3K09
Crystal structure of the phosphorylation-site mutant S431D of the KaiC circadian clock protein
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000287 | molecular_function | magnesium ion binding |
A | 0003677 | molecular_function | DNA binding |
A | 0004674 | molecular_function | protein serine/threonine kinase activity |
A | 0004712 | molecular_function | protein serine/threonine/tyrosine kinase activity |
A | 0005515 | molecular_function | protein binding |
A | 0005524 | molecular_function | ATP binding |
A | 0006338 | biological_process | chromatin remodeling |
A | 0006355 | biological_process | regulation of DNA-templated transcription |
A | 0007623 | biological_process | circadian rhythm |
A | 0009649 | biological_process | entrainment of circadian clock |
A | 0016310 | biological_process | phosphorylation |
A | 0016787 | molecular_function | hydrolase activity |
A | 0016887 | molecular_function | ATP hydrolysis activity |
A | 0042752 | biological_process | regulation of circadian rhythm |
A | 0042754 | biological_process | negative regulation of circadian rhythm |
A | 0042802 | molecular_function | identical protein binding |
A | 0044024 | molecular_function | histone H2AS1 kinase activity |
A | 0046872 | molecular_function | metal ion binding |
A | 0048511 | biological_process | rhythmic process |
A | 0070297 | biological_process | regulation of phosphorelay signal transduction system |
A | 0106310 | molecular_function | protein serine kinase activity |
B | 0000287 | molecular_function | magnesium ion binding |
B | 0003677 | molecular_function | DNA binding |
B | 0004674 | molecular_function | protein serine/threonine kinase activity |
B | 0004712 | molecular_function | protein serine/threonine/tyrosine kinase activity |
B | 0005515 | molecular_function | protein binding |
B | 0005524 | molecular_function | ATP binding |
B | 0006338 | biological_process | chromatin remodeling |
B | 0006355 | biological_process | regulation of DNA-templated transcription |
B | 0007623 | biological_process | circadian rhythm |
B | 0009649 | biological_process | entrainment of circadian clock |
B | 0016310 | biological_process | phosphorylation |
B | 0016787 | molecular_function | hydrolase activity |
B | 0016887 | molecular_function | ATP hydrolysis activity |
B | 0042752 | biological_process | regulation of circadian rhythm |
B | 0042754 | biological_process | negative regulation of circadian rhythm |
B | 0042802 | molecular_function | identical protein binding |
B | 0044024 | molecular_function | histone H2AS1 kinase activity |
B | 0046872 | molecular_function | metal ion binding |
B | 0048511 | biological_process | rhythmic process |
B | 0070297 | biological_process | regulation of phosphorelay signal transduction system |
B | 0106310 | molecular_function | protein serine kinase activity |
C | 0000287 | molecular_function | magnesium ion binding |
C | 0003677 | molecular_function | DNA binding |
C | 0004674 | molecular_function | protein serine/threonine kinase activity |
C | 0004712 | molecular_function | protein serine/threonine/tyrosine kinase activity |
C | 0005515 | molecular_function | protein binding |
C | 0005524 | molecular_function | ATP binding |
C | 0006338 | biological_process | chromatin remodeling |
C | 0006355 | biological_process | regulation of DNA-templated transcription |
C | 0007623 | biological_process | circadian rhythm |
C | 0009649 | biological_process | entrainment of circadian clock |
C | 0016310 | biological_process | phosphorylation |
C | 0016787 | molecular_function | hydrolase activity |
C | 0016887 | molecular_function | ATP hydrolysis activity |
C | 0042752 | biological_process | regulation of circadian rhythm |
