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4DUG

Crystal Structure of Circadian Clock Protein KaiC E318A Mutant

Replaces:  3UA2
Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0003677molecular_functionDNA binding
A0004674molecular_functionprotein serine/threonine kinase activity
A0004712molecular_functionprotein serine/threonine/tyrosine kinase activity
A0005515molecular_functionprotein binding
A0005524molecular_functionATP binding
A0006355biological_processregulation of DNA-templated transcription
A0007623biological_processcircadian rhythm
A0009649biological_processentrainment of circadian clock
A0016787molecular_functionhydrolase activity
A0016887molecular_functionATP hydrolysis activity
A0042752biological_processregulation of circadian rhythm
A0042754biological_processnegative regulation of circadian rhythm
A0042802molecular_functionidentical protein binding
A0046872molecular_functionmetal ion binding
A0048511biological_processrhythmic process
A0070297biological_processregulation of phosphorelay signal transduction system
A0106310molecular_functionprotein serine kinase activity
B0000287molecular_functionmagnesium ion binding
B0003677molecular_functionDNA binding
B0004674molecular_functionprotein serine/threonine kinase activity
B0004712molecular_functionprotein serine/threonine/tyrosine kinase activity
B0005515molecular_functionprotein binding
B0005524molecular_functionATP binding
B0006355biological_processregulation of DNA-templated transcription
B0007623biological_processcircadian rhythm
B0009649biological_processentrainment of circadian clock
B0016787molecular_functionhydrolase activity
B0016887molecular_functionATP hydrolysis activity
B0042752biological_processregulation of circadian rhythm
B0042754biological_processnegative regulation of circadian rhythm
B0042802molecular_functionidentical protein binding
B0046872molecular_functionmetal ion binding
B0048511biological_processrhythmic process
B0070297biological_processregulation of phosphorelay signal transduction system
B0106310molecular_functionprotein serine kinase activity
C0000287molecular_functionmagnesium ion binding
C0003677molecular_functionDNA binding
C0004674molecular_functionprotein serine/threonine kinase activity
C0004712molecular_functionprotein serine/threonine/tyrosine kinase activity
C0005515molecular_functionprotein binding
C0005524molecular_functionATP binding
C0006355biological_processregulation of DNA-templated transcription
C0007623biological_processcircadian rhythm
C0009649biological_processentrainment of circadian clock
C0016787molecular_functionhydrolase activity
C0016887molecular_functionATP hydrolysis activity
C0042752biological_processregulation of circadian rhythm
C0042754biological_processnegative regulation of circadian rhythm
C0042802molecular_functionidentical protein binding
C0046872molecular_functionmetal ion binding
C0048511biological_processrhythmic process
C0070297biological_processregulation of phosphorelay signal transduction system
C0106310molecular_functionprotein serine kinase activity
D0000287molecular_functionmagnesium ion binding
D0003677molecular_functionDNA binding
D0004674molecular_functionprotein serine/threonine kinase activity
D0004712molecular_functionprotein serine/threonine/tyrosine kinase activity
D0005515molecular_functionprotein binding
D0005524molecular_functionATP binding
D0006355biological_processregulation of DNA-templated transcription
D0007623biological_processcircadian rhythm
D0009649biological_processentrainment of circadian clock
D0016787molecular_functionhydrolase activity
D0016887molecular_functionATP hydrolysis activity
D0042752biological_processregulation of circadian rhythm
D0042754biological_processnegative regulation of circadian rhythm
D0042802molecular_functionidentical protein binding
D0046872molecular_functionmetal ion binding
D0048511biological_processrhythmic process
D0070297biological_processregulation of phosphorelay signal transduction system
D0106310molecular_functionprotein serine kinase activity
E0000287molecular_functionmagnesium ion binding
E0003677molecular_functionDNA binding
E0004674molecular_functionprotein serine/threonine kinase activity
E0004712molecular_functionprotein serine/threonine/tyrosine kinase activity
E0005515molecular_functionprotein binding
E0005524molecular_functionATP binding
E0006355biological_processregulation of DNA-templated transcription
E0007623biological_processcircadian rhythm
E0009649biological_processentrainment of circadian clock
E0016787molecular_functionhydrolase activity
E0016887molecular_functionATP hydrolysis activity
E0042752biological_processregulation of circadian rhythm
E0042754biological_processnegative regulation of circadian rhythm
E0042802molecular_functionidentical protein binding
E0046872molecular_functionmetal ion binding
E0048511biological_processrhythmic process
E0070297biological_processregulation of phosphorelay signal transduction system
E0106310molecular_functionprotein serine kinase activity
F0000287molecular_functionmagnesium ion binding
F0003677molecular_functionDNA binding
F0004674molecular_functionprotein serine/threonine kinase activity
F0004712molecular_functionprotein serine/threonine/tyrosine kinase activity
F0005515molecular_functionprotein binding
F0005524molecular_functionATP binding
F0006355biological_processregulation of DNA-templated transcription
F0007623biological_processcircadian rhythm
F0009649biological_processentrainment of circadian clock
F0016787molecular_functionhydrolase activity
F0016887molecular_functionATP hydrolysis activity
F0042752biological_processregulation of circadian rhythm
F0042754biological_processnegative regulation of circadian rhythm
F0042802molecular_functionidentical protein binding
F0046872molecular_functionmetal ion binding
F0048511biological_processrhythmic process
F0070297biological_processregulation of phosphorelay signal transduction system
F0106310molecular_functionprotein serine kinase activity
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG A 801
ChainResidue
ATHR295
AGLU319
AATP802
AHOH901

