Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5K09

Crystal Structure of COMT in complex with a thiazole ligand

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0006584	biological_process	catecholamine metabolic process
A	0008171	molecular_function	O-methyltransferase activity
A	0016206	molecular_function	catechol O-methyltransferase activity
B	0000287	molecular_function	magnesium ion binding
B	0006584	biological_process	catecholamine metabolic process
B	0008171	molecular_function	O-methyltransferase activity
B	0016206	molecular_function	catechol O-methyltransferase activity
C	0000287	molecular_function	magnesium ion binding
C	0006584	biological_process	catecholamine metabolic process
C	0008171	molecular_function	O-methyltransferase activity
C	0016206	molecular_function	catechol O-methyltransferase activity
D	0000287	molecular_function	magnesium ion binding
D	0006584	biological_process	catecholamine metabolic process
D	0008171	molecular_function	O-methyltransferase activity
D	0016206	molecular_function	catechol O-methyltransferase activity
E	0000287	molecular_function	magnesium ion binding
E	0006584	biological_process	catecholamine metabolic process
E	0008171	molecular_function	O-methyltransferase activity
E	0016206	molecular_function	catechol O-methyltransferase activity
F	0000287	molecular_function	magnesium ion binding
F	0006584	biological_process	catecholamine metabolic process
F	0008171	molecular_function	O-methyltransferase activity
F	0016206	molecular_function	catechol O-methyltransferase activity
G	0000287	molecular_function	magnesium ion binding
G	0006584	biological_process	catecholamine metabolic process
G	0008171	molecular_function	O-methyltransferase activity
G	0016206	molecular_function	catechol O-methyltransferase activity
H	0000287	molecular_function	magnesium ion binding
H	0006584	biological_process	catecholamine metabolic process
H	0008171	molecular_function	O-methyltransferase activity
H	0016206	molecular_function	catechol O-methyltransferase activity
I	0000287	molecular_function	magnesium ion binding
I	0006584	biological_process	catecholamine metabolic process
I	0008171	molecular_function	O-methyltransferase activity
I	0016206	molecular_function	catechol O-methyltransferase activity
J	0000287	molecular_function	magnesium ion binding
J	0006584	biological_process	catecholamine metabolic process
J	0008171	molecular_function	O-methyltransferase activity
J	0016206	molecular_function	catechol O-methyltransferase activity
K	0000287	molecular_function	magnesium ion binding
K	0006584	biological_process	catecholamine metabolic process
K	0008171	molecular_function	O-methyltransferase activity
K	0016206	molecular_function	catechol O-methyltransferase activity
L	0000287	molecular_function	magnesium ion binding
L	0006584	biological_process	catecholamine metabolic process
L	0008171	molecular_function	O-methyltransferase activity
L	0016206	molecular_function	catechol O-methyltransferase activity
M	0000287	molecular_function	magnesium ion binding
M	0006584	biological_process	catecholamine metabolic process
M	0008171	molecular_function	O-methyltransferase activity
M	0016206	molecular_function	catechol O-methyltransferase activity
N	0000287	molecular_function	magnesium ion binding
N	0006584	biological_process	catecholamine metabolic process
N	0008171	molecular_function	O-methyltransferase activity
N	0016206	molecular_function	catechol O-methyltransferase activity
O	0000287	molecular_function	magnesium ion binding
O	0006584	biological_process	catecholamine metabolic process
O	0008171	molecular_function	O-methyltransferase activity
O	0016206	molecular_function	catechol O-methyltransferase activity
P	0000287	molecular_function	magnesium ion binding
P	0006584	biological_process	catecholamine metabolic process
P	0008171	molecular_function	O-methyltransferase activity
P	0016206	molecular_function	catechol O-methyltransferase activity
Q	0000287	molecular_function	magnesium ion binding
Q	0006584	biological_process	catecholamine metabolic process
Q	0008171	molecular_function	O-methyltransferase activity
Q	0016206	molecular_function	catechol O-methyltransferase activity
R	0000287	molecular_function	magnesium ion binding
R	0006584	biological_process	catecholamine metabolic process
R	0008171	molecular_function	O-methyltransferase activity
R	0016206	molecular_function	catechol O-methyltransferase activity
S	0000287	molecular_function	magnesium ion binding
S	0006584	biological_process	catecholamine metabolic process
S	0008171	molecular_function	O-methyltransferase activity
S	0016206	molecular_function	catechol O-methyltransferase activity
T	0000287	molecular_function	magnesium ion binding
T	0006584	biological_process	catecholamine metabolic process
T	0008171	molecular_function	O-methyltransferase activity
T	0016206	molecular_function	catechol O-methyltransferase activity
U	0000287	molecular_function	magnesium ion binding
U	0006584	biological_process	catecholamine metabolic process
U	0008171	molecular_function	O-methyltransferase activity
U	0016206	molecular_function	catechol O-methyltransferase activity
V	0000287	molecular_function	magnesium ion binding
V	0006584	biological_process	catecholamine metabolic process
V	0008171	molecular_function	O-methyltransferase activity
V	0016206	molecular_function	catechol O-methyltransferase activity
W	0000287	molecular_function	magnesium ion binding
W	0006584	biological_process	catecholamine metabolic process
W	0008171	molecular_function	O-methyltransferase activity
W	0016206	molecular_function	catechol O-methyltransferase activity
X	0000287	molecular_function	magnesium ion binding
X	0006584	biological_process	catecholamine metabolic process
X	0008171	molecular_function	O-methyltransferase activity
X	0016206	molecular_function	catechol O-methyltransferase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	binding site for residue 6PQ A 301

