3HJ3

Crystal Structure of the ChTS-DHFR F207A Non-Active Site Mutant

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004146	molecular_function	dihydrofolate reductase activity
A	0004799	molecular_function	thymidylate synthase activity
A	0006231	biological_process	dTMP biosynthetic process
A	0006730	biological_process	one-carbon metabolic process
A	0016741	molecular_function	transferase activity, transferring one-carbon groups
A	0046654	biological_process	tetrahydrofolate biosynthetic process
B	0004146	molecular_function	dihydrofolate reductase activity
B	0004799	molecular_function	thymidylate synthase activity
B	0006231	biological_process	dTMP biosynthetic process
B	0006730	biological_process	one-carbon metabolic process
B	0016741	molecular_function	transferase activity, transferring one-carbon groups
B	0046654	biological_process	tetrahydrofolate biosynthetic process
C	0004146	molecular_function	dihydrofolate reductase activity
C	0004799	molecular_function	thymidylate synthase activity
C	0006231	biological_process	dTMP biosynthetic process
C	0006730	biological_process	one-carbon metabolic process
C	0016741	molecular_function	transferase activity, transferring one-carbon groups
C	0046654	biological_process	tetrahydrofolate biosynthetic process
D	0004146	molecular_function	dihydrofolate reductase activity
D	0004799	molecular_function	thymidylate synthase activity
D	0006231	biological_process	dTMP biosynthetic process
D	0006730	biological_process	one-carbon metabolic process
D	0016741	molecular_function	transferase activity, transferring one-carbon groups
D	0046654	biological_process	tetrahydrofolate biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE UMP A 603

Chain	Residue
A	ARG257
A	HIS464
A	TYR466
A	HOH532
A	CB3604
B	ARG382
B	ARG383
A	CYS402
A	HIS403
A	GLN422
A	ARG423
A	SER424
A	CYS425
A	ASP426
A	ASN434

---

site_id	AC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE CB3 A 604

Chain	Residue
A	ALA287
A	SER290
A	GLU294
A	ASN319
A	LEU399
A	ASP426
A	LEU429
A	GLY430
A	PHE433
A	TYR466
A	MET517
A	ALA520
A	HOH542
A	UMP603

---

site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE MTX A 605

Chain	Residue
A	VAL9
A	VAL10
A	ALA11
A	ASP32
A	LEU33
A	PHE36
A	SER37
A	THR58
A	ILE62
A	LEU67
A	ARG70
A	CYS113
A	TYR119
A	THR134
A	HOH575
A	NDP606

---

site_id	AC4
Number of Residues	26
Details	BINDING SITE FOR RESIDUE NDP A 606

Chain	Residue
A	VAL10
A	ALA11
A	ILE19
A	GLY20
A	GLY23
A	GLN24
A	LEU25
A	GLY55
A	ARG56
A	LYS57
A	THR58
A	ILE75
A	SER76
A	SER77
A	SER78
A	ARG92
A	CYS113
A	GLY115
A	GLU116
A	SER117
A	TYR119
A	THR145
A	HOH531
A	HOH585
A	HOH596
A	MTX605

---

site_id	AC5
Number of Residues	14
Details	BINDING SITE FOR RESIDUE UMP B 607

Chain	Residue
A	ARG382
A	ARG383
B	ARG257
B	TYR342
B	CYS402
B	HIS403
B	ARG423
B	SER424
B	ASN434
B	HIS464
B	TYR466
B	HOH560
B	HOH604
B	CB3608

---

site_id	AC6
Number of Residues	15
Details	BINDING SITE FOR RESIDUE CB3 B 608

Chain	Residue
B	UMP607
B	ALA287
B	SER290
B	GLU294
B	ILE315
B	ASN319
B	LEU399
B	ASP426
B	LEU429
B	GLY430
B	TYR466
B	MET519
B	ALA520
B	HOH587
B	HOH604

