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4GKI

Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NM-PP1

Functional Information from GO Data
ChainGOidnamespacecontents
A0005524molecular_functionATP binding
A0016773molecular_functionphosphotransferase activity, alcohol group as acceptor
A0046677biological_processresponse to antibiotic
B0005524molecular_functionATP binding
B0016773molecular_functionphosphotransferase activity, alcohol group as acceptor
B0046677biological_processresponse to antibiotic
C0005524molecular_functionATP binding
C0016773molecular_functionphosphotransferase activity, alcohol group as acceptor
C0046677biological_processresponse to antibiotic
D0005524molecular_functionATP binding
D0016773molecular_functionphosphotransferase activity, alcohol group as acceptor
D0046677biological_processresponse to antibiotic
E0005524molecular_functionATP binding
E0016773molecular_functionphosphotransferase activity, alcohol group as acceptor
E0046677biological_processresponse to antibiotic
F0005524molecular_functionATP binding
F0016773molecular_functionphosphotransferase activity, alcohol group as acceptor
F0046677biological_processresponse to antibiotic
G0005524molecular_functionATP binding
G0016773molecular_functionphosphotransferase activity, alcohol group as acceptor
G0046677biological_processresponse to antibiotic
H0005524molecular_functionATP binding
H0016773molecular_functionphosphotransferase activity, alcohol group as acceptor
H0046677biological_processresponse to antibiotic
I0005524molecular_functionATP binding
I0016773molecular_functionphosphotransferase activity, alcohol group as acceptor
I0046677biological_processresponse to antibiotic
J0005524molecular_functionATP binding
J0016773molecular_functionphosphotransferase activity, alcohol group as acceptor
J0046677biological_processresponse to antibiotic
K0005524molecular_functionATP binding
K0016773molecular_functionphosphotransferase activity, alcohol group as acceptor
K0046677biological_processresponse to antibiotic
L0005524molecular_functionATP binding
L0016773molecular_functionphosphotransferase activity, alcohol group as acceptor
L0046677biological_processresponse to antibiotic
Functional Information from PDB Data
site_idAC1
Number of Residues23
DetailsBINDING SITE FOR RESIDUE KAN A 301
ChainResidue
AASP165
AHOH402
AHOH408
AHOH412
AHOH416
AHOH446
AHOH447
AHOH463
AHOH470
AHOH488
AHOH581
AASP167
AHOH587
AHOH591
AHOH605
HGLY252
AASP198
AASN234
ACYS235
AGLU238
AASP268
AGLU269
APHE271

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE 0JN A 302
ChainResidue
AASP31
APHE53
AALA100
AILE101
AILE215
AHOH476

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA A 303
ChainResidue
ATHR76
AMSE79
AACT307
AHOH569
AHOH659

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA A 304
ChainResidue
AASN234
AHOH402
AHOH424
AHOH445
AHOH458

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 305
ChainResidue
ASER242
ALYS245
LHOH540

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT A 306
ChainResidue
AGLY37
AALA38
ATHR39
AHIS56
AGLY57
ALYS58
AHOH594

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 307
ChainResidue
ATHR76
AALA77
AMSE79
ANA303
AHOH654

site_idAC8
Number of Residues1
DetailsBINDING SITE FOR RESIDUE ACT A 308
ChainResidue
AVAL109

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PEG A 309
ChainResidue
AARG129
ASER133
ATYR251
AHOH544
AHOH628

site_idBC1
Number of Residues25
DetailsBINDING SITE FOR RESIDUE KAN B 301
ChainResidue
ASER2
AHIS3
AHOH456
BGLN35
BASP165
BPHE166
BASP167
BASP198
BARG219
BASN234
BCYS235
BASP268
BGLU269
BPHE271
BHOH406
BHOH413
BHOH415
BHOH433
BHOH439
BHOH444
BHOH518
BHOH550
BHOH606
BHOH671
CARG6

site_idBC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 0JN B 302
ChainResidue
AGLN5
BASP31
BILE40
BPHE53
BALA100
BILE101
BGLY103
BILE215
BASP216
BHOH425

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 303
ChainResidue
BHOH437
BVAL109
BTYR113
BSER116
BGLY209

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PEG B 304
ChainResidue
BARG129
BHIS132
BSER133
BARG225
BTYR251

site_idBC5
Number of Residues22
DetailsBINDING SITE FOR RESIDUE KAN C 301
ChainResidue
CASP165
CASP167
CASP198
CASN234
CCYS235
CGLU238
CASP268
CGLU269
CPHE271
CHOH403
CHOH408
CHOH415
CHOH443
CHOH446
CHOH460
CHOH463
CHOH508
CHOH538
CHOH596
CHOH620
LGLY252
LHOH524

site_idBC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE 0JN C 302
ChainResidue
CPHE53
CALA100
CILE101
CGLY103
CILE215
CHOH516

