Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4KAS

Crystal structure of FDTS from T. maritima mutant (H53D) with FAD and dUMP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004799	molecular_function	thymidylate synthase activity
A	0006231	biological_process	dTMP biosynthetic process
A	0006235	biological_process	dTTP biosynthetic process
A	0008168	molecular_function	methyltransferase activity
A	0009165	biological_process	nucleotide biosynthetic process
A	0016740	molecular_function	transferase activity
A	0032259	biological_process	methylation
A	0050660	molecular_function	flavin adenine dinucleotide binding
A	0050797	molecular_function	thymidylate synthase (FAD) activity
A	0070402	molecular_function	NADPH binding
B	0004799	molecular_function	thymidylate synthase activity
B	0006231	biological_process	dTMP biosynthetic process
B	0006235	biological_process	dTTP biosynthetic process
B	0008168	molecular_function	methyltransferase activity
B	0009165	biological_process	nucleotide biosynthetic process
B	0016740	molecular_function	transferase activity
B	0032259	biological_process	methylation
B	0050660	molecular_function	flavin adenine dinucleotide binding
B	0050797	molecular_function	thymidylate synthase (FAD) activity
B	0070402	molecular_function	NADPH binding
C	0004799	molecular_function	thymidylate synthase activity
C	0006231	biological_process	dTMP biosynthetic process
C	0006235	biological_process	dTTP biosynthetic process
C	0008168	molecular_function	methyltransferase activity
C	0009165	biological_process	nucleotide biosynthetic process
C	0016740	molecular_function	transferase activity
C	0032259	biological_process	methylation
C	0050660	molecular_function	flavin adenine dinucleotide binding
C	0050797	molecular_function	thymidylate synthase (FAD) activity
C	0070402	molecular_function	NADPH binding
D	0004799	molecular_function	thymidylate synthase activity
D	0006231	biological_process	dTMP biosynthetic process
D	0006235	biological_process	dTTP biosynthetic process
D	0008168	molecular_function	methyltransferase activity
D	0009165	biological_process	nucleotide biosynthetic process
D	0016740	molecular_function	transferase activity
D	0032259	biological_process	methylation
D	0050660	molecular_function	flavin adenine dinucleotide binding
D	0050797	molecular_function	thymidylate synthase (FAD) activity
D	0070402	molecular_function	NADPH binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE DU A 301

Chain	Residue
A	GLU86
D	ARG74
D	GLN75
D	ARG78
D	ARG174
D	FAD301
A	LEU87
A	SER88
A	GLY89
A	ARG90
A	ARG147
A	HOH408
A	HOH417
A	HOH449

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 302

Chain	Residue
A	ARG78
A	HIS79
A	ARG80
A	ILE81
A	ASN169

site_id	AC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE DU B 301

Chain	Residue
B	GLU86
B	LEU87
B	SER88
B	GLY89
B	ARG90
B	ARG147
B	HOH406
B	HOH407
C	ARG74
C	GLN75
C	ARG78
C	ARG174
C	FAD301

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 302

Chain	Residue
B	ARG78
B	HIS79
B	ARG80
B	ILE81
B	ASN169

site_id	AC5
Number of Residues	23
Details	BINDING SITE FOR RESIDUE FAD C 301

Chain	Residue
A	SER30
A	THR55
A	GLU58
A	ILE81
A	ASN163
A	ARG165
A	SER166
B	ASN85
B	GLU86
B	SER88
B	TYR91
B	DU301
C	ARG78
C	HIS79
C	ARG80
C	ILE81
C	ASN169
C	LEU173
C	HIS178
C	HOH403
C	HOH405
C	HOH407
C	HOH488

site_id	AC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE DU C 302

Chain	Residue
B	GLN75
B	ARG78
B	ARG174
C	GLU86
C	LEU87
C	SER88
C	GLY89
C	ARG90
C	ARG147
C	HOH409
C	HOH413

site_id	AC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL C 303

Chain	Residue
C	TYR208

site_id	AC8
Number of Residues	25
Details	BINDING SITE FOR RESIDUE FAD D 301

Chain	Residue
A	SER83
A	ASN85
A	GLU86
A	TYR91
A	DU301
B	SER30
B	ASP53
B	THR55
B	GLU58
B	ILE81
B	ASN163
B	ARG165
B	ASN169
D	ARG78
D	HIS79
D	ARG80
D	ILE81
D	ASN169
D	LEU173
D	ARG174
D	HIS178
D	HOH406
D	HOH415
D	HOH450
D	HOH468

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 D 302

Chain	Residue
D	ARG147
D	HOH451
D	HOH470
A	GLN75
A	HOH435

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 2PE D 303

Chain	Residue
C	GLU203
C	LEU215
C	LYS216
C	GLN219
D	HIS43
D	GLU46
D	LYS50

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	40
Details	Motif: {"description":"ThyX motif","evidences":[{"source":"HAMAP-Rule","id":"MF_01408","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Involved in ionization of N3 of dUMP, leading to its activation","evidences":[{"source":"PubMed","id":"27214228","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12791256","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19370033","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22477781","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23019356","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24563811","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27214228","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"34315871","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1O26","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3G4A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3N0B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4GTD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KAS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7NDW","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12791256","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19370033","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22477781","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23019356","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24563811","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27214228","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1O26","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3G4A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3N0B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4GT9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KAS","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	28
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12211025","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12791256","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19370033","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22477781","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23019356","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24563811","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27214228","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"34315871","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1KQ4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1O26","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3G4A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3N0B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4GTD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KAS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7NDW","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	20
Details	Binding site: {"description":"in other chain","evidences":[{"source":"PubMed","id":"12791256","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19370033","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22477781","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23019356","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24563811","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27214228","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1O26","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3G4A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3N0B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4GT9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KAS","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)