site_idAC2
Number of Residues23
DetailsBINDING SITE FOR RESIDUE ATP A 802
ChainResidue
ATHR295
ALEU296
ATRP331
ATHR415
AARG451
AILE472
ASER473
AASP474
AMG801
AHOH901
BTPO432
BLYS457
BMET458
BARG459
BGLY460
BSER461
BTRP462
BHIS463
ATHR290
AGLY291
ATHR292
AGLY293
ALYS294

site_idAC3
Number of Residues22
DetailsBINDING SITE FOR RESIDUE ATP A 803
ChainResidue
AGLY49
ATHR50
AGLY51
ALYS52
ATHR53
ALEU54
ASER89
APHE90
AARG218
AILE239
ATHR240
AASP241
AMG804
BLEU223
BLYS224
BLEU225
BARG226
BGLY227
BTHR228
BSER229
BHIS230
BLYS232

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG A 804
ChainResidue
ATHR53
AASP145
AATP803

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 601
ChainResidue
BTHR295
BATP602
BHOH710
BHOH711
CARG459

site_idAC6
Number of Residues20
DetailsBINDING SITE FOR RESIDUE ATP B 602
ChainResidue
BTHR290
BGLY291
BTHR292
BGLY293
BLYS294
BTHR295
BLEU296
BTRP331
BTHR415
BARG451
BILE472
BMG601
BHOH710
CTPO432
CLYS457
CMET458
CARG459
CSER461
CTRP462
CHIS463

site_idAC7
Number of Residues23
DetailsBINDING SITE FOR RESIDUE ATP B 603
ChainResidue
CHIS230
BSER48
BGLY49
BTHR50
BGLY51
BLYS52
BTHR53
BLEU54
BSER89
BPHE90
BARG218
BILE239
BTHR240
BASP241
BMG604
BHOH701
CLEU223
CLYS224
CLEU225
CARG226
CGLY227
CTHR228
CSER229

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 604
ChainResidue
BLYS52
BTHR53
BASP145
BATP603
BHOH701

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG C 601
ChainResidue
CTHR295
CATP602
CHOH706

site_idBC1
Number of Residues19
DetailsBINDING SITE FOR RESIDUE ATP C 602
ChainResidue
CTHR290
CGLY291
CTHR292
CGLY293
CLYS294
CTHR295
CLEU296
CSER330
CTRP331
CARG451
CILE472
CASP474
CMG601
DLYS457
DMET458
DARG459
DSER461
DTRP462
DHIS463

site_idBC2
Number of Residues22
DetailsBINDING SITE FOR RESIDUE ATP C 603
ChainResidue
CSER48
CGLY49
CTHR50
CGLY51
CLYS52
CTHR53
CLEU54
CSER89
CPHE90
CARG218
CILE239
CTHR240
CASP241
CMG604
DLEU223
DLYS224
DLEU225
DARG226
DGLY227
DTHR228
DSER229
DHIS230