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA C 303
ChainResidue
CTHR76
CMSE79
CACT308
CHOH537
CHOH563

site_idBC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA C 304
ChainResidue
CASN234
CHOH466
CHOH469
CHOH525
LHOH524

site_idBC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT C 305
ChainResidue
CVAL109
CTYR113
CILE120
CHOH580

site_idCC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT C 306
ChainResidue
CTRP233
CGLN262
CHOH437

site_idCC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT C 307
ChainResidue
CLYS184
CLEU185
CLEU186
CPRO187
CASN259

site_idCC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT C 308
ChainResidue
CTHR76
CMSE79
CPRO80
CARG130
CNA303

site_idCC4
Number of Residues22
DetailsBINDING SITE FOR RESIDUE KAN D 301
ChainResidue
CSER2
CHIS3
CHOH600
DASP165
DASP167
DASP198
DASN234
DCYS235
DGLU238
DASP268
DGLU269
DPHE271
DHOH418
DHOH420
DHOH430
DHOH432
DHOH439
DHOH446
DHOH492
DHOH510
DHOH550
DHOH563

site_idCC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 0JN D 302
ChainResidue
CGLN5
DASP31
DILE40
DPHE53
DILE101
DGLY103
DILE215
DHOH412

site_idCC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA D 303
ChainResidue
DTHR76
DMSE79
DACT304
DHOH507
DHOH526

site_idCC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT D 304
ChainResidue
DTHR76
DALA77
DPHE78
DMSE79
DPRO80
DNA303

site_idCC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT D 305
ChainResidue
DTYR113
DSER116
DHOH585
DHOH665

site_idCC9
Number of Residues23
DetailsBINDING SITE FOR RESIDUE KAN E 301
ChainResidue
EGLN35
EASP165
EPHE166
EASP167
EASP198
EARG219
EASN234
ECYS235
EGLU238
EASP268
EGLU269
EPHE271
EHOH413
EHOH428
EHOH431
EHOH433
EHOH452
EHOH482
EHOH514
EHOH542
EHOH604
EHOH627
EHOH660

site_idDC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 0JN E 302
ChainResidue
EASP31
EILE40
EPHE53
EALA100
EILE101
EGLY103
EILE205
EILE215
EHOH408
EHOH444
EHOH558
FGLU7

site_idDC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA E 303
ChainResidue
ETHR76
EMSE79
EACT307
EHOH467
EHOH520

site_idDC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT E 304
ChainResidue
EASP168
EGLU169
EASN171

site_idDC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT E 305
ChainResidue
EGLU169
ETRP233
EMSE258
ELEU261
EGLN262
ELEU265

site_idDC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT E 306
ChainResidue
DPHE239
EARG30
ETHR39

site_idDC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT E 307
ChainResidue
ETHR76
EALA77
EPHE78
EMSE79
EPRO80
ENA303

site_idDC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT E 308
ChainResidue
EVAL109
ESER116
EGLY209
EHOH459

site_idDC8
Number of Residues21
DetailsBINDING SITE FOR RESIDUE KAN F 301
ChainResidue
FASP165
FPHE166
FASP167
FASP198
FARG219
FASN234
FCYS235
FGLU238
FASP268
FGLU269
FPHE271
FHOH411
FHOH415
FHOH421
FHOH423
FHOH431
FHOH434
FHOH471
FHOH473
FHOH532
FHOH612

site_idDC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 0JN F 302
ChainResidue
EARG6
FASP31
FPHE53
FALA100
FILE101
FGLY103
FILE215
FHOH460

site_idEC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA F 303
ChainResidue
FTHR76
FMSE79
FHOH600
FHOH641

site_idEC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT F 304
ChainResidue
FGLY37
FTHR39
FHIS56
FGLY57
FLYS58
FVAL61

site_idEC3
Number of Residues24
DetailsBINDING SITE FOR RESIDUE KAN G 301
ChainResidue
EGLY252
EASP254
EHOH533
GASP165
GASP167
GASP198
GASN234
GCYS235
GGLU238
GASP268
GGLU269
GPHE271
GHOH402
GHOH406
GHOH413
GHOH423
GHOH434
GHOH465
GHOH481
GHOH490
GHOH492
GHOH523
GHOH587
GHOH599

site_idEC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 0JN G 302
ChainResidue
GASP31
GARG42
GPHE53
GILE101
GHOH581
GHOH621
GHOH622
GHOH642

site_idEC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA G 303
ChainResidue
GTHR76
GMSE79
GHOH529
GHOH541
GHOH708

site_idEC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA G 304
ChainResidue
EASP254
EHOH533
GASN234
GHOH426
GHOH516
GHOH530

site_idEC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT G 305
ChainResidue
GTRP233
GGLN262
GLEU265
GHOH598

site_idEC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT G 306
ChainResidue
GTYR113
GHOH509

site_idEC9
Number of Residues23
DetailsBINDING SITE FOR RESIDUE KAN H 301
ChainResidue
GSER2
GHIS3
HASP165
HPHE166
HASP167
HASP198
HASN234
HCYS235
HGLU238
HASP268
HGLU269
HPHE271
HHOH411
HHOH438
HHOH449
HHOH458
HHOH459
HHOH473
HHOH477
HHOH508
HHOH517
HHOH560
HHOH598

