Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2C9B

Lumazine Synthase from Mycobacterium tuberculosus Bound to 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000906	molecular_function	6,7-dimethyl-8-ribityllumazine synthase activity
A	0005829	cellular_component	cytosol
A	0009231	biological_process	riboflavin biosynthetic process
A	0009349	cellular_component	riboflavin synthase complex
A	0016740	molecular_function	transferase activity
B	0000906	molecular_function	6,7-dimethyl-8-ribityllumazine synthase activity
B	0005829	cellular_component	cytosol
B	0009231	biological_process	riboflavin biosynthetic process
B	0009349	cellular_component	riboflavin synthase complex
B	0016740	molecular_function	transferase activity
C	0000906	molecular_function	6,7-dimethyl-8-ribityllumazine synthase activity
C	0005829	cellular_component	cytosol
C	0009231	biological_process	riboflavin biosynthetic process
C	0009349	cellular_component	riboflavin synthase complex
C	0016740	molecular_function	transferase activity
D	0000906	molecular_function	6,7-dimethyl-8-ribityllumazine synthase activity
D	0005829	cellular_component	cytosol
D	0009231	biological_process	riboflavin biosynthetic process
D	0009349	cellular_component	riboflavin synthase complex
D	0016740	molecular_function	transferase activity
E	0000906	molecular_function	6,7-dimethyl-8-ribityllumazine synthase activity
E	0005829	cellular_component	cytosol
E	0009231	biological_process	riboflavin biosynthetic process
E	0009349	cellular_component	riboflavin synthase complex
E	0016740	molecular_function	transferase activity
F	0000906	molecular_function	6,7-dimethyl-8-ribityllumazine synthase activity
F	0005829	cellular_component	cytosol
F	0009231	biological_process	riboflavin biosynthetic process
F	0009349	cellular_component	riboflavin synthase complex
F	0016740	molecular_function	transferase activity
G	0000906	molecular_function	6,7-dimethyl-8-ribityllumazine synthase activity
G	0005829	cellular_component	cytosol
G	0009231	biological_process	riboflavin biosynthetic process
G	0009349	cellular_component	riboflavin synthase complex
G	0016740	molecular_function	transferase activity
H	0000906	molecular_function	6,7-dimethyl-8-ribityllumazine synthase activity
H	0005829	cellular_component	cytosol
H	0009231	biological_process	riboflavin biosynthetic process
H	0009349	cellular_component	riboflavin synthase complex
H	0016740	molecular_function	transferase activity
I	0000906	molecular_function	6,7-dimethyl-8-ribityllumazine synthase activity
I	0005829	cellular_component	cytosol
I	0009231	biological_process	riboflavin biosynthetic process
I	0009349	cellular_component	riboflavin synthase complex
I	0016740	molecular_function	transferase activity
J	0000906	molecular_function	6,7-dimethyl-8-ribityllumazine synthase activity
J	0005829	cellular_component	cytosol
J	0009231	biological_process	riboflavin biosynthetic process
J	0009349	cellular_component	riboflavin synthase complex
J	0016740	molecular_function	transferase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE K A1161

