Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2IVG

SITE DIRECTED MUTAGENESIS OF KEY RESIDUES INVOLVED IN THE CATALYTIC MECHANISM OF CYANASE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003677	molecular_function	DNA binding
A	0008824	molecular_function	cyanate hydratase activity
A	0009440	biological_process	cyanate catabolic process
B	0003677	molecular_function	DNA binding
B	0008824	molecular_function	cyanate hydratase activity
B	0009440	biological_process	cyanate catabolic process
C	0003677	molecular_function	DNA binding
C	0008824	molecular_function	cyanate hydratase activity
C	0009440	biological_process	cyanate catabolic process
D	0003677	molecular_function	DNA binding
D	0008824	molecular_function	cyanate hydratase activity
D	0009440	biological_process	cyanate catabolic process
E	0003677	molecular_function	DNA binding
E	0008824	molecular_function	cyanate hydratase activity
E	0009440	biological_process	cyanate catabolic process
F	0003677	molecular_function	DNA binding
F	0008824	molecular_function	cyanate hydratase activity
F	0009440	biological_process	cyanate catabolic process
G	0003677	molecular_function	DNA binding
G	0008824	molecular_function	cyanate hydratase activity
G	0009440	biological_process	cyanate catabolic process
H	0003677	molecular_function	DNA binding
H	0008824	molecular_function	cyanate hydratase activity
H	0009440	biological_process	cyanate catabolic process
I	0003677	molecular_function	DNA binding
I	0008824	molecular_function	cyanate hydratase activity
I	0009440	biological_process	cyanate catabolic process
J	0003677	molecular_function	DNA binding
J	0008824	molecular_function	cyanate hydratase activity
J	0009440	biological_process	cyanate catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C1157

Chain	Residue
C	ALA39
C	GLU40
C	HOH2166

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D1157

Chain	Residue
D	ALA39
D	GLU40
D	HOH2184
D	HOH2185

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 F1157

Chain	Residue
F	HOH2164
F	HOH2165
F	ALA39
F	GLU40

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 H1157

Chain	Residue
H	ALA39
H	GLU40
H	HOH2172
H	HOH2173

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 I1157

Chain	Residue
I	ALA39
I	GLU40
I	HOH2181
I	HOH2182
I	HOH2183

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 J1157

Chain	Residue
J	ALA39
J	GLU40
J	HOH2192

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 D1158

Chain	Residue
A	ARG87
A	ILE88
A	HOH2124
B	ARG87
D	ARG87
D	HOH2186
J	ARG87

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 I1158

Chain	Residue
A	ARG87
C	ARG87
I	ARG87
I	ILE88
I	HOH2184
J	ARG87

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C1158

Chain	Residue
C	ARG87
C	ILE88
G	ARG87
H	ARG87
I	ARG87

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 E1157

Chain	Residue
E	ARG87
E	ILE88
F	ARG87
G	ARG87
G	ILE88
H	ARG87

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B1157

Chain	Residue
B	ARG87
B	ILE88
D	ARG87
E	ARG87
F	ARG87
F	ILE88

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D1159

Chain	Residue
D	ALA33
D	ASP34
D	GLY35
D	THR36
D	GLY37

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 E1158

Chain	Residue
E	ASP34
E	GLY35
E	THR36
E	GLY37
E	LEU38
E	HOH2047

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 F1158

Chain	Residue
F	ASP34
F	GLY35
F	THR36
F	GLY37
F	LEU38
F	HOH2166

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 H1158

Chain	Residue
H	ASP34
H	GLY35
H	THR36
H	GLY37
H	LEU38
H	HOH2067

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 I1159

Chain	Residue
I	ALA33
I	GLY35
I	THR36
I	GLY37

site_id	BC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 J1158

Chain	Residue
J	ALA33
J	ASP34
J	GLY35
J	THR36
J	GLY37
J	LEU38
J	HOH2193

site_id	BC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SO4 H1159

Chain	Residue
C	ARG96
E	ARG96
G	ILE120
G	SO41158
G	CL1160
H	ILE120
H	SER122
H	ALA123
H	CL1161
H	HOH2174
H	HOH2175

site_id	CC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SO4 J1159

Chain	Residue
D	ARG96
I	ARG96
J	ILE120
J	SER122
J	ALA123
J	SO41160
J	CL1162
J	CL1163
J	HOH2194
J	HOH2195
A	ILE120

site_id	CC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SO4 D1160

Chain	Residue
A	ARG96
B	ILE120
D	ILE120
D	SER122
D	ALA123
D	ILE124
D	SO41161
D	CL1163
D	CL1164
D	HOH2187
F	ARG96

site_id	CC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SO4 I1160

Chain	Residue
C	ILE120
H	ARG96
I	ILE120
I	SER122
I	ALA123
I	ILE124
I	SO41161
I	CL1163
I	CL1164
I	HOH2185
J	ARG96

site_id	CC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SO4 F1159

Chain	Residue
B	ARG96
E	ILE120
E	CL1160
F	ILE120
F	SER122
F	ALA123
F	ILE124
F	SO41160
F	CL1162
F	HOH2168
G	ARG96

site_id	CC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A1157

Chain	Residue
A	ASN125
A	LYS149
A	HOH2177
A	HOH2179
A	HOH2180
A	HOH2181
A	HOH2182
J	PRO152

