4TLA

Crystal structure of N-terminal C1 domain of KaiC

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005524	molecular_function	ATP binding
B	0005524	molecular_function	ATP binding
C	0005524	molecular_function	ATP binding
D	0005524	molecular_function	ATP binding
E	0005524	molecular_function	ATP binding
F	0005524	molecular_function	ATP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	27
Details	binding site for residue ANP A 301

Chain	Residue
A	THR48
A	ARG218
A	ILE239
A	THR240
A	ASP241
A	MG302
A	HOH408
A	HOH412
A	HOH422
A	HOH451
A	HOH453
A	GLY49
A	HOH454
B	PHE199
B	LYS224
B	LEU225
B	ARG226
B	THR228
B	SER229
B	HIS230
A	THR50
A	GLY51
A	LYS52
A	THR53
A	LEU54
A	SER89
A	PHE90

---

site_id	AC2
Number of Residues	6
Details	binding site for residue MG A 302

Chain	Residue
A	THR53
A	ASP145
A	ANP301
A	HOH451
A	HOH452
A	HOH453

---

site_id	AC3
Number of Residues	2
Details	binding site for residue CL A 303

Chain	Residue
A	ARG218
A	ILE239

---

site_id	AC4
Number of Residues	23
Details	binding site for residue ADP B 301

Chain	Residue
B	GLY49
B	THR50
B	GLY51
B	LYS52
B	THR53
B	LEU54
B	SER89
B	PHE90
B	ARG218
B	ILE239
B	THR240
B	ASP241
B	MG302
B	HOH423
B	HOH476
B	HOH503
B	HOH504
C	LYS224
C	LEU225
C	THR228
C	SER229
C	HIS230
C	HOH422

---

site_id	AC5
Number of Residues	6
Details	binding site for residue MG B 302

Chain	Residue
B	THR53
B	ADP301
B	HOH503
B	HOH504
B	HOH505
B	HOH506

---

site_id	AC6
Number of Residues	3
Details	binding site for residue CL B 303

Chain	Residue
B	ARG218
B	ILE239
B	HOH515

---

site_id	AC7
Number of Residues	24
Details	binding site for residue ADP C 301

Chain	Residue
C	GLY49
C	THR50
C	GLY51
C	LYS52
C	THR53
C	LEU54
C	SER89
C	PHE90
C	ARG218
C	ILE239
C	ASP241
C	MG302
C	HOH421
C	HOH432
C	HOH453
C	HOH495
C	HOH508
D	LYS224
D	LEU225
D	THR228
D	SER229
D	HIS230
D	HOH440
D	HOH539

---

site_id	AC8
Number of Residues	6
Details	binding site for residue MG C 302

Chain	Residue
C	THR53
C	ADP301
C	HOH493
C	HOH494
C	HOH495
D	HOH539

---

site_id	AC9
Number of Residues	4
Details	binding site for residue CL C 303

Chain	Residue
C	ILE239
D	LYS232
C	ARG218
C	THR238

---

site_id	AD1
Number of Residues	28
Details	binding site for residue ADP D 301

Chain	Residue
D	GLY49
D	THR50
D	GLY51
D	LYS52
D	THR53
D	LEU54
D	SER89
D	PHE90
D	ARG218
D	ILE239
D	THR240
D	ASP241
D	MG302
D	HOH429
D	HOH462
D	HOH517
D	HOH536
D	HOH537
D	HOH538
D	HOH546
E	LYS224
E	LEU225
E	THR228
E	SER229
E	HIS230
E	HOH425
E	HOH444
E	HOH525

---

site_id	AD2
Number of Residues	6
Details	binding site for residue MG D 302

Chain	Residue
D	THR53
D	ADP301
D	HOH535
D	HOH536
D	HOH537
D	HOH538

---

site_id	AD3
Number of Residues	3
Details	binding site for residue CL D 303

Chain	Residue
D	ARG218
D	ILE239
D	HOH540

---

site_id	AD4
Number of Residues	21
Details	binding site for residue ADP E 301

Chain	Residue
E	GLY49
E	THR50
E	GLY51
E	LYS52
E	THR53
E	LEU54
E	SER89
E	PHE90
E	ARG218
E	ILE239
E	MG302
E	HOH434
E	HOH441
E	HOH502
E	HOH521
F	LYS224
F	LEU225
F	THR228
F	SER229
F	HIS230
F	HOH430

---

site_id	AD5
Number of Residues	6
Details	binding site for residue MG E 302

Chain	Residue
E	THR53
E	ADP301
E	HOH519
E	HOH520
E	HOH521
E	HOH522

---

site_id	AD6
Number of Residues	5
Details	binding site for residue CL E 303

Chain	Residue
E	ARG218
E	THR238
E	ILE239
E	HOH494
F	LYS232

---

site_id	AD7
Number of Residues	29
Details	binding site for residue ANP F 301

Chain	Residue
A	LYS224
A	LEU225
A	ARG226
A	THR228
A	SER229
A	HIS230
A	LYS232
A	HOH406
F	THR48
F	GLY49
F	THR50
F	GLY51
F	LYS52
F	THR53
F	LEU54
F	SER89
F	PHE90
F	ARG218
F	ILE239
F	THR240
F	ASP241
F	MG302
F	HOH427
F	HOH494
F	HOH504
F	HOH518
F	HOH519
F	HOH520
F	HOH531

---

site_id	AD8
Number of Residues	5
Details	binding site for residue MG F 302

Chain	Residue
F	THR53
F	ANP301
F	HOH518
F	HOH519
F	HOH520

---

site_id	AD9
Number of Residues	3
Details	binding site for residue CL F 303

Chain	Residue
F	ARG218
F	ILE239
F	HOH474

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	Active site: {"description":"Proton acceptor in CI (KaiC 1)","evidences":[{"source":"PubMed","id":"22304631","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	72
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01836","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"15304218","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16628225","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22304631","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1TF7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2GBL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4DUG","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01836","evidenceCode":"ECO:0000255"},{"source":"PDB","id":"4DUG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TL6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7DXQ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01836","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"15304218","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16628225","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1TF7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2GBL","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	7
Details	Region: {"description":"B-loop, required to bind KaiB and SasA","evidences":[{"source":"UniProtKB","id":"Q79V60","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---