Chain	Residue
A	ALA70
A	HIS73
A	THR110

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K A1162

Chain	Residue
A	GLU155
A	LEU156
A	ARG157
H	LEU156
H	ARG157

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 A1163

Chain	Residue
A	THR87
A	HIS89
A	HOH2064
B	ARG128
A	GLN86

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE K B1161

Chain	Residue
B	ALA70
B	HIS73
B	THR110

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 B1162

Chain	Residue
B	GLY85
B	GLN86
B	THR87
B	HOH2065
B	HOH2066
C	ARG128

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE K C1161

Chain	Residue
C	ALA70
C	HIS73
C	THR110
C	HOH2015

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K C1162

Chain	Residue
C	GLU155
C	LEU156
C	ARG157
F	LEU156
F	ARG157

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 C1163

Chain	Residue
C	GLY85
C	GLN86
C	THR87
D	ARG128

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE K D1161

Chain	Residue
D	ALA70
D	HIS73
D	THR110
D	HOH2026

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K D1162

Chain	Residue
D	GLU155
D	LEU156
D	ARG157
J	LEU156
J	ARG157

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 D1163

Chain	Residue
D	GLY85
D	GLN86
D	THR87
D	HOH2055
E	ARG128

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE K E1161

Chain	Residue
E	ALA70
E	HIS73
E	THR110

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K E1162

Chain	Residue
E	LEU156
E	ARG157
I	GLU155
I	LEU156
I	ARG157

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 E1163

Chain	Residue
A	ARG128
E	GLY85
E	GLN86
E	THR87

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K F1161

Chain	Residue
F	ALA70
F	HIS73
F	THR110
F	HOH2017
F	HOH2032

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 F1162

Chain	Residue
F	GLY85
F	GLN86
F	THR87
F	HOH2073
F	HOH2074
G	ARG128

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE K G1161

Chain	Residue
B	LEU156
B	ARG157
G	LEU156
G	ARG157

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE K G1162

Chain	Residue
G	ALA70
G	HIS73
G	THR110

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 G1163

Chain	Residue
G	GLY85
G	GLN86
G	THR87
G	HOH2081
H	ARG128

site_id	CC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE K H1161

Chain	Residue
H	ALA70
H	HIS73
H	THR110

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 H1162

Chain	Residue
H	GLY85
H	GLN86
H	THR87
H	HIS89
H	HOH2055
I	ARG128

site_id	CC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K I1161

Chain	Residue
I	ALA70
I	HIS73
I	THR110
I	HOH2025
I	HOH2036

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 I1162

Chain	Residue
I	GLN86
I	THR87
I	HIS89
I	GLY85

site_id	CC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE K J1161

Chain	Residue
J	ALA70
J	HIS73
J	THR110
J	HOH2030

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 J1162

Chain	Residue
F	ARG128
F	HOH2064
J	GLY85
J	GLN86
J	THR87

site_id	CC8
Number of Residues	14
Details	BINDING SITE FOR RESIDUE PUG A 701

Chain	Residue
A	TRP27
A	GLY58
A	ALA59
A	ILE60
A	GLU61
A	VAL81
A	VAL82
A	ILE83
A	HIS89
A	HOH2004
A	HOH2063
B	ALA113
B	ASN114
B	LYS138

site_id	CC9
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PUG B 701

Chain	Residue
B	ALA59
B	ILE60
B	GLU61
B	VAL81
B	VAL82
B	ILE83
B	HIS89
C	ALA113
C	ASN114
C	LYS138

site_id	DC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE PUG C 701

Chain	Residue
C	TRP27
C	ALA59
C	ILE60
C	GLU61
C	VAL81
C	VAL82
C	ILE83
C	HIS89
C	VAL93
C	HOH2005
D	ALA113
D	ASN114
D	LYS138

site_id	DC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE PUG D 701

Chain	Residue
D	TRP27
D	GLY58
D	ALA59
D	ILE60
D	GLU61
D	VAL81
D	VAL82
D	ILE83
D	HIS89
E	ALA113
E	ASN114
E	LYS138

site_id	DC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE PUG E 701

Chain	Residue
A	ALA113
A	ASN114
A	LYS138
E	TRP27
E	GLY58
E	ALA59
E	ILE60
E	GLU61
E	VAL81
E	VAL82
E	ILE83
E	HIS89
E	HOH2065
E	HOH2066

site_id	DC4
Number of Residues	13
Details	BINDING SITE FOR RESIDUE PUG F 701

Chain	Residue
F	TRP27
F	HIS28
F	ALA59
F	ILE60
F	GLU61
F	VAL81
F	ILE83
F	HIS89
F	HOH2071
F	HOH2072
G	ALA113
G	ASN114
G	LYS138

site_id	DC5
Number of Residues	15
Details	BINDING SITE FOR RESIDUE PUG G 701

Chain	Residue
G	TRP27
G	LEU57
G	GLY58
G	ALA59
G	ILE60
G	GLU61
G	VAL81
G	VAL82
G	ILE83
G	HIS89
G	HOH2080
G	HOH2081
H	ALA113
H	ASN114
H	HOH2046