site_id	CC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SO4 F1160

Chain	Residue
B	ARG96
E	ILE120
E	SER122
E	ALA123
E	ILE124
E	CL1160
F	ILE120
F	SO41159
F	CL1162
F	HOH2169
G	ARG96

site_id	CC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 I1161

Chain	Residue
C	ILE120
C	SER122
C	ALA123
H	ARG96
I	ILE120
I	SO41160
I	CL1163
I	CL1164
I	HOH2186
J	ARG96

site_id	CC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 D1161

Chain	Residue
A	ARG96
B	ILE120
B	SER122
B	ALA123
D	ILE120
D	SO41160
D	CL1163
D	CL1164
D	HOH2188
F	ARG96

site_id	CC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 G1157

Chain	Residue
G	ASN125
G	LYS149
G	HOH2178
G	HOH2179
G	HOH2180
G	HOH2181
G	HOH2182
H	HOH2169

site_id	DC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE SO4 G1158

Chain	Residue
C	ARG96
E	ARG96
E	GLU99
G	ILE120
G	SER122
G	ALA123
G	ILE124
G	CL1160
G	HOH2183
H	ILE120
H	SO41159
H	CL1161

site_id	DC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SO4 J1160

Chain	Residue
A	ILE120
A	SER122
A	ALA123
D	ARG96
D	GLU99
I	ARG96
J	ILE120
J	SO41159
J	CL1162
J	CL1163
J	HOH2196

site_id	DC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL E1159

Chain	Residue
E	VAL130
E	HOH2050

site_id	DC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL J1161

Chain	Residue
J	VAL130
J	HOH2192

site_id	DC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL I1162

Chain	Residue
I	VAL130
I	HOH2062
I	HOH2183

site_id	DC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A1158

Chain	Residue
A	VAL130
A	HOH2072

site_id	DC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL H1160

Chain	Residue
H	GLU40
H	VAL130
H	HOH2173

site_id	DC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL F1161

Chain	Residue
F	VAL130
F	HOH2165

site_id	DC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B1158

Chain	Residue
B	VAL130
B	HOH2053

site_id	EC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL G1159

Chain	Residue
G	VAL130
G	HOH2073

site_id	EC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL D1162

Chain	Residue
D	VAL130
D	HOH2184

site_id	EC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL C1159

Chain	Residue
C	VAL130

site_id	EC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE AZI C1160

Chain	Residue
C	ASN125
C	LYS149
C	HOH2167

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	30
Details	Active site: {}

Chain

Residue

Details

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	3
Details	M-CSA 845

Chain	Residue	Details
A	ARG96	electrostatic stabiliser
A	GLU99	enhance reactivity
A	SER122	electrostatic stabiliser

site_id	MCSA10
Number of Residues	3
Details	M-CSA 845

Chain	Residue	Details
J	ARG96	electrostatic stabiliser
J	GLU99	enhance reactivity
J	SER122	electrostatic stabiliser

site_id	MCSA2
Number of Residues	3
Details	M-CSA 845

Chain	Residue	Details
B	ARG96	electrostatic stabiliser
B	GLU99	enhance reactivity
B	SER122	electrostatic stabiliser

site_id	MCSA3
Number of Residues	3
Details	M-CSA 845

Chain	Residue	Details
C	ARG96	electrostatic stabiliser
C	GLU99	enhance reactivity
C	SER122	electrostatic stabiliser

site_id	MCSA4
Number of Residues	3
Details	M-CSA 845

Chain	Residue	Details
D	ARG96	electrostatic stabiliser
D	GLU99	enhance reactivity
D	SER122	electrostatic stabiliser

site_id	MCSA5
Number of Residues	3
Details	M-CSA 845

Chain	Residue	Details
E	ARG96	electrostatic stabiliser
E	GLU99	enhance reactivity
E	SER122	electrostatic stabiliser

site_id	MCSA6
Number of Residues	3
Details	M-CSA 845

Chain	Residue	Details
F	ARG96	electrostatic stabiliser
F	GLU99	enhance reactivity
F	SER122	electrostatic stabiliser

site_id	MCSA7
Number of Residues	3
Details	M-CSA 845

Chain	Residue	Details
G	ARG96	electrostatic stabiliser
G	GLU99	enhance reactivity
G	SER122	electrostatic stabiliser

site_id	MCSA8
Number of Residues	3
Details	M-CSA 845

Chain	Residue	Details
H	ARG96	electrostatic stabiliser
H	GLU99	enhance reactivity
H	SER122	electrostatic stabiliser

site_id	MCSA9
Number of Residues	3
Details	M-CSA 845

Chain	Residue	Details
I	ARG96	electrostatic stabiliser
I	GLU99	enhance reactivity
I	SER122	electrostatic stabiliser

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)