Chain	Residue
A	MET89
A	GLU90
A	ILE91
A	GLY117
A	SER119
A	GLN120
A	HIS142
A	TRP143
D	MET201

site_id	AC2
Number of Residues	6
Details	binding site for residue K A 302

Chain	Residue
A	ASN41
A	ASP141
A	ASP169
A	ASN170
D	GLU199
D	HOH416

site_id	AC3
Number of Residues	5
Details	binding site for residue K A 303

Chain	Residue
A	VAL183
A	ARG184
A	SER186
A	PHE189
A	HOH421

site_id	AC4
Number of Residues	2
Details	binding site for residue K A 304

Chain	Residue
A	SER58
A	SER60

site_id	AC5
Number of Residues	9
Details	binding site for residue 6PQ B 301

Chain	Residue
B	GLY66
B	MET89
B	GLU90
B	ILE91
B	SER119
B	GLN120
B	HIS142
B	TRP143
Q	MET201

site_id	AC6
Number of Residues	6
Details	binding site for residue K B 302

Chain	Residue
B	ASN41
B	ASP141
B	ASP169
B	ASN170
Q	GLU199
Q	HOH422

site_id	AC7
Number of Residues	4
Details	binding site for residue K B 303

Chain	Residue
B	VAL183
B	ARG184
B	SER186
B	PHE189

site_id	AC8
Number of Residues	9
Details	binding site for residue 6PQ C 301

Chain	Residue
C	GLU90
C	ILE91
C	GLY117
C	ALA118
C	SER119
C	GLN120
C	HIS142
C	TRP143
G	LYS202