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG C 604
ChainResidue
CTHR53
CGLU78
CASP145
CATP603
DARG226

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 C 605
ChainResidue
CTHR47
CGLU187
CARG216
CHOH705
DILE191

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG D 601
ChainResidue
DTHR295
DGLU319
DATP602
DHOH708

site_idBC6
Number of Residues19
DetailsBINDING SITE FOR RESIDUE ATP D 602
ChainResidue
DTHR290
DGLY291
DGLY293
DLYS294
DTHR295
DLEU296
DTRP331
DARG451
DILE472
DASP474
DMG601
DHOH708
ELYS457
EMET458
EARG459
EGLY460
ESER461
ETRP462
EHIS463

site_idBC7
Number of Residues20
DetailsBINDING SITE FOR RESIDUE ATP D 603
ChainResidue
DGLY49
DGLY51
DLYS52
DTHR53
DLEU54
DSER89
DPHE90
DARG218
DILE239
DASP241
DMG604
DHOH711
DHOH712
DHOH714
ELYS224
ELEU225
EARG226
ETHR228
ESER229
EHIS230

site_idBC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG D 604
ChainResidue
DLYS52
DTHR53
DASP145
DATP603
DHOH711
DHOH714

site_idBC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG E 601
ChainResidue
ETHR295
EATP602
EHOH715

site_idCC1
Number of Residues19
DetailsBINDING SITE FOR RESIDUE ATP E 602
ChainResidue
ETHR290
EGLY291
ETHR292
EGLY293
ELYS294
ETHR295
ELEU296
ESER330
ETRP331
EILE472
ESER473
EMG601
FLYS457
FMET458
FARG459
FSER461
FTRP462
FHIS463
FLYS465

site_idCC2
Number of Residues21
DetailsBINDING SITE FOR RESIDUE ATP E 603
ChainResidue
EGLY49
ETHR50
EGLY51
ELYS52
ETHR53
ELEU54
EGLU78
ESER89
EPHE90
EILE239
EASP241
EMG604
EHOH710
FLEU223
FLYS224
FLEU225
FARG226
FTHR228
FSER229
FHIS230
FLYS232

site_idCC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG E 604
ChainResidue
ETHR53
EASP145
EATP603

site_idCC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG F 601
ChainResidue
AARG459
FTHR295
FGLU319
FATP602

site_idCC5
Number of Residues21
DetailsBINDING SITE FOR RESIDUE ATP F 602
ChainResidue
ALYS457
AMET458
AARG459
AGLY460
ASER461
ATRP462
AHIS463
ALYS465
FTHR290
FGLY291
FTHR292
FGLY293
FLYS294
FTHR295
FLEU296
FTRP331
FARG451
FILE472
FSER473
FASP474
FMG601

site_idCC6
Number of Residues22
DetailsBINDING SITE FOR RESIDUE ATP F 603
ChainResidue
ALEU223
ALYS224
AARG226
ATHR228
ASER229
AHIS230
ALYS232
AHOH907
FGLY49
FTHR50
FGLY51
FLYS52
FTHR53
FLEU54
FSER89
FPHE90
FILE239
FTHR240
FASP241
FMG604
FHOH701
FHOH704

site_idCC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG F 604
ChainResidue
FTHR53
FASP145
FATP603
FHOH701

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton acceptor in CI (KaiC 1) => ECO:0000305|PubMed:22304631
ChainResidueDetails
DGLU77
BGLU77
CGLU77
EGLU77
FGLU77

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Proton acceptor in CII (KaiC 2) => ECO:0000305|PubMed:22304631
ChainResidueDetails
DALA318
BALA318
CALA318
EALA318
FALA318

