Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2C97

LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 4-(6- chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)butyl phosphate

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K A1161

Chain	Residue
A	ALA70
A	HIS73
A	THR110
A	HOH2049
A	HOH2081

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

Chain	Residue
A	HOH2019
A	ALA34
A	ALA129
A	GLY130
A	ASP137

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE K A1163

Chain	Residue
A	GLU155
A	LEU156
A	ARG157
A	HOH2117

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE K A1164

Chain	Residue
A	ARG84
A	ASN120
A	HOH2062
A	HOH2092

site_id	AC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE ACT A1165

Chain	Residue
A	HOH2124

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE K B1161

Chain	Residue
B	ALA70
B	HIS73
B	THR110
B	HOH2068

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE K B1162

Chain	Residue
B	ALA34
B	GLY38
B	ALA129
B	GLY130
B	ASP137
B	HOH2015
B	HOH2082

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE K B1163

Chain	Residue
B	GLU155
B	LEU156
B	ARG157
B	HOH2095
E	LEU156
E	ARG157
E	HOH2103

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE K B1164

Chain	Residue
B	ARG84
B	ASN120

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE K C1161

Chain	Residue
C	ALA70
C	HIS73
C	THR110
C	HOH2061

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE K C1162

Chain	Residue
C	GLU155
C	LEU156
C	ARG157
D	GLU155
D	LEU156
D	ARG157
D	HOH2101

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE K C1163

Chain	Residue
C	ARG84
C	ASN120

site_id	BC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE ACT C1164

Chain	Residue
C	LEU57

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K D1161

Chain	Residue
D	ALA70
D	HIS73
D	THR110
D	HOH2020
D	HOH2048
D	HOH2073

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE K D1162

Chain	Residue
D	ARG84
D	ASN120
D	HOH2053

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT D1163

Chain	Residue
D	SER26
D	ARG55
D	HOH2107
E	HOH2098

site_id	BC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K E1161

Chain	Residue
E	ALA70
E	HIS73
E	THR110
E	HOH2022
E	HOH2047
E	HOH2073

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K E1162

Chain	Residue
E	ALA34
E	ALA129
E	GLY130
E	ASP137
E	HOH2016
E	HOH2017

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE K E1163

Chain	Residue
E	ARG84
E	ASN120
E	HOH2053

site_id	CC2
Number of Residues	18
Details	BINDING SITE FOR RESIDUE JCL A 701

Chain	Residue
A	TRP27
A	HIS28
A	GLY58
A	ALA59
A	VAL81
A	VAL82
A	ILE83
A	GLY85
A	GLN86
A	THR87
A	HOH2010
A	HOH2058
A	HOH2119
A	HOH2120
A	HOH2121
A	HOH2122
A	HOH2123
B	ARG128

site_id	CC3
Number of Residues	15
Details	BINDING SITE FOR RESIDUE JCL B 701

Chain	Residue
B	HIS28
B	GLY58
B	ALA59
B	VAL81
B	VAL82
B	ILE83
B	GLY85
B	GLN86
B	THR87
B	HOH2006
B	HOH2097
B	HOH2098
B	HOH2099
B	HOH2100
C	ARG128

site_id	CC4
Number of Residues	16
Details	BINDING SITE FOR RESIDUE JCL C 701

Chain	Residue
C	HIS28
C	GLY58
C	ALA59
C	VAL81
C	VAL82
C	ILE83
C	GLY85
C	GLN86
C	THR87
C	HOH2005
C	HOH2078
C	HOH2079
C	HOH2080
D	ARG128
D	HOH2078
D	HOH2093

site_id	CC5
Number of Residues	16
Details	BINDING SITE FOR RESIDUE JCL D 701

Chain	Residue
D	TRP27
D	HIS28
D	GLY58
D	ALA59
D	VAL81
D	VAL82
D	ILE83
D	GLY85
D	GLN86
D	THR87
D	HOH2005
D	HOH2009
D	HOH2104
D	HOH2105
D	HOH2106
E	ARG128

site_id	CC6
Number of Residues	20
Details	BINDING SITE FOR RESIDUE JCL E 701

Chain	Residue
A	ARG128
A	HOH2085
A	HOH2108
E	TRP27
E	HIS28
E	GLY58
E	ALA59
E	VAL81
E	VAL82
E	ILE83
E	GLY85
E	GLN86
E	THR87
E	HOH2007
E	HOH2052
E	HOH2106
E	HOH2107
E	HOH2108
E	HOH2109
E	HOH2110

site_id	CC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DTD E1166

Chain	Residue
D	VAL42
D	GLY45
E	LYS41
E	VAL42
E	GLY45
E	CYS46

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MPD A1166

Chain	Residue
A	THR98
A	LEU101
A	ASN114
A	HOH2072

site_id	CC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MPD A1167

Chain	Residue
A	GLN99
B	GLN99
C	GLN99
D	GLN99

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MPD B1165

Chain	Residue
A	HIS89
A	ALA96
B	THR98
B	LEU101
B	ASN114
B	HOH2059

site_id	DC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MPD C1165

Chain	Residue
B	TYR92
C	VAL97
C	THR98
C	LEU101
C	ASN114
C	HOH2081

site_id	DC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MPD D1164

Chain	Residue
C	ILE60
C	TYR92
D	THR98
D	LEU101
D	ASN114

site_id	DC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MPD E1165

Chain	Residue
E	THR98
E	ASN114
E	VAL116

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	5
Details	ACT_SITE: Proton donor => ECO:0000255

Chain	Residue	Details
A	HIS89
B	HIS89
C	HIS89
D	HIS89
E	HIS89

site_id	SWS_FT_FI2
Number of Residues	20
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
A	VAL81
A	ASN114
B	TRP27
B	ALA59
B	VAL81
B	ASN114
C	TRP27

site_id	SWS_FT_FI3
Number of Residues	10
Details	BINDING: BINDING => ECO:0000305

Chain	Residue	Details
A	GLN86
E	ARG128
A	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	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

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