C | 0042754 | biological_process | negative regulation of circadian rhythm |
C | 0042802 | molecular_function | identical protein binding |
C | 0044024 | molecular_function | histone H2AS1 kinase activity |
C | 0046872 | molecular_function | metal ion binding |
C | 0048511 | biological_process | rhythmic process |
C | 0070297 | biological_process | regulation of phosphorelay signal transduction system |
C | 0106310 | molecular_function | protein serine kinase activity |
D | 0000287 | molecular_function | magnesium ion binding |
D | 0003677 | molecular_function | DNA binding |
D | 0004674 | molecular_function | protein serine/threonine kinase activity |
D | 0004712 | molecular_function | protein serine/threonine/tyrosine kinase activity |
D | 0005515 | molecular_function | protein binding |
D | 0005524 | molecular_function | ATP binding |
D | 0006338 | biological_process | chromatin remodeling |
D | 0006355 | biological_process | regulation of DNA-templated transcription |
D | 0007623 | biological_process | circadian rhythm |
D | 0009649 | biological_process | entrainment of circadian clock |
D | 0016310 | biological_process | phosphorylation |
D | 0016787 | molecular_function | hydrolase activity |
D | 0016887 | molecular_function | ATP hydrolysis activity |
D | 0042752 | biological_process | regulation of circadian rhythm |
D | 0042754 | biological_process | negative regulation of circadian rhythm |
D | 0042802 | molecular_function | identical protein binding |
D | 0044024 | molecular_function | histone H2AS1 kinase activity |
D | 0046872 | molecular_function | metal ion binding |
D | 0048511 | biological_process | rhythmic process |
D | 0070297 | biological_process | regulation of phosphorelay signal transduction system |
D | 0106310 | molecular_function | protein serine kinase activity |
E | 0000287 | molecular_function | magnesium ion binding |
E | 0003677 | molecular_function | DNA binding |
E | 0004674 | molecular_function | protein serine/threonine kinase activity |
E | 0004712 | molecular_function | protein serine/threonine/tyrosine kinase activity |
E | 0005515 | molecular_function | protein binding |
E | 0005524 | molecular_function | ATP binding |
E | 0006338 | biological_process | chromatin remodeling |
E | 0006355 | biological_process | regulation of DNA-templated transcription |
E | 0007623 | biological_process | circadian rhythm |
E | 0009649 | biological_process | entrainment of circadian clock |
E | 0016310 | biological_process | phosphorylation |
E | 0016787 | molecular_function | hydrolase activity |
E | 0016887 | molecular_function | ATP hydrolysis activity |
E | 0042752 | biological_process | regulation of circadian rhythm |
E | 0042754 | biological_process | negative regulation of circadian rhythm |
E | 0042802 | molecular_function | identical protein binding |
E | 0044024 | molecular_function | histone H2AS1 kinase activity |
E | 0046872 | molecular_function | metal ion binding |
E | 0048511 | biological_process | rhythmic process |
E | 0070297 | biological_process | regulation of phosphorelay signal transduction system |
E | 0106310 | molecular_function | protein serine kinase activity |
F | 0000287 | molecular_function | magnesium ion binding |
F | 0003677 | molecular_function | DNA binding |
F | 0004674 | molecular_function | protein serine/threonine kinase activity |
F | 0004712 | molecular_function | protein serine/threonine/tyrosine kinase activity |
F | 0005515 | molecular_function | protein binding |
F | 0005524 | molecular_function | ATP binding |
F | 0006338 | biological_process | chromatin remodeling |
F | 0006355 | biological_process | regulation of DNA-templated transcription |
