2GLX

Crystal Structure Analysis of bacterial 1,5-AF Reductase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0016491	molecular_function	oxidoreductase activity
A	0033712	molecular_function	1,5-anhydro-D-fructose reductase (1,5-anhydro-D-mannitol-forming) activity
B	0000166	molecular_function	nucleotide binding
B	0016491	molecular_function	oxidoreductase activity
B	0033712	molecular_function	1,5-anhydro-D-fructose reductase (1,5-anhydro-D-mannitol-forming) activity
C	0000166	molecular_function	nucleotide binding
C	0016491	molecular_function	oxidoreductase activity
C	0033712	molecular_function	1,5-anhydro-D-fructose reductase (1,5-anhydro-D-mannitol-forming) activity
D	0000166	molecular_function	nucleotide binding
D	0016491	molecular_function	oxidoreductase activity
D	0033712	molecular_function	1,5-anhydro-D-fructose reductase (1,5-anhydro-D-mannitol-forming) activity
E	0000166	molecular_function	nucleotide binding
E	0016491	molecular_function	oxidoreductase activity
E	0033712	molecular_function	1,5-anhydro-D-fructose reductase (1,5-anhydro-D-mannitol-forming) activity
F	0000166	molecular_function	nucleotide binding
F	0016491	molecular_function	oxidoreductase activity
F	0033712	molecular_function	1,5-anhydro-D-fructose reductase (1,5-anhydro-D-mannitol-forming) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT A 1502

Chain	Residue
A	LYS94
A	HIS180
A	NDP1500
A	HOH1738
A	HOH1846

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT B 2502

Chain	Residue
B	HOH2614
B	HOH2624
B	LYS94
B	ARG163
B	HIS180
B	NDP2500

---

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACT C 3502

Chain	Residue
C	LYS94
C	HIS122
C	HIS180
C	GLN258
C	NDP3500
C	HOH3573
C	HOH3713

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT D 4502

Chain	Residue
D	LYS94
D	ARG163
D	ASP176
D	HIS180
D	NDP4500
D	HOH4580

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT E 5502

Chain	Residue
E	LYS94
E	HIS180
E	NDP5500
E	HOH5562

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT F 6502

Chain	Residue
F	LYS94
F	HIS180
F	GLN258
F	NDP6500
F	HOH6511
F	HOH6566

---

site_id	AC7
Number of Residues	28
Details	BINDING SITE FOR RESIDUE NDP A 1500

Chain	Residue
A	GLY8
A	ALA9
A	SER10
A	THR11
A	ILE12
A	SER33
A	THR34
A	ARG38
A	SER70
A	THR71
A	ASN73
A	HIS76
A	GLU93
A	LYS94
A	ASN120
A	HIS122
A	TRP162
A	ARG163
A	TYR283
A	ACT1502
A	HOH1511
A	HOH1545
A	HOH1552
A	HOH1568
A	HOH1602
A	HOH1641
A	HOH1648
A	HOH1757

---

site_id	AC8
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NDP B 2500

Chain	Residue
B	GLY8
B	ALA9
B	SER10
B	THR11
B	ILE12
B	SER33
B	THR34
B	ARG38
B	SER70
B	THR71
B	THR72
B	ASN73
B	HIS76
B	GLU93
B	LYS94
B	ASN120
B	HIS122
B	LEU159
B	TRP162
B	ARG163
B	TYR283
B	ACT2502
B	HOH2512
B	HOH2536
B	HOH2537
B	HOH2599
B	HOH2606
B	HOH2668
B	HOH2766

---

site_id	AC9
Number of Residues	28
Details	BINDING SITE FOR RESIDUE NDP C 3500

Chain	Residue
C	SER70
C	THR71
C	ASN73
C	HIS76
C	GLU93
C	LYS94
C	ASN120
C	HIS122
C	TRP162
C	ARG163
C	GLN258
C	TYR283
C	ACT3502
C	HOH3506
C	HOH3518
C	HOH3530
C	HOH3561
C	HOH3602
C	HOH3626
C	HOH3663
C	GLY8
C	ALA9
C	SER10
C	THR11
C	ILE12
C	SER33
C	THR34
C	ARG38

---

site_id	BC1
Number of Residues	24
Details	BINDING SITE FOR RESIDUE NDP D 4500

Chain	Residue
D	GLY8
D	ALA9
D	SER10
D	THR11
D	ILE12
D	SER33
D	THR34
D	ARG38
D	SER70
D	THR71
D	ASN73
D	HIS76
D	GLU93
D	LYS94
D	ASN120
D	TRP162
D	ARG163
D	ASP176
D	GLN258
D	TYR283
D	ACT4502
D	HOH4510
D	HOH4525
D	HOH4554

---

site_id	BC2
Number of Residues	30
Details	BINDING SITE FOR RESIDUE NDP E 5500

Chain	Residue
E	GLY8
E	ALA9
E	SER10
E	THR11
E	ILE12
E	SER33
E	THR34
E	ARG38
E	SER70
E	THR71
E	ASN73
E	HIS76
E	GLU93
E	LYS94
E	ASN120
E	HIS122
E	TRP162
E	ARG163
E	ASP176
E	GLN258
E	TYR283
E	ACT5502
E	HOH5515
E	HOH5542
E	HOH5544
E	HOH5599
E	HOH5647
E	HOH5694
E	HOH5712
E	HOH5717

---

site_id	BC3
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NDP F 6500

Chain	Residue
F	GLY8
F	ALA9
F	SER10
F	THR11
F	ILE12
F	SER33
F	THR34
F	ARG38
F	SER70
F	THR71
F	THR72
F	ASN73
F	HIS76
F	GLU93
F	LYS94
F	ASN120
F	HIS122
F	LEU159
F	TRP162
F	ARG163
F	GLN258
F	TYR283
F	ACT6502
F	HOH6532
F	HOH6580

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	84
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16906761","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1ebf

Chain	Residue	Details
E	ASP192
E	ALA196

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1ebf

Chain	Residue	Details
F	ASP192
F	ALA196

---