site_idFC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 0JN H 302
ChainResidue
GGLN5
HASP31
HILE40
HPHE53
HALA100
HILE101
HGLY103
HILE215
HASP216
HHOH410

site_idFC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA H 303
ChainResidue
HTHR76
HMSE79
HACT304
HHOH521
HHOH628

site_idFC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT H 304
ChainResidue
HTHR76
HALA77
HMSE79
HPRO80
HNA303

site_idFC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT H 305
ChainResidue
HTRP233
HMSE258
HGLN262
HHOH660

site_idFC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT H 306
ChainResidue
HVAL109
HSER116
HHOH485

site_idFC6
Number of Residues26
DetailsBINDING SITE FOR RESIDUE KAN I 301
ChainResidue
GARG6
GHOH466
GHOH571
IGLN35
IASP165
IASP167
IASP198
IARG219
IASN234
ICYS235
IASP268
IGLU269
IPHE271
IHOH418
IHOH428
IHOH431
IHOH432
IHOH459
IHOH476
IHOH484
IHOH500
IHOH534
IHOH570
IHOH622
JSER2
JHIS3

site_idFC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE 0JN I 302
ChainResidue
IASP31
IILE40
IPHE53
ITHR99
IALA100
IILE101
IGLY103
IILE215
JGLN5

site_idFC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT I 303
ChainResidue
IVAL109
IGLY209
KPRO241

site_idFC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PEG I 304
ChainResidue
IARG129
ISER133
IARG225
ITYR251
IHOH482

site_idGC1
Number of Residues21
DetailsBINDING SITE FOR RESIDUE KAN J 301
ChainResidue
DGLY252
DASP254
JASP165
JASP167
JASP198
JASN234
JCYS235
JGLU238
JASP268
JGLU269
JPHE271
JHOH405
JHOH410
JHOH432
JHOH445
JHOH469
JHOH475
JHOH510
JHOH594
JHOH603
JHOH608

site_idGC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 0JN J 302
ChainResidue
JASP31
JILE40
JPHE53
JLYS55
JALA100
JILE101
JGLY103
JTHR105
JILE205
JILE215
JHOH451
JHOH684

site_idGC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA J 303
ChainResidue
JTHR76
JMSE79
JACT306
JHOH459
JHOH683

site_idGC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA J 304
ChainResidue
JASN234
JHOH410
JHOH425
JHOH428
JHOH461

site_idGC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT J 305
ChainResidue
JVAL109
JTYR113
JSER116

site_idGC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT J 306
ChainResidue
JMSE79
JPRO80
JNA303

site_idGC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PEG J 307
ChainResidue
JGLY37
JTHR39
JHIS56
JLYS58
JVAL61

site_idGC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PEG J 308
ChainResidue
JARG129
JSER133
JGLY252

site_idGC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PEG J 309
ChainResidue
CGLN153
JASN158
JHOH601
JHOH663

site_idHC1
Number of Residues20
DetailsBINDING SITE FOR RESIDUE KAN K 301
ChainResidue
KGLN35
KASP165
KASP167
KASP198
KARG219
KASN234
KCYS235
KGLU238
KASP268
KGLU269
KPHE271
KHOH402
KHOH412
KHOH424
KHOH432
KHOH447
KHOH509
KHOH519
KHOH524
KHOH539

site_idHC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE 0JN K 302
ChainResidue
KASP31
KPHE53
KTHR99
KALA100
KILE101
KGLY103
KILE215
KASP216
KHOH586

site_idHC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA K 303
ChainResidue
KTHR76
KMSE79
KHOH502
KHOH597

site_idHC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT K 304
ChainResidue
KGLY37
KALA38
KTHR39
KHIS56
KLYS58
KVAL61

site_idHC5
Number of Residues27
DetailsBINDING SITE FOR RESIDUE KAN L 301
ChainResidue
AARG6
KSER2
KHOH421
LGLN35
LASP165
LPHE166
LASP167
LASP198
LARG219
LASN234
LCYS235
LGLU238
LASP268
LGLU269
LPHE271
LHOH409
LHOH421
LHOH426
LHOH436
LHOH448
LHOH458
LHOH484
LHOH490
LHOH491
LHOH543
LHOH551
LHOH623

site_idHC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE 0JN L 302
ChainResidue
LASP31
LILE40
LPHE53
LALA100
LILE101
LGLY103
LILE215
LASP216
LHOH432

site_idHC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA L 303
ChainResidue
LTHR76
LMSE79
LACT304
LHOH482
LHOH509

site_idHC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT L 304
ChainResidue
LTHR76
LALA77
LPHE78
LMSE79
LPRO80
LNA303

site_idHC9
Number of Residues1
DetailsBINDING SITE FOR RESIDUE ACT L 305
ChainResidue
LTRP233

site_idIC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT L 306
ChainResidue
LLEU81
LHOH657

Functional Information from PROSITE/UniProt
site_idPS00109
Number of Residues13
DetailsPROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. VTHgDFSLDNLIF
ChainResidueDetails
AVAL194-PHE206

222926

PDB entries from 2024-07-24

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