4GTF

T. Maritima FDTS (H53A mutant) with FAD, dUMP and Folate

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	29
Details	BINDING SITE FOR RESIDUE FAD A 301

Chain	Residue
A	SER30
A	GLU86
A	SER88
A	TYR91
A	ASN163
A	ARG165
A	ASN169
A	LEU173
A	ARG174
A	HIS178
A	UMP302
A	THR55
A	MEF303
A	HOH406
A	HOH431
A	HOH433
A	HOH434
A	HOH435
A	HOH447
A	HOH481
A	HOH501
A	HOH513
A	GLU58
A	ARG78
A	HIS79
A	ARG80
A	ILE81
A	ILE81
A	ASN85

---

site_id	AC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE UMP A 302

Chain	Residue
A	ARG74
A	GLN75
A	ARG78
A	GLU86
A	LEU87
A	SER88
A	GLY89
A	ARG90
A	ARG147
A	ARG174
A	FAD301
A	HOH402
A	HOH405
A	HOH422

---

site_id	AC3
Number of Residues	15
Details	BINDING SITE FOR RESIDUE MEF A 303

Chain	Residue
A	ALA27
A	ARG28
A	SER30
A	PHE31
A	LEU44
A	LEU48
A	ALA53
A	THR55
A	ASN85
A	TYR91
A	LEU173
A	FAD301
A	HOH411
A	HOH435
A	HOH507

---

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 304

Chain	Residue
A	TYR96
A	TYR96

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	10
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	1
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	1
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	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":"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	7
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	5
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

---