2UX9

Crystal structure of the T. thermophilus dodecin R65A mutant

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
B	0000166	molecular_function	nucleotide binding
C	0000166	molecular_function	nucleotide binding
D	0000166	molecular_function	nucleotide binding
E	0000166	molecular_function	nucleotide binding
F	0000166	molecular_function	nucleotide binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA A 1068

Chain	Residue
A	FMN1069
A	HOH2062

---

site_id	AC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE FMN A 1069

Chain	Residue
A	HOH2063
A	HOH2064
A	HOH2065
C	ARG45
C	THR47
C	GLN57
C	GLN57
A	LYS3
A	TYR5
A	ASP37
A	TRP38
A	ALA65
A	NA1068
A	HOH2036

---

site_id	AC3
Number of Residues	18
Details	BINDING SITE FOR RESIDUE COA A 1070

Chain	Residue
A	ARG28
A	THR32
A	ARG34
A	HIS35
A	PHE64
A	ALA65
A	GLU67
A	HOH2066
C	LYS6
C	COA1074
C	HOH2080
C	HOH2088
E	LYS6
E	VAL8
E	LEU10
E	ALA29
E	LEU66
E	COA1071

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 B 1069

Chain	Residue
B	GLU9
B	GLU43
F	LYS7
F	LYS42
F	GLU61

---

site_id	AC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE FMN B 1070

Chain	Residue
B	LYS3
B	TYR5
B	ASP37
B	TRP38
B	ALA65
B	HOH2084
B	HOH2085
B	HOH2086
D	ARG45
D	THR47
D	GLN57
D	GLN57

---

site_id	AC6
Number of Residues	30
Details	BINDING SITE FOR RESIDUE COA B 1071

Chain	Residue
A	GLU15
A	GLU16
A	ALA51
A	LYS54
A	HOH2055
B	ARG28
B	THR32
B	LEU33
B	ARG34
B	HIS35
B	PHE64
B	ALA65
B	GLU67
B	HOH2087
B	HOH2089
B	HOH2090
B	HOH2091
B	HOH2092
B	HOH2093
D	LYS6
D	LEU66
D	COA1071
F	LYS6
F	VAL8
F	ALA29
F	LEU33
F	PHE64
F	LEU66
F	COA1071
F	HOH2087

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 C 1070

Chain	Residue
A	LYS7
A	LYS42
A	GLU61
C	GLU9
C	LYS42
C	GLU43

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA C 1071

Chain	Residue
A	HOH2006
C	GLU55
C	HOH2062
C	HOH2063

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA C 1072

Chain	Residue
C	ASP37
C	FMN1073
C	HOH2044
C	HOH2077
C	HOH2079

---

site_id	BC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE FMN C 1073

Chain	Residue
C	TRP38
C	ALA65
C	NA1072
C	HOH2076
C	HOH2077
C	HOH2078
C	HOH2079
D	FMN1070
E	GLN57
F	ARG45
F	THR47
F	GLN57
C	LYS3
C	TYR5
C	ASP37

---

site_id	BC2
Number of Residues	32
Details	BINDING SITE FOR RESIDUE COA C 1074

Chain	Residue
A	LYS6
A	VAL8
A	LEU10
A	ALA29
A	LEU66
A	COA1070
A	HOH2066
C	ARG28
C	THR32
C	LEU33
C	ARG34
C	PHE64
C	ALA65
C	LEU66
C	GLU67
C	HOH2080
C	HOH2081
C	HOH2082
C	HOH2083
C	HOH2084
C	HOH2085
C	HOH2086
C	HOH2087
C	HOH2088
C	HOH2089
C	HOH2090
D	HOH2045
E	LYS6
E	GLU50
E	LEU66
E	COA1071
E	HOH2064

---

site_id	BC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE FMN D 1070

Chain	Residue
C	FMN1073
D	LYS3
D	TYR5
D	ASP37
D	TRP38
D	HOH2047
D	HOH2076
D	HOH2077
E	THR32
E	ARG45
E	THR47
E	GLN57
E	HOH2046
F	GLN57

---

site_id	BC4
Number of Residues	20
Details	BINDING SITE FOR RESIDUE COA D 1071

Chain	Residue
B	LYS6
B	VAL8
B	LEU10
B	ARG28
B	LEU66
B	COA1071
D	ARG28
D	THR32
D	LEU33
D	ARG34
D	HIS35
D	PHE64
D	ALA65
D	GLU67
D	HOH2078
D	HOH2079
D	HOH2080
F	LYS6
F	COA1071
F	HOH2086

---

site_id	BC5
Number of Residues	13
Details	BINDING SITE FOR RESIDUE FMN E 1069

Chain	Residue
A	GLN57
B	ARG45
B	THR47
B	GLN57
E	LYS3
E	TYR5
E	ASP37
E	TRP38
E	ALA65
E	FMN1070
E	HOH2080
E	HOH2081
E	HOH2083

---

site_id	BC6
Number of Residues	14
Details	BINDING SITE FOR RESIDUE FMN E 1070

Chain	Residue
A	ARG45
A	THR47
A	GLN57
B	GLN57
B	HOH2074
E	FMN1069
E	NA1072
E	HOH2084
E	HOH2085
F	LYS3
F	TYR5
F	ASP37
F	TRP38
F	ALA65

---

site_id	BC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE COA E 1071

Chain	Residue
A	LYS6
A	LEU66
A	COA1070
C	LYS6
C	VAL8
C	ALA29
C	LEU33
C	LEU66
C	COA1074
C	HOH2086
C	HOH2087
E	THR32
E	LEU33
E	ARG34
E	HIS35
E	ALA65
E	GLU67
E	HOH2086

---

site_id	BC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 F 1070

Chain	Residue
D	LYS7
D	LYS42
D	HOH2049
F	GLU9
F	LYS42
F	GLU43

---

site_id	BC9
Number of Residues	28
Details	BINDING SITE FOR RESIDUE COA F 1071

Chain	Residue
A	SER14
A	GLU15
A	GLU16
A	HOH2014
B	LYS6
B	LEU66
B	COA1071
D	LYS6
D	VAL8
D	LEU66
D	COA1071
E	GLY2
F	ARG28
F	THR32
F	LEU33
F	ARG34
F	HIS35
F	PHE64
F	ALA65
F	LEU66
F	GLU67
F	HOH2085
F	HOH2086
F	HOH2087
F	HOH2088
F	HOH2089
F	HOH2090
F	HOH2092

---

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA E 1072

Chain	Residue
E	FMN1070
F	HOH2007
F	HOH2050

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	36
Details	Binding site: {"description":"in other chain","evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2008","submissionDatabase":"PDB data bank","title":"Ultrafast charge transfer dynamics in flavoprotein dodecin.","authors":["Gurzadyan G.G.","Meissner B.","Sander B.","Essen L.-O.","Michel-Beyerle M.E."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	18
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2008","submissionDatabase":"PDB data bank","title":"Ultrafast charge transfer dynamics in flavoprotein dodecin.","authors":["Gurzadyan G.G.","Meissner B.","Sander B.","Essen L.-O.","Michel-Beyerle M.E."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	24
Details	Binding site: {"description":"in other chain"}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	6
Details	Site: {"description":"May be important for ligand binding specificity and FMN binding"}

Chain

Residue

Details

---