Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2C94

LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1,1 difluoropentane-1- PHOSPHATE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000906	molecular_function	6,7-dimethyl-8-ribityllumazine synthase activity
A	0005737	cellular_component	cytoplasm
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	0005737	cellular_component	cytoplasm
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	0005737	cellular_component	cytoplasm
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	0005737	cellular_component	cytoplasm
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	0005737	cellular_component	cytoplasm
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	6
Details	BINDING SITE FOR RESIDUE K A1161

Chain	Residue
A	ALA70
A	HIS73
A	THR110
A	HOH2047
A	HOH2050
A	HOH2076

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE K A1162

Chain	Residue
A	GLY130
A	ASP137
A	HOH2013
B	HOH2022
A	ALA34
A	GLY38
A	ALA129

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

Chain	Residue
A	GLU155
A	LEU156
A	ARG157
A	HOH2112

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE K A1164

Chain	Residue
A	ARG84
A	ASN120

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K B1161

Chain	Residue
B	ALA70
B	HIS73
B	THR110
B	HOH2049
B	HOH2054
B	HOH2077

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE K B1162

Chain	Residue
B	ALA34
B	GLY38
B	ALA129
B	GLY130
B	ASP137
B	HOH2016
B	HOH2019

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE K B1163

Chain	Residue
B	GLU155
B	LEU156
B	ARG157
B	HOH2107
E	LEU156
E	ARG157
E	HOH2113

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE K B1164

Chain	Residue
B	ARG84
B	ASN120

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K C1161

Chain	Residue
C	ALA70
C	HIS73
C	THR110
C	HOH2012
C	HOH2032
C	HOH2059

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE K C1162

Chain	Residue
C	ARG84
C	ASN120
C	HOH2040

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K D1161

Chain	Residue
D	ALA70
D	HIS73
D	THR110
D	HOH2026
D	HOH2058
D	HOH2088

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K D1162

Chain	Residue
D	ALA34
D	ALA129
D	GLY130
D	ASP137
D	HOH2017

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE K D1163

Chain	Residue
C	GLU155
C	LEU156
C	ARG157
C	HOH2081
D	LEU156
D	ARG157
D	HOH2115

site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE K D1164

Chain	Residue
D	ARG84
D	ASN120

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K E1161

Chain	Residue
E	ALA70
E	HIS73
E	THR110
E	HOH2026
E	HOH2055
E	HOH2081

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K E1162

Chain	Residue
E	ALA34
E	ALA129
E	GLY130
E	ASP137
E	HOH2020

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE K E1163

Chain	Residue
E	ARG84
E	ASN120
E	HOH2063

site_id	BC9
Number of Residues	23
Details	BINDING SITE FOR RESIDUE TSF A 701

Chain	Residue
A	HOH2114
A	HOH2115
A	HOH2116
A	HOH2117
B	ALA113
B	ASN114
B	ARG128
B	LYS138
A	SER25
A	TRP27
A	HIS28
A	GLY58
A	ALA59
A	ILE60
A	GLU61
A	VAL81
A	VAL82
A	ILE83
A	GLY85
A	GLN86
A	THR87
A	HIS89
A	HOH2055

site_id	CC1
Number of Residues	22
Details	BINDING SITE FOR RESIDUE TSF B 701

Chain	Residue
B	SER25
B	TRP27
B	HIS28
B	GLY58
B	ALA59
B	ILE60
B	GLU61
B	VAL81
B	VAL82
B	ILE83
B	GLY85
B	GLN86
B	THR87
B	HIS89
B	HOH2007
B	HOH2109
B	HOH2110
C	ALA113
C	ASN114
C	ARG128
C	LYS138
C	HOH2073

site_id	CC2
Number of Residues	22
Details	BINDING SITE FOR RESIDUE TSF C 701

Chain	Residue
C	TRP27
C	HIS28
C	GLY58
C	ALA59
C	ILE60
C	GLU61
C	VAL81
C	VAL82
C	ILE83
C	GLY85
C	GLN86
C	THR87
C	HIS89
C	HOH2005
C	HOH2082
C	HOH2083
C	HOH2084
C	HOH2085
D	ALA113
D	ASN114
D	ARG128
D	LYS138

site_id	CC3
Number of Residues	22
Details	BINDING SITE FOR RESIDUE TSF D 701

Chain	Residue
D	TRP27
D	HIS28
D	GLY58
D	ALA59
D	ILE60
D	GLU61
D	VAL81
D	VAL82
D	ILE83
D	GLY85
D	GLN86
D	THR87
D	HIS89
D	HOH2047
D	HOH2064
D	HOH2118
D	HOH2119
D	HOH2120
E	ALA113
E	ASN114
E	ARG128
E	LYS138

site_id	CC4
Number of Residues	21
Details	BINDING SITE FOR RESIDUE TSF E 701

Chain	Residue
A	ALA113
A	ASN114
A	ARG128
E	SER25
E	TRP27
E	HIS28
E	GLY58
E	ALA59
E	ILE60
E	GLU61
E	VAL81
E	VAL82
E	ILE83
E	ARG84
E	GLY85
E	GLN86
E	THR87
E	HOH2114
E	HOH2115
E	HOH2116
E	HOH2117

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)