Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1O26

Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD and dUMP at 1.6 A resolution

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	25
Details	BINDING SITE FOR RESIDUE FAD D 600

Chain	Residue
A	SER83
B	GLU58
B	ILE81
B	ASN163
B	ARG165
B	FAD610
B	PGE630
D	ARG78
D	HIS79
D	ARG80
D	ILE81
A	ASN85
D	ASN169
D	LEU173
D	ARG174
D	HIS178
D	HOH407
D	HOH495
A	GLU86
A	SER88
A	TYR91
A	HOH327
A	UMP603
B	SER30
B	THR55

site_id	AC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE UMP A 603

Chain	Residue
A	GLU86
A	LEU87
A	SER88
A	GLY89
A	ARG90
A	ARG147
A	HOH320
A	HOH389
D	ARG74
D	GLN75
D	ARG78
D	ARG174
D	FAD600
D	PGE620

site_id	AC3
Number of Residues	25
Details	BINDING SITE FOR RESIDUE FAD C 605

Chain	Residue
A	SER30
A	THR55
A	GLU58
A	ILE81
A	ASN163
A	ARG165
A	FAD615
A	PGE635
B	SER83
B	ASN85
B	GLU86
B	SER88
B	TYR91
B	HOH340
B	UMP608
C	ARG78
C	HIS79
C	ARG80
C	ILE81
C	ASN169
C	LEU173
C	ARG174
C	HIS178
C	HOH331
C	HOH496

site_id	AC4
Number of Residues	14
Details	BINDING SITE FOR RESIDUE UMP B 608

Chain	Residue
B	GLU86
B	LEU87
B	SER88
B	GLY89
B	ARG90
B	ARG147
B	HOH422
B	PGE625
C	ARG74
C	GLN75
C	ARG78
C	ARG174
C	HOH302
C	FAD605

site_id	AC5
Number of Residues	25
Details	BINDING SITE FOR RESIDUE FAD B 610

Chain	Residue
D	ARG165
D	HOH463
D	FAD600
D	PGE640
B	ARG78
B	HIS79
B	ARG80
B	ILE81
B	ASN169
B	LEU173
B	ARG174
B	HIS178
B	HOH328
B	HOH334
C	SER83
C	ASN85
C	GLU86
C	SER88
C	HOH375
C	UMP613
D	SER30
D	THR55
D	GLU58
D	ILE81
D	ASN163

site_id	AC6
Number of Residues	15
Details	BINDING SITE FOR RESIDUE UMP C 613

Chain	Residue
B	ARG74
B	GLN75
B	ARG78
B	ARG174
B	FAD610
B	PGE625
C	GLU86
C	LEU87
C	SER88
C	GLY89
C	ARG90
C	ARG147
C	HOH423
C	HOH425
C	HOH510

site_id	AC7
Number of Residues	24
Details	BINDING SITE FOR RESIDUE FAD A 615

Chain	Residue
A	ARG78
A	HIS79
A	ARG80
A	ILE81
A	ASN169
A	LEU173
A	ARG174
A	HIS178
A	HOH306
A	HOH450
C	SER30
C	THR55
C	GLU58
C	ILE81
C	ASN163
C	ARG165
C	FAD605
D	SER83
D	ASN85
D	GLU86
D	SER88
D	TYR91
D	HOH378
D	UMP618

site_id	AC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE UMP D 618

Chain	Residue
A	ARG74
A	GLN75
A	ARG78
A	ARG174
A	FAD615
D	GLU86
D	LEU87
D	SER88
D	GLY89
D	ARG90
D	ARG147
D	HOH363
D	HOH390

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PGE D 620

Chain	Residue
A	ARG74
A	PHE77
A	GLU86
A	UMP603
D	ARG74
D	PHE77
D	GLU86

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PGE B 625

Chain	Residue
B	ARG74
B	PHE77
B	GLU86
B	UMP608
C	ALA73
C	ARG74
C	PHE77
C	GLU86
C	UMP613

site_id	BC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PGE B 630

Chain	Residue
A	ASN85
B	GLY52
B	HIS53
B	GLU54
B	THR55
B	ARG165
B	HOH317
D	FAD600

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PGE A 635

Chain	Residue
A	SER30
A	GLY52
A	HIS53
A	GLU54
A	THR55
C	FAD605

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PGE D 640

Chain	Residue
B	FAD610
D	SER30
D	HIS53
D	HOH557

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	828
Details	Domain: {"description":"ThyX","evidences":[{"source":"PROSITE-ProRule","id":"PRU00661","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
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_FI3
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_FI4
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_FI5
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_FI6
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_FI7
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)