site_idSWS_FT_FI3
Number of Residues25
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01836, ECO:0000269|PubMed:15304218, ECO:0000269|PubMed:16628225, ECO:0000269|PubMed:22304631, ECO:0007744|PDB:1TF7, ECO:0007744|PDB:2GBL, ECO:0007744|PDB:4DUG
ChainResidueDetails
DGLY49
DHIS230
ELYS465
FGLY49
FTHR50
FGLY51
FLYS52
FLEU54
FSER89
FLYS224
FARG226
FTHR228
DTHR240
FHIS230
FTHR240
FASP241
FTHR290
FGLY291
FTHR292
FGLY293
FLYS294
FLEU296
FTRP331
DASP241
FARG451
FLYS457
FARG459
FSER461
FHIS463
FLYS465
DTHR290
DGLY291
DTHR292
DGLY293
DLYS294
DLEU296
DTRP331
DTHR50
DARG451
DLYS457
DARG459
DSER461
DHIS463
DLYS465
BGLY49
BTHR50
BGLY51
BLYS52
DGLY51
BLEU54
BSER89
BLYS224
BARG226
BTHR228
BHIS230
BTHR240
BASP241
BTHR290
BGLY291
DLYS52
BTHR292
BGLY293
BLYS294
BLEU296
BTRP331
BARG451
BLYS457
BARG459
BSER461
BHIS463
DLEU54
BLYS465
CGLY49
CTHR50
CGLY51
CLYS52
CLEU54
CSER89
CLYS224
CARG226
CTHR228
DSER89
CHIS230
CTHR240
CASP241
CTHR290
CGLY291
CTHR292
CGLY293
CLYS294
CLEU296
CTRP331
DLYS224
CARG451
CLYS457
CARG459
CSER461
CHIS463
CLYS465
EGLY49
ETHR50
EGLY51
ELYS52
DARG226
ELEU54
ESER89
ELYS224
EARG226
ETHR228
EHIS230
ETHR240
EASP241
ETHR290
EGLY291
DTHR228
ETHR292
EGLY293
ELYS294
ELEU296
ETRP331
EARG451
ELYS457
EARG459
ESER461
EHIS463

site_idSWS_FT_FI4
Number of Residues1
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01836, ECO:0007744|PDB:4DUG, ECO:0007744|PDB:4TL6, ECO:0007744|PDB:7DXQ
ChainResidueDetails
DTHR53
BTHR53
CTHR53
ETHR53
FTHR53

site_idSWS_FT_FI5
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01836, ECO:0000269|PubMed:15304218, ECO:0000269|PubMed:16628225, ECO:0007744|PDB:1TF7, ECO:0007744|PDB:2GBL
ChainResidueDetails
DLEU225
FMET458
DMET458
BLEU225
BMET458
CLEU225
CMET458
ELEU225
EMET458
FLEU225

site_idSWS_FT_FI6
Number of Residues1
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01836, ECO:0000269|PubMed:15304218, ECO:0000269|PubMed:16628225, ECO:0007744|PDB:1U9I, ECO:0007744|PDB:2GBL, ECO:0007744|PDB:4DUG, ECO:0007744|PDB:7DXQ
ChainResidueDetails
DTHR295
BTHR295
CTHR295
ETHR295
FTHR295

site_idSWS_FT_FI7
Number of Residues1
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01836, ECO:0000269|PubMed:15304218, ECO:0000269|PubMed:16628225
ChainResidueDetails
DALA318
BALA318
CALA318
EALA318
FALA318

site_idSWS_FT_FI8
Number of Residues1
DetailsMOD_RES: Phosphoserine; by autocatalysis => ECO:0000255|HAMAP-Rule:MF_01836, ECO:0000269|PubMed:15347809, ECO:0000269|PubMed:15347812, ECO:0000269|PubMed:17717528, ECO:0000269|PubMed:17916691, ECO:0007744|PDB:1U9I, ECO:0007744|PDB:2GBL
ChainResidueDetails
DSER431
BSER431
CSER431
ESER431
FSER431

site_idSWS_FT_FI9
Number of Residues1
DetailsMOD_RES: Phosphothreonine; by autocatalysis => ECO:0000255|HAMAP-Rule:MF_01836, ECO:0000269|PubMed:15304218, ECO:0000269|PubMed:15347809, ECO:0000269|PubMed:15347812, ECO:0000269|PubMed:17717528, ECO:0000269|PubMed:17916691, ECO:0007744|PDB:1U9I, ECO:0007744|PDB:2GBL
ChainResidueDetails
DTHR432
BTPO432
CTPO432
ETPO432
FTPO432

223166

PDB entries from 2024-07-31

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