site_id	AC9
Number of Residues	6
Details	binding site for residue K C 302

Chain	Residue
C	ASN41
C	ASP141
C	ASP169
C	ASN170
G	GLU199
G	HOH408

site_id	AD1
Number of Residues	5
Details	binding site for residue K C 303

Chain	Residue
C	VAL183
C	ARG184
C	SER186
C	PHE189
C	HOH419

site_id	AD2
Number of Residues	3
Details	binding site for residue PO4 C 304

Chain	Residue
C	GLY83
C	ARG85
C	LYS111

site_id	AD3
Number of Residues	10
Details	binding site for residue 6PQ D 301

Chain	Residue
A	MET201
D	MET89
D	GLU90
D	ILE91
D	ALA118
D	SER119
D	GLN120
D	HIS142
D	TRP143
E	ASP178

site_id	AD4
Number of Residues	6
Details	binding site for residue K D 302

Chain	Residue
A	GLU199
A	HOH416
D	ASN41
D	ASP141
D	ASP169
D	ASN170

site_id	AD5
Number of Residues	5
Details	binding site for residue K D 303

Chain	Residue
D	VAL183
D	ARG184
D	SER186
D	PHE189
D	HOH417

site_id	AD6
Number of Residues	4
Details	binding site for residue PO4 D 304

Chain	Residue
D	PRO82
D	GLY83
D	ARG85
D	LYS111

site_id	AD7
Number of Residues	12
Details	binding site for residue 6PQ E 301

Chain	Residue
G	ASP178
W	MET201
E	GLY66
E	MET89
E	GLU90
E	ILE91
E	GLY117
E	SER119
E	GLN120
E	HIS142
E	TRP143
E	ARG146

site_id	AD8
Number of Residues	5
Details	binding site for residue K E 302

Chain	Residue
E	ASN41
E	ASP141
E	ASP169
E	ASN170
W	GLU199

site_id	AD9
Number of Residues	5
Details	binding site for residue K E 303

Chain	Residue
E	VAL183
E	ARG184
E	SER186
E	PHE189
E	HOH413

site_id	AE1
Number of Residues	11
Details	binding site for residue 6PQ F 301

Chain	Residue
F	MET89
F	GLU90
F	ILE91
F	ALA118
F	SER119
F	GLN120
F	HIS142
F	TRP143
I	MET201
T	LEU148
T	ASP178

site_id	AE2
Number of Residues	6
Details	binding site for residue K F 302

Chain	Residue
F	ASN41
F	ASP141
F	ASP169
F	ASN170
F	HOH421
I	GLU199

site_id	AE3
Number of Residues	5
Details	binding site for residue K F 303

Chain	Residue
F	VAL183
F	ARG184
F	SER186
F	PHE189
F	HOH417

site_id	AE4
Number of Residues	14
Details	binding site for residue 6PQ G 301

Chain	Residue
C	MET201
D	LEU148
D	ASP178
D	TYR182
G	GLY66
G	MET89
G	GLU90
G	ILE91
G	GLY117
G	ALA118
G	SER119
G	GLN120
G	HIS142
G	TRP143

site_id	AE5
Number of Residues	2
Details	binding site for residue K G 302

Chain	Residue
G	SER58
G	SER60

site_id	AE6
Number of Residues	5
Details	binding site for residue K G 303

Chain	Residue
G	VAL183
G	ARG184
G	SER186
G	PHE189
G	HOH411

site_id	AE7
Number of Residues	6
Details	binding site for residue K G 304

Chain	Residue
C	GLU199
G	ASN41
G	ASP141
G	ASP169
G	ASN170
G	HOH413

site_id	AE8
Number of Residues	9
Details	binding site for residue 6PQ H 301

Chain	Residue
H	MET89
H	GLU90
H	ILE91
H	SER119
H	GLN120
H	HIS142
H	TRP143
K	ASP178
R	MET201

site_id	AE9
Number of Residues	6
Details	binding site for residue K H 302

Chain	Residue
H	ASN41
H	ASP141
H	ASP169
H	ASN170
R	GLU199
R	HOH412

site_id	AF1
Number of Residues	5
Details	binding site for residue K H 303

Chain	Residue
H	VAL183
H	ARG184
H	SER186
H	PHE189
H	HOH429

site_id	AF2
Number of Residues	5
Details	binding site for residue PO4 H 304

Chain	Residue
H	PRO82
H	GLY83
H	ARG85
H	LYS111
H	HOH408

site_id	AF3
Number of Residues	9
Details	binding site for residue 6PQ I 301

Chain	Residue
I	GLY66
I	MET89
I	GLU90
I	ILE91
I	SER119
I	GLN120
I	HIS142
I	TRP143
X	ALA181

