2O6H

Lumazine synthase RibH1 from Brucella melitensis (Gene BMEI1187, Swiss-Prot entry Q8YGH2) complexed with inhibitor 5-Nitro-6-(D-Ribitylamino)-2,4(1H,3H) Pyrimidinedione

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	4
Details	BINDING SITE FOR RESIDUE CA A 301

Chain	Residue
A	ALA67
A	GLU73
E	ALA67
E	GLU73

---

site_id	AC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CA A 302

Chain	Residue
A	GLU124

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA B 303

Chain	Residue
B	ALA67
B	GLU73
D	ALA67
D	GLU73

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA C 304

Chain	Residue
C	ALA67
C	GLU73
C	GLU73

---

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CA C 305

Chain	Residue
A	HOH404
C	GLU124

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA D 306

Chain	Residue
D	ASP24
D	ASP25
D	ASP28
D	HOH484

---

site_id	AC7
Number of Residues	13
Details	BINDING SITE FOR RESIDUE INI A 201

Chain	Residue
A	PHE22
A	TYR23
A	GLY52
A	ALA53
A	LEU54
A	GLU55
A	THR82
A	VAL83
A	HIS90
A	VAL94
A	HOH403
E	ASN115
E	PHE140

---

site_id	AC8
Number of Residues	14
Details	BINDING SITE FOR RESIDUE INI B 202

Chain	Residue
A	ASN115
A	PHE140
B	PHE22
B	TYR23
B	GLY52
B	ALA53
B	LEU54
B	GLU55
B	THR82
B	VAL83
B	ILE84
B	HIS90
B	VAL94
B	HOH422

---

site_id	AC9
Number of Residues	16
Details	BINDING SITE FOR RESIDUE INI C 203

Chain	Residue
B	GLY114
B	ASN115
B	PHE140
B	ALA144
C	PHE22
C	TYR23
C	GLY52
C	ALA53
C	LEU54
C	GLU55
C	THR82
C	VAL83
C	ILE84
C	HIS90
C	VAL94
C	HOH438

---

site_id	BC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE INI D 204

Chain	Residue
C	ASN115
C	PHE140
D	PHE22
D	TYR23
D	GLY52
D	ALA53
D	LEU54
D	GLU55
D	THR82
D	VAL83
D	ILE84
D	HIS90
D	VAL94

---

site_id	BC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE INI E 205

Chain	Residue
D	ASN115
D	PHE140
E	PHE22
E	TYR23
E	GLY52
E	ALA53
E	LEU54
E	GLU55
E	THR82
E	VAL83
E	ILE84
E	HIS90
E	VAL94

---

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	HIS90
B	HIS90
C	HIS90
D	HIS90
E	HIS90

---

site_id	SWS_FT_FI2
Number of Residues	20
Details	BINDING:

Chain	Residue	Details
A	PHE22
C	ALA53
C	THR82
C	ASN115
D	PHE22
D	ALA53
D	THR82
D	ASN115
E	PHE22
E	ALA53
E	THR82
A	ALA53
E	ASN115
A	THR82
A	ASN115
B	PHE22
B	ALA53
B	THR82
B	ASN115
C	PHE22

---

site_id	SWS_FT_FI3
Number of Residues	10
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	GLU87
E	ARG129
A	ARG129
B	GLU87
B	ARG129
C	GLU87
C	ARG129
D	GLU87
D	ARG129
E	GLU87

---

Catalytic Information from CSA

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

Chain	Residue	Details
A	HIS90

---

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

Chain	Residue	Details
B	HIS90

---

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

Chain	Residue	Details
C	HIS90

---

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

Chain	Residue	Details
D	HIS90

---

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

Chain	Residue	Details
E	HIS90

---