4OSG

Klebsiella pneumoniae complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxyl-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004146	molecular_function	dihydrofolate reductase activity
A	0046654	biological_process	tetrahydrofolate biosynthetic process
A	0050661	molecular_function	NADP binding
B	0004146	molecular_function	dihydrofolate reductase activity
B	0046654	biological_process	tetrahydrofolate biosynthetic process
B	0050661	molecular_function	NADP binding
C	0004146	molecular_function	dihydrofolate reductase activity
C	0046654	biological_process	tetrahydrofolate biosynthetic process
C	0050661	molecular_function	NADP binding
D	0004146	molecular_function	dihydrofolate reductase activity
D	0046654	biological_process	tetrahydrofolate biosynthetic process
D	0050661	molecular_function	NADP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	22
Details	BINDING SITE FOR RESIDUE NAP A 401

Chain	Residue
A	ALA6
A	SER63
A	SER64
A	SER76
A	ILE94
A	GLY95
A	GLY96
A	GLY97
A	ARG98
A	VAL99
A	TYR100
A	ALA7
A	GLN102
A	THR123
A	06U402
A	ILE14
A	ALA19
A	TRP22
A	GLY43
A	ARG44
A	THR46
A	ILE62

---

site_id	AC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 06U A 402

Chain	Residue
A	ILE5
A	ALA6
A	MET20
A	ASP27
A	PHE31
A	MET42
A	THR46
A	ILE50
A	LEU54
A	ILE94
A	THR113
A	NAP401

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EOH A 403

Chain	Residue
A	ALA83
A	GLY86

---

site_id	AC4
Number of Residues	22
Details	BINDING SITE FOR RESIDUE NAP B 401

Chain	Residue
B	ALA6
B	ALA7
B	ILE14
B	GLY15
B	MET16
B	ASN18
B	ALA19
B	MET20
B	ARG44
B	LEU45
B	ILE62
B	SER63
B	SER64
B	VAL78
B	ILE94
B	GLY96
B	GLY97
B	ARG98
B	VAL99
B	GLN102
B	THR123
B	06U402

---

site_id	AC5
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 06U B 402

Chain	Residue
B	ILE5
B	ALA6
B	MET20
B	ASP27
B	LEU28
B	TRP30
B	PHE31
B	MET42
B	ARG52
B	LEU54
B	ILE94
B	TYR100
B	NAP401

---

site_id	AC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CAC B 403

Chain	Residue
B	ARG158

---

site_id	AC7
Number of Residues	24
Details	BINDING SITE FOR RESIDUE NAP C 401

Chain	Residue
C	ALA6
C	ALA7
C	ILE14
C	ASN18
C	ALA19
C	MET20
C	TRP22
C	GLY43
C	ARG44
C	LEU45
C	THR46
C	ILE62
C	SER64
C	LYS65
C	SER76
C	ILE94
C	GLY95
C	GLY96
C	GLY97
C	ARG98
C	VAL99
C	TYR100
C	GLN102
C	06U402

---

site_id	AC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 06U C 402

Chain	Residue
C	ALA6
C	MET20
C	ASP27
C	PHE31
C	SER49
C	ILE50
C	ILE94
C	TYR100
C	THR113
C	NAP401
A	ALA145
A	GLN146
C	ILE5

---

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL C 404

Chain	Residue
C	LYS58
C	ASP70

---

site_id	BC1
Number of Residues	22
Details	BINDING SITE FOR RESIDUE NAP D 401

Chain	Residue
D	ALA6
D	ALA7
D	ILE14
D	ASN18
D	ALA19
D	MET20
D	ARG44
D	LEU45
D	THR46
D	ILE62
D	SER63
D	SER64
D	ILE94
D	GLY95
D	GLY96
D	GLY97
D	ARG98
D	VAL99
D	TYR100
D	GLN102
D	THR123
D	06U402

---

site_id	BC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 06U D 402

Chain	Residue
D	ILE5
D	ALA6
D	ALA7
D	MET20
D	ASP27
D	LEU28
D	PHE31
D	THR46
D	ARG52
D	LEU54
D	ILE94
D	TYR100
D	NAP401

---

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CAC D 405

Chain	Residue
D	HIS114
D	HOH504

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Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	VAL13-THR35

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