site_id	AF4
Number of Residues	6
Details	binding site for residue K I 302

Chain	Residue
F	GLU199
I	ASN41
I	ASP141
I	ASP169
I	ASN170
I	HOH418

site_id	AF5
Number of Residues	5
Details	binding site for residue K I 303

Chain	Residue
I	VAL183
I	ARG184
I	SER186
I	PHE189
I	HOH420

site_id	AF6
Number of Residues	4
Details	binding site for residue PO4 I 304

Chain	Residue
I	PRO82
I	GLY83
I	ARG85
I	LYS111

site_id	AF7
Number of Residues	12
Details	binding site for residue 6PQ J 301

Chain	Residue
J	GLY66
J	MET89
J	GLU90
J	ILE91
J	GLY117
J	SER119
J	GLN120
J	HIS142
J	TRP143
J	ARG146
M	ASP178
O	MET201

site_id	AF8
Number of Residues	6
Details	binding site for residue K J 302

Chain	Residue
J	ASN41
J	ASP141
J	ASP169
J	ASN170
J	HOH419
O	GLU199

site_id	AF9
Number of Residues	4
Details	binding site for residue K J 303

Chain	Residue
J	VAL183
J	ARG184
J	SER186
J	PHE189

site_id	AG1
Number of Residues	2
Details	binding site for residue K J 304

Chain	Residue
J	SER58
J	SER60

site_id	AG2
Number of Residues	12
Details	binding site for residue 6PQ K 301

Chain	Residue
B	ASP178
B	TYR182
K	GLY66
K	MET89
K	GLU90
K	ILE91
K	GLY117
K	ALA118
K	SER119
K	GLN120
K	TRP143
N	MET201

site_id	AG3
Number of Residues	6
Details	binding site for residue K K 302

Chain	Residue
K	ASN41
K	ASP141
K	ASP169
K	ASN170
N	GLU199
N	HOH431

site_id	AG4
Number of Residues	4
Details	binding site for residue K K 303

Chain	Residue
K	VAL183
K	ARG184
K	SER186
K	PHE189

site_id	AG5
Number of Residues	2
Details	binding site for residue K K 304

Chain	Residue
K	SER58
K	SER60

site_id	AG6
Number of Residues	4
Details	binding site for residue PO4 K 305

Chain	Residue
K	PRO82
K	GLY83
K	ARG85
K	LYS111

site_id	AG7
Number of Residues	11
Details	binding site for residue 6PQ L 301

Chain	Residue
L	GLY66
L	MET89
L	GLU90
L	ILE91
L	GLY117
L	SER119
L	GLN120
L	HIS142
L	TRP143
M	MET201
O	ASP178

site_id	AG8
Number of Residues	6
Details	binding site for residue K L 302

Chain	Residue
L	ASN41
L	ASP141
L	ASP169
L	ASN170
M	GLU199
M	HOH412

site_id	AG9
Number of Residues	3
Details	binding site for residue K L 303

Chain	Residue
L	SER58
L	SER60
L	GLN81

site_id	AH1
Number of Residues	5
Details	binding site for residue K L 304

Chain	Residue
L	VAL183
L	ARG184
L	SER186
L	PHE189
L	HOH420

site_id	AH2
Number of Residues	9
Details	binding site for residue 6PQ M 301

Chain	Residue
L	MET201
M	GLY66
M	GLU90
M	ILE91
M	ALA118
M	SER119
M	GLN120
M	TRP143
V	ASP178

site_id	AH3
Number of Residues	6
Details	binding site for residue K M 302

Chain	Residue
L	GLU199
L	HOH404
M	ASN41
M	ASP141
M	ASP169
M	ASN170

site_id	AH4
Number of Residues	5
Details	binding site for residue K M 303

Chain	Residue
M	VAