Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

3S1A

Crystal structure of the phosphorylation-site double mutant S431E/T432E of the KaiC circadian clock protein

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 Residues22
DetailsBINDING SITE FOR RESIDUE ATP A 901
ChainResidue
ATHR290
AARG451
AILE472
AHOH527
AMG801
AMG802
BLYS457
BMET458
BARG459
BGLY460
BSER461
AGLY291
BTRP462
BHIS463
BLYS465
ATHR292
AGLY293
ALYS294
ATHR295
ALEU296
AASN327
ATRP331

site_idAC2
Number of Residues22
DetailsBINDING SITE FOR RESIDUE ATP A 903
ChainResidue
AGLY49
ATHR50
AGLY51
ALYS52
ATHR53
ALEU54
AGLU78
ASER89
APHE90
AARG218
AILE239
ATHR240
AASP241
AMG701
BLYS224
BLEU225
BARG226
BTHR228
BSER229
BHIS230
BLYS232
BMG702

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 801
ChainResidue
ATHR295
AGLU319
AASP378
AHOH527
AATP901
BARG459

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 802
ChainResidue
ATHR290
ALYS294
ATHR415
AATP901
BGLU432

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG A 701
ChainResidue
ATHR53
AASP145
AATP903

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 526
ChainResidue
AGLU431
AGLU432
ALYS457
FTHR290
FATP901

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 702
ChainResidue
ASER48
AATP903
BGLU198
BPHE199
BLYS224

site_idAC8
Number of Residues21
DetailsBINDING SITE FOR RESIDUE ATP B 901
ChainResidue
BTHR290
BGLY291
BTHR292
BGLY293
BLYS294
BTHR295
BLEU296
BGLU318
BTRP331
BARG451
BILE472
BHOH526
BHOH527
BMG801
BMG802
CLYS457
CMET458
CARG459
CSER461
CHIS463
CLYS465

site_idAC9
Number of Residues18
DetailsBINDING SITE FOR RESIDUE ATP B 903
ChainResidue
BMG701
CLYS224
CLEU225
CARG226
CTHR228
CSER229
CHIS230
CLYS232
BGLY49
BTHR50
BGLY51
BLYS52
BTHR53
BLEU54
BSER89
BPHE90
BILE239
BASP241

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG B 801
ChainResidue
BTHR295
BGLU318
BASP378
BHOH526
BHOH527
BHOH530
BATP901

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 802
ChainResidue
BTHR290
BLYS294
BTHR415
BATP901
CGLU432

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 701
ChainResidue
BLYS52
BTHR53
BASP145
BTHR181
BATP903

site_idBC4
Number of Residues23
DetailsBINDING SITE FOR RESIDUE ATP C 901
ChainResidue
CTHR290
CGLY291
CTHR292
CGLY293
CLYS294
CTHR295
CLEU296
CGLU318
CSER330
CTRP331
CARG451
CILE472
CHOH526
CHOH527
CMG801
CMG802
DLYS457
DMET458
DARG459
DSER461
DTRP462
DHIS463
DLYS465

site_idBC5
Number of Residues20
DetailsBINDING SITE FOR RESIDUE ATP C 903
ChainResidue
CSER48
CGLY49
CTHR50
CGLY51
CLYS52
CTHR53
CLEU54
CSER89
CPHE90
CILE239
CTHR240
CMG701
CMG702
DLYS224
DLEU225
DARG226
DGLY227
DTHR228
DSER229
DHIS230

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG C 802
ChainResidue
CTHR290
CTHR415
CATP901
DGLU432

site_idBC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG C 801
ChainResidue
CTHR295
CGLU318
CGLU319
CHOH526
CHOH527
CATP901

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG C 701
ChainResidue
CTHR53
CASP145
CMG702
CATP903

site_idBC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG C 702
ChainResidue
CTHR53
CGLU78
CMG701
CATP903
DARG226

site_idCC1
Number of Residues22
DetailsBINDING SITE FOR RESIDUE ATP D 901
ChainResidue
DTHR290
DGLY291
DTHR292
DGLY293
DLYS294
DTHR295
DLEU296
DGLU318
DTRP331
DARG451
DILE472
DHOH526
DMG801
DMG802
ELYS457
EMET458
EARG459
EGLY460
ESER461
ETRP462
EHIS463
ELYS465

site_idCC2
Number of Residues24
DetailsBINDING SITE FOR RESIDUE ATP D 903
ChainResidue
DGLY49
DTHR50
DGLY51
DLYS52
DTHR53
DLEU54
DGLU78
DSER89
DPHE90
DARG218
DILE239
DTHR240
DASP241
DHOH529
DHOH533
DMG701
DMG702
ELYS224
ELEU225
EARG226
ETHR228
ESER229
EHIS230
ELYS232

site_idCC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG D 802
ChainResidue
DTHR295
DGLU318
DHOH526
DHOH527
DATP901

site_idCC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG D 801
ChainResidue
DTHR290
DLYS294
DTHR415
DATP901
EGLU432

site_idCC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG D 701
ChainResidue
DSER48
DLYS52
DATP903
EPHE199

site_idCC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG D 702
ChainResidue
DLYS52
DTHR53
DHOH528
DHOH529
DATP903