F | 0007623 | biological_process | circadian rhythm |
F | 0009649 | biological_process | entrainment of circadian clock |
F | 0016310 | biological_process | phosphorylation |
F | 0016787 | molecular_function | hydrolase activity |
F | 0016887 | molecular_function | ATP hydrolysis activity |
F | 0042752 | biological_process | regulation of circadian rhythm |
F | 0042754 | biological_process | negative regulation of circadian rhythm |
F | 0042802 | molecular_function | identical protein binding |
F | 0044024 | molecular_function | histone H2AS1 kinase activity |
F | 0046872 | molecular_function | metal ion binding |
F | 0048511 | biological_process | rhythmic process |
F | 0070297 | biological_process | regulation of phosphorelay signal transduction system |
F | 0106310 | molecular_function | protein serine kinase activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG A 801 |
Chain | Residue |
A | THR295 |
A | GLU318 |
A | MG802 |
A | ATP901 |
B | ARG459 |
site_id | AC2 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG A 802 |
Chain | Residue |
B | TPO432 |
A | THR290 |
A | LYS294 |
A | MG801 |
A | ATP901 |
site_id | AC3 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE MG A 701 |
Chain | Residue |
A | THR53 |
A | ASP145 |
A | ATP903 |
site_id | AC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG A 702 |
Chain | Residue |
A | SER48 |
A | GLY49 |
A | ATP903 |
B | PHE199 |
B | LYS224 |
site_id | AC5 |
Number of Residues | 21 |
Details | BINDING SITE FOR RESIDUE ATP A 901 |
Chain | Residue |
A | THR290 |
A | GLY291 |
A | THR292 |
A | GLY293 |
A | LYS294 |
A | THR295 |
A | LEU296 |
A | SER330 |
A | TRP331 |
A | ARG451 |
A | ILE472 |
A | MG801 |
A | MG802 |
B | LYS457 |
B | MET458 |
B | ARG459 |
B | GLY460 |
B | SER461 |
B | TRP462 |
B | HIS463 |
B | LYS465 |
site_id | AC6 |
Number of Residues | 21 |
Details | BINDING SITE FOR RESIDUE ATP A 903 |
Chain | Residue |
A | GLY49 |
A | THR50 |
A | GLY51 |
A | LYS52 |
A | THR53 |
A | LEU54 |
A | SER89 |
A | PHE90 |
A | ARG218 |
A | ILE239 |
A | THR240 |
A | HOH526 |
A | MG701 |
A | MG702 |
B | LYS224 |
B | LEU225 |
B | ARG226 |
B | THR228 |
B | SER229 |
B | HIS230 |
B | LYS232 |
site_id | AC7 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG A 520 |
Chain | Residue |
A | TPO432 |
A | LYS457 |
A | ARG459 |
F | THR290 |
F | ATP901 |
site_id | AC8 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE MG B 701 |
Chain | Residue |
B | THR53 |
B | ASP145 |
B | ATP903 |
site_id | AC9 |
Number of Residues | 19 |
Details | BINDING SITE FOR RESIDUE ATP B 901 |
Chain | Residue |
B | THR290 |
B | GLY291 |
B | THR292 |
B | GLY293 |
B | LYS294 |
B | THR295 |
B | LEU296 |
B | GLU318 |
B | SER330 |
B | TRP331 |
B | ARG451 |
B | ILE472 |
C | LYS457 |
C | MET458 |
C | ARG459 |
C | SER461 |
C | TRP462 |
C | HIS463 |
C | LYS465 |
site_id | BC1 |
Number of Residues | 21 |
Details | BINDING SITE FOR RESIDUE ATP B 903 |
Chain | Residue |
B | MG701 |
C | LYS224 |
C | LEU225 |
C | ARG226 |
C | GLY227 |
C | THR228 |
C | SER229 |
C | HIS230 |
C | LYS232 |
B | GLY49 |
B | THR50 |
B | GLY51 |
B | LYS52 |
B | THR53 |
B | LEU54 |
B | GLU78 |
B | SER89 |
B | PHE90 |
B | ILE239 |
B | THR240 |
B | ASP241 |
site_id | BC2 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG C 801 |
Chain | Residue |
C | THR295 |
C | GLU318 |
C | GLU319 |
C | ASP378 |
C | ATP901 |
site_id | BC3 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE MG C 701 |
Chain | Residue |
C | ATP903 |
site_id | BC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MG C 702 |
Chain | Residue |
C | THR53 |
C | GLU78 |
C | ATP903 |
D | ARG226 |
site_id | BC5 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE ATP C 901 |