---

site_id	AC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE MTX B 609

Chain	Residue
B	VAL9
B	VAL10
B	ALA11
B	LEU25
B	ASP32
B	LEU33
B	LYS34
B	PHE36
B	SER37
B	THR58
B	ILE62
B	LEU67
B	ARG70
B	CYS113
B	TYR119
B	HOH548
B	HOH557
B	NDP610

---

site_id	AC8
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NDP B 610

Chain	Residue
B	ALA11
B	ILE19
B	GLY20
B	GLY23
B	GLN24
B	LEU25
B	GLY55
B	ARG56
B	LYS57
B	THR58
B	SER61
B	ILE75
B	SER76
B	SER77
B	SER78
B	ARG92
B	CYS113
B	GLY115
B	GLU116
B	SER117
B	ILE118
B	THR145
B	HOH530
B	HOH538
B	MTX609

---

site_id	AC9
Number of Residues	15
Details	BINDING SITE FOR RESIDUE UMP C 611

Chain	Residue
C	ARG257
C	TYR342
C	CYS402
C	HIS403
C	GLN422
C	ARG423
C	SER424
C	CYS425
C	ASP426
C	ASN434
C	HIS464
C	TYR466
C	CB3612
D	ARG382
D	ARG383

---

site_id	BC1
Number of Residues	17
Details	BINDING SITE FOR RESIDUE CB3 C 612

Chain	Residue
C	LYS284
C	ALA287
C	SER290
C	GLU294
C	ILE315
C	TRP316
C	ASN319
C	LEU399
C	ASP426
C	LEU429
C	GLY430
C	PHE433
C	ASN434
C	TYR466
C	ALA520
C	HOH538
C	UMP611

---

site_id	BC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE MTX C 613

Chain	Residue
C	VAL9
C	VAL10
C	ALA11
C	LEU25
C	ASP32
C	LEU33
C	PHE36
C	SER37
C	THR58
C	LEU67
C	ARG70
C	TYR119
C	THR134
C	NDP614

---

site_id	BC3
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NDP C 614

Chain	Residue
C	ALA11
C	ILE19
C	GLY20
C	ILE21
C	GLY23
C	GLN24
C	LEU25
C	GLY55
C	ARG56
C	LYS57
C	THR58
C	ILE75
C	SER76
C	SER77
C	ARG92
C	CYS113
C	GLY114
C	GLY115
C	GLU116
C	SER117
C	ILE118
C	THR145
C	HOH526
C	HOH534
C	MTX613

---

site_id	BC4
Number of Residues	15
Details	BINDING SITE FOR RESIDUE MTX D 615

Chain	Residue
D	VAL9
D	VAL10
D	ALA11
D	LEU25
D	ASP32
D	LEU33
D	PHE36
D	SER37
D	THR58
D	ILE62
D	LEU67
D	ARG70
D	CYS113
D	THR134
D	NDP616

---

site_id	BC5
Number of Residues	20
Details	BINDING SITE FOR RESIDUE NDP D 616

Chain	Residue
D	ALA11
D	ILE19
D	ASN22
D	GLY23
D	GLN24
D	GLY55
D	ARG56
D	LYS57
D	THR58
D	ILE75
D	SER76
D	SER77
D	ARG92
D	CYS113
D	GLY115
D	GLU116
D	SER117
D	ILE118
D	THR145
D	MTX615

---

Functional Information from PROSITE/UniProt

site_id	PS00075
Number of Residues	23
Details	DHFR_1 Dihydrofolate reductase (DHFR) domain signature. GIGingqLPWsise.DlkfFskiT

Chain	Residue	Details
A	GLY18-THR40

---

site_id	PS00091
Number of Residues	29
Details	THYMIDYLATE_SYNTHASE Thymidylate synthase active site. RrhIltaWNpsalsqma.....LpPCHvlsQYyV

Chain	Residue	Details
A	ARG382-VAL410

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