site_idCC7
Number of Residues21
DetailsBINDING SITE FOR RESIDUE ATP E 901
ChainResidue
ETHR290
EGLY291
ETHR292
EGLY293
ELYS294
ETHR295
ELEU296
ETRP331
EARG451
EILE472
ESER473
EASP474
EMG801
EMG802
FLYS457
FMET458
FARG459
FSER461
FTRP462
FHIS463
FLYS465

site_idCC8
Number of Residues20
DetailsBINDING SITE FOR RESIDUE ATP E 903
ChainResidue
EGLY49
ETHR50
EGLY51
ELYS52
ETHR53
ELEU54
EGLU78
ESER89
EPHE90
EILE239
EASP241
EHOH533
FLYS224
FLEU225
FARG226
FTHR228
FSER229
FHIS230
FLYS232
FHOH537

site_idCC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG E 801
ChainResidue
ETHR295
EGLU318
EATP901

site_idDC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG E 802
ChainResidue
ETHR290
ETHR415
EATP901
FGLU432
FLYS457

site_idDC2
Number of Residues20
DetailsBINDING SITE FOR RESIDUE ATP F 901
ChainResidue
ALYS457
AMET458
AARG459
ASER461
AHIS463
AMG526
FTHR290
FGLY291
FTHR292
FGLY293
FLYS294
FTHR295
FLEU296
FGLU318
FTRP331
FARG451
FILE472
FASP474
FHOH535
FMG802

site_idDC3
Number of Residues20
DetailsBINDING SITE FOR RESIDUE ATP F 903
ChainResidue
ALYS224
AARG226
ATHR228
ASER229
AHIS230
ALYS232
FGLY49
FTHR50
FGLY51
FLYS52
FTHR53
FLEU54
FGLU78
FSER89
FPHE90
FILE239
FTHR240
FASP241
FMG701
FMG702

site_idDC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG F 701
ChainResidue
FTHR53
FASP145
FATP903

site_idDC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG F 702
ChainResidue
APHE199
ALYS224
FSER48
FGLY49
FLYS52
FATP903

site_idDC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG F 802
ChainResidue
FTHR295
FGLU318
FGLU319
FATP901

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Proton acceptor in CI (KaiC 1) => ECO:0000305|PubMed:22304631
ChainResidueDetails
BGLU77
CGLU77
DGLU77
EGLU77

site_idSWS_FT_FI2
Number of Residues4
DetailsACT_SITE: Proton acceptor in CII (KaiC 2) => ECO:0000305|PubMed:22304631
ChainResidueDetails
BGLU318
CGLU318
DGLU318
EGLU318

site_idSWS_FT_FI3
Number of Residues100
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
BGLY49
BHIS230
ELYS465
BTHR240
BASP241
BTHR290
BGLY291
BTHR292
BGLY293
BLYS294
BLEU296
BTRP331
BTHR50
BARG451
BLYS457
BARG459
BSER461
BHIS463
BLYS465
CGLY49
CTHR50
CGLY51
CLYS52
BGLY51
CLEU54
CSER89
CLYS224
CARG226
CTHR228
CHIS230
CTHR240
CASP241
CTHR290
CGLY291
BLYS52
CTHR292
CGLY293
CLYS294
CLEU296
CTRP331
CARG451
CLYS457
CARG459
CSER461
CHIS463
BLEU54
CLYS465
DGLY49
DTHR50
DGLY51
DLYS52
DLEU54
DSER89
DLYS224
DARG226
DTHR228
BSER89
DHIS230
DTHR240
DASP241
DTHR290
DGLY291
DTHR292
DGLY293
DLYS294
DLEU296
DTRP331
BLYS224
DARG451
DLYS457
DARG459
DSER461
DHIS463
DLYS465
EGLY49
ETHR50
EGLY51
ELYS52
BARG226
ELEU54
ESER89
ELYS224
EARG226
ETHR228
EHIS230
ETHR240
EASP241
ETHR290
EGLY291
BTHR228
ETHR292
EGLY293
ELYS294
ELEU296
ETRP331
EARG451
ELYS457
EARG459
ESER461
EHIS463

site_idSWS_FT_FI4
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01836, ECO:0007744|PDB:4DUG, ECO:0007744|PDB:4TL6, ECO:0007744|PDB:7DXQ
ChainResidueDetails
BTHR53
CTHR53
DTHR53
ETHR53

site_idSWS_FT_FI5
Number of Residues8
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
BLEU225
BMET458
CLEU225
CMET458
DLEU225
DMET458
ELEU225
EMET458

site_idSWS_FT_FI6
Number of Residues4
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
BTHR295
CTHR295
DTHR295
ETHR295

site_idSWS_FT_FI7
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01836, ECO:0000269|PubMed:15304218, ECO:0000269|PubMed:16628225
ChainResidueDetails
BGLU318
CGLU318
DGLU318
EGLU318

site_idSWS_FT_FI8
Number of Residues4
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
BGLU431
CGLU431
DGLU431
EGLU431

site_idSWS_FT_FI9
Number of Residues4
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
BGLU432
CGLU432
DGLU432
EGLU432

223166

PDB entries from 2024-07-31

PDB statisticsPDBj update infoContact PDBjnumon