Chain | Residue |
C | THR290 |
C | GLY291 |
C | THR292 |
C | GLY293 |
C | LYS294 |
C | THR295 |
C | LEU296 |
C | SER330 |
C | TRP331 |
C | ARG451 |
C | MG801 |
C | MG802 |
D | LYS457 |
D | MET458 |
D | ARG459 |
D | SER461 |
D | TRP462 |
D | HIS463 |
D | LYS465 |
D | HOH526 |
site_id | BC6 |
Number of Residues | 18 |
Details | BINDING SITE FOR RESIDUE ATP C 903 |
Chain | Residue |
C | SER48 |
C | GLY49 |
C | THR50 |
C | GLY51 |
C | LYS52 |
C | THR53 |
C | LEU54 |
C | SER89 |
C | ILE239 |
C | THR240 |
C | MG701 |
C | MG702 |
D | LYS224 |
D | LEU225 |
D | ARG226 |
D | GLY227 |
D | THR228 |
D | HIS230 |
site_id | BC7 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE MG C 802 |
Chain | Residue |
C | THR290 |
C | ATP901 |
site_id | BC8 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE MG D 801 |
Chain | Residue |
D | THR290 |
D | MG520 |
D | ATP901 |
site_id | BC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG D 520 |
Chain | Residue |
D | THR295 |
D | GLU319 |
D | MG801 |
D | ATP901 |
E | ARG459 |
site_id | CC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE MG D 702 |
Chain | Residue |
D | THR53 |
D | ASP145 |
D | ATP903 |
site_id | CC2 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE ATP D 901 |
Chain | Residue |
D | THR290 |
D | GLY291 |
D | THR292 |
D | GLY293 |
D | LYS294 |
D | THR295 |
D | LEU296 |
D | SER330 |
D | TRP331 |
D | ARG451 |
D | ILE472 |
D | MG520 |
D | MG801 |
E | LYS457 |
E | ARG459 |
E | GLY460 |
E | SER461 |
E | TRP462 |
E | HIS463 |
E | LYS465 |
site_id | CC3 |
Number of Residues | 19 |
Details | BINDING SITE FOR RESIDUE ATP D 903 |
Chain | Residue |
D | GLY49 |
D | THR50 |
D | GLY51 |
D | LYS52 |
D | THR53 |
D | LEU54 |
D | GLU78 |
D | SER89 |
D | PHE90 |
D | ILE239 |
D | ASP241 |
D | MG702 |
E | LYS224 |
E | LEU225 |
E | ARG226 |
E | GLY227 |
E | THR228 |
E | HIS230 |
E | MG701 |
site_id | CC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG E 801 |
Chain | Residue |
E | THR295 |
E | GLU318 |
E | GLU319 |
E | ATP901 |
F | ARG459 |
site_id | CC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MG E 701 |
Chain | Residue |
D | SER48 |
D | LYS52 |
D | ATP903 |
E | PHE199 |
site_id | CC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MG E 520 |
Chain | Residue |
E | SER48 |
E | ATP903 |
F | PHE199 |
F | LYS224 |
site_id | CC7 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE MG E 702 |
Chain | Residue |
E | THR53 |
E | ATP903 |
site_id | CC8 |
Number of Residues | 19 |
Details | BINDING SITE FOR RESIDUE ATP E 901 |
Chain | Residue |
E | THR290 |
E | GLY291 |
E | THR292 |
E | GLY293 |
E | LYS294 |
E | THR295 |
E | LEU296 |
E | TRP331 |
E | ARG451 |
E | ILE472 |
E | SER473 |
E | MG801 |
F | LYS457 |
F | MET458 |
F | ARG459 |
F | SER461 |
F | TRP462 |
F | HIS463 |
F | LYS465 |
site_id | CC9 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE ATP E 903 |
Chain | Residue |
E | GLY49 |
E | THR50 |
E | GLY51 |
E | LYS52 |
E | THR53 |
E | LEU54 |
E | GLU78 |
E | SER89 |
E | PHE90 |
E | ILE239 |
E | THR240 |
E | ASP241 |
E | MG520 |
E | HOH521 |
E | MG702 |
F | LYS224 |
F | LEU225 |
F | ARG226 |
F | THR228 |
F | HIS230 |
site_id | DC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MG F 801 |
Chain | Residue |
F | THR295 |
F | GLU318 |
F | GLU319 |
F | ATP901 |
site_id | DC2 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE MG F 701 |
Chain | Residue |
F | THR53 |
F | ASP145 |
F | ATP903 |
site_id | DC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MG F 702 |
Chain | Residue |
A | PHE199 |
A | LYS224 |
F | SER48 |
F | LYS52 |
F | ATP903 |
site_id | DC4 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE ATP F 901 |