site_id	DC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE PUG H 701

Chain	Residue
H	TRP27
H	HIS28
H	GLY58
H	ALA59
H	ILE60
H	GLU61
H	VAL81
H	VAL82
H	ILE83
H	HIS89
I	ASN114

site_id	DC7
Number of Residues	12
Details	BINDING SITE FOR RESIDUE PUG I 701

Chain	Residue
I	TRP27
I	ALA59
I	ILE60
I	GLU61
I	VAL81
I	VAL82
I	ILE83
I	HIS89
I	HOH2059
I	HOH2060
J	ALA113
J	ASN114

site_id	DC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE PUG J 701

Chain	Residue
F	ALA113
F	ASN114
F	LYS138
J	TRP27
J	HIS28
J	GLY58
J	ALA59
J	ILE60
J	GLU61
J	VAL81
J	VAL82
J	ILE83
J	HIS89

site_id	DC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MPD C1164

Chain	Residue
A	GLN99
C	GLN99
E	GLN99

site_id	EC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MPD J1163

Chain	Residue
F	GLN99
G	GLN99
H	GLN99
J	GLN99

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	10
Details	ACT_SITE: Proton donor => ECO:0000255

Chain	Residue	Details
A	HIS89
J	HIS89
B	HIS89
C	HIS89
D	HIS89
E	HIS89
F	HIS89
G	HIS89
H	HIS89
I	HIS89

site_id	SWS_FT_FI2
Number of Residues	40
Details	BINDING:

Chain	Residue	Details
A	TRP27
C	ALA59
C	VAL81
C	ASN114
D	TRP27
D	ALA59
D	VAL81
D	ASN114
E	TRP27
E	ALA59
E	VAL81
A	ALA59
E	ASN114
F	TRP27
F	ALA59
F	VAL81
F	ASN114
G	TRP27
G	ALA59
G	VAL81
G	ASN114
H	TRP27
A	VAL81
H	ALA59
H	VAL81
H	ASN114
I	TRP27
I	ALA59
I	VAL81
I	ASN114
J	TRP27
J	ALA59
J	VAL81
A	ASN114
J	ASN114
B	TRP27
B	ALA59
B	VAL81
B	ASN114
C	TRP27

site_id	SWS_FT_FI3
Number of Residues	20
Details	BINDING: BINDING => ECO:0000305

Chain	Residue	Details
A	GLN86
E	ARG128
F	GLN86
F	ARG128
G	GLN86
G	ARG128
H	GLN86
H	ARG128
I	GLN86
I	ARG128
J	GLN86
A	ARG128
J	ARG128
B	GLN86
B	ARG128
C	GLN86
C	ARG128
D	GLN86
D	ARG128
E	GLN86

Catalytic Information from CSA

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

Chain	Residue	Details
A	HIS89

site_id	CSA10
Number of Residues	1
Details	Annotated By Reference To The Literature 1rvv

Chain	Residue	Details
J	HIS89

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

Chain	Residue	Details
B	HIS89

site_id	CSA3
Number of Residues	1
Details	Annotated By Reference To The Literature 1rvv

Chain	Residue	Details
C	HIS89

site_id	CSA4
Number of Residues	1
Details	Annotated By Reference To The Literature 1rvv

Chain	Residue	Details
D	HIS89

site_id	CSA5
Number of Residues	1
Details	Annotated By Reference To The Literature 1rvv

Chain	Residue	Details
E	HIS89

site_id	CSA6
Number of Residues	1
Details	Annotated By Reference To The Literature 1rvv

Chain	Residue	Details
F	HIS89

site_id	CSA7
Number of Residues	1
Details	Annotated By Reference To The Literature 1rvv

Chain	Residue	Details
G	HIS89

site_id	CSA8
Number of Residues	1
Details	Annotated By Reference To The Literature 1rvv

Chain	Residue	Details
H	HIS89

site_id	CSA9
Number of Residues	1
Details	Annotated By Reference To The Literature 1rvv

Chain	Residue	Details
I	HIS89

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)