARG228

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SCN A 1444
ChainResidue
AARG302
APG4507

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SCN B 1433
ChainResidue
ALYS399
BARG62
BHOH1057
BHOH672

site_idAC6
Number of Residues1
DetailsBINDING SITE FOR RESIDUE SCN A 1433
ChainResidue
AHOH937

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SCN A 1434
ChainResidue
AALA92
APRO100
BHOH816
BLYS168

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SCN A 1435
ChainResidue
ALEU7
AHOH645
AHOH999

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SCN A 1436
ChainResidue
APHE161
AGLN165
BGLY139
BLEU140
BHOH958

site_idBC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 1437
ChainResidue
ATYR136
ATHR142
AALA214
AILE236
AGLY238
ALEU239
AGLY244
APRO245
AATP508

site_idBC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL B 1434
ChainResidue
BLEU189
BHIS356
BILE416
BGLU417
BSER419
BHOH662
BHOH790
BHOH730
BHOH875

site_idBC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL B 1435
ChainResidue
BTYR136
BPHE141
BALA214
BILE236
BGLY238
BPRO245
BLYS422
BATP512
BHOH904

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 1436
ChainResidue
AHIS36
APHE80
AALA81
AVAL82
BARG42
BGLU46
BHOH691

site_idBC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 1437
ChainResidue
AARG41
AHOH737
BHIS36
BPHE80
BVAL82
BHOH742
BHOH601
BHOH605

site_idBC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE BME B 1438
ChainResidue
BILE10
BARG25
BASP263
BHIS264
BARG334
BHOH643

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE BME B 1439
ChainResidue
APRO382
BTHR313
BARG315
BTHR316
BHOH653

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE BME B 1440
ChainResidue
BGLY95
BGLY98
BLYS99
BPRO100

site_idBC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE BME A 1438
ChainResidue
AARG228
ACYS377
ASCN501

site_idCC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE BME B 1441
ChainResidue
BARG228
BCYS377
BPRO378
BSCN502

site_idCC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE PG4 A 1439
ChainResidue
APHE65
AGLU276
ASCN512
AHOH805
AALA47
ASER61
AARG62
APHE63
APRO64

site_idCC3
Number of Residues30
DetailsBINDING SITE FOR RESIDUE ATP A 1440
ChainResidue
ALYS68
ASER93
ASER94
AGLY95
ATHR96
ATHR97
APHE141
AALA214
AGLU215
APRO216
AASP235
AILE236
ATYR237
AGLY238
ALEU239
ASER240
AASP305
AILE323
AARG326
ALYS422
AGOL505
AMG509
AHOH638
AHOH702
AHOH663
AHOH776
AHOH735
AHOH720
AHOH833
AHOH650

site_idCC4
Number of Residues30
DetailsBINDING SITE FOR RESIDUE ATP B 1442
ChainResidue
BLYS68
BSER93
BSER94
BGLY95
BTHR96
BTHR97
BPHE141
BALA214
BGLU215
BPRO216
BASP235
BILE236
BTYR237
BGLY238
BLEU239
BSER240
BASP305
BILE323
BARG326
BLYS422
BGOL505
BMG514
BHOH644
BHOH713
BHOH620
BHOH666
BHOH738
BHOH876
BHOH752
BHOH777

site_idCC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 1441
ChainResidue
AATP508
AHOH638
AHOH702
AHOH735
AHOH720

site_idCC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 1443
ChainResidue
BGLN350
BLEU353
BHOH654
BHOH869
BHOH871
BHOH642

site_idCC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 1442
ChainResidue
AGLN350
ALEU353
AHOH848
AHOH713
AHOH635
AHOH618

site_idCC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 1444
ChainResidue
BATP512
BHOH620
BHOH666
BHOH752
BHOH777

site_idCC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 1445
ChainResidue
BVAL203
BSER205
BLEU207
BMSE229
BGLY230

site_idDC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 1443
ChainResidue
AVAL203
ASER205
ALEU207
AMSE229
AGLY230
AHOH960

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PDB entries from 2024-06-12

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