Chain | Residue |
A | LYS457 |
A | MET458 |
A | ARG459 |
A | SER461 |
A | TRP462 |
A | HIS463 |
A | LYS465 |
A | MG520 |
F | THR290 |
F | GLY291 |
F | THR292 |
F | GLY293 |
F | LYS294 |
F | THR295 |
F | LEU296 |
F | GLU318 |
F | SER330 |
F | TRP331 |
F | ARG451 |
F | ILE472 |
F | SER473 |
F | MG801 |
site_id | DC5 |
Number of Residues | 18 |
Details | BINDING SITE FOR RESIDUE ATP F 903 |
Chain | Residue |
A | LYS224 |
A | ARG226 |
A | THR228 |
A | HIS230 |
A | HOH527 |
F | GLY49 |
F | THR50 |
F | GLY51 |
F | LYS52 |
F | THR53 |
F | LEU54 |
F | GLU78 |
F | SER89 |
F | PHE90 |
F | ILE239 |
F | THR240 |
F | MG701 |
F | MG702 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 3 |
Details | ACT_SITE: Proton acceptor in CI (KaiC 1) => ECO:0000305|PubMed:22304631 |
Chain | Residue | Details |
C | GLU77 | |
D | GLU77 | |
F | GLU77 |
site_id | SWS_FT_FI2 |
Number of Residues | 3 |
Details | ACT_SITE: Proton acceptor in CII (KaiC 2) => ECO:0000305|PubMed:22304631 |
Chain | Residue | Details |
C | GLU318 | |
D | GLU318 | |
F | GLU318 |
site_id | SWS_FT_FI3 |
Number of Residues | 75 |
Details | BINDING: 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 |
Chain | Residue | Details |
C | GLY49 | |
C | HIS230 | |
C | THR240 | |
C | ASP241 | |
C | THR290 | |
C | GLY291 | |
C | THR292 | |
C | GLY293 | |
C | LYS294 | |
C | LEU296 | |
C | TRP331 | |
C | THR50 | |
C | ARG451 | |
C | LYS457 | |
C | ARG459 | |
C | SER461 | |
C | HIS463 | |
C | LYS465 | |
D | GLY49 | |
D | THR50 | |
D | GLY51 | |
D | LYS52 | |
C | GLY51 | |
D | LEU54 | |
D | SER89 | |
D | LYS224 | |
D | ARG226 | |
D | THR228 | |
D | HIS230 | |
D | THR240 | |
D | ASP241 | |
D | THR290 | |
D | GLY291 | |
C | LYS52 | |
D | THR292 | |
D | GLY293 | |
D | LYS294 | |
D | LEU296 | |
D | TRP331 | |
D | ARG451 | |
D | LYS457 | |
D | ARG459 | |
D | SER461 | |
D | HIS463 | |
C | LEU54 | |
D | LYS465 | |
F | GLY49 | |
F | THR50 | |
F | GLY51 | |
F | LYS52 | |
F | LEU54 | |
F | SER89 | |
F | LYS224 | |
F | ARG226 | |
F | THR228 | |
C | SER89 | |
F | HIS230 | |
F | THR240 | |
F | ASP241 | |
F | THR290 | |
F | GLY291 | |
F | THR292 | |
F | GLY293 | |
F | LYS294 | |
F | LEU296 | |
F | TRP331 | |
C | LYS224 | |
F | ARG451 | |
F | LYS457 | |
F | ARG459 | |
F | SER461 | |
F | HIS463 | |
F | LYS465 | |
C | ARG226 | |
C | THR228 |
site_id | SWS_FT_FI4 |
Number of Residues | 3 |
Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01836, ECO:0007744|PDB:4DUG, ECO:0007744|PDB:4TL6, ECO:0007744|PDB:7DXQ |
Chain | Residue | Details |
C | THR53 | |
D | THR53 | |
F | THR53 |
site_id | SWS_FT_FI5 |
Number of Residues | 6 |
Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01836, ECO:0000269|PubMed:15304218, ECO:0000269|PubMed:16628225, ECO:0007744|PDB:1TF7, ECO:0007744|PDB:2GBL |
Chain | Residue | Details |
C | LEU225 | |
C | MET458 | |
D | LEU225 | |
D | MET458 | |
F | LEU225 | |
F | MET458 |
site_id | SWS_FT_FI6 |
Number of Residues | 3 |
Details | BINDING: 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 |
Chain | Residue | Details |
C | THR295 | |
D | THR295 | |
F | THR295 |
site_id | SWS_FT_FI7 |
Number of Residues | 3 |
Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01836, ECO:0000269|PubMed:15304218, ECO:0000269|PubMed:16628225 |
Chain | Residue | Details |
C | GLU318 | |
D | GLU318 | |
F | GLU318 |
site_id | SWS_FT_FI8 |
Number of Residues | 3 |
Details | MOD_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 |
Chain | Residue | Details |
C | ASP431 | |
D | ASP431 | |
F | ASP431 |
site_id | SWS_FT_FI9 |
Number of Residues | 3 |
Details | MOD_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 |
Chain | Residue | Details |
C | THR432 | |
D | THR432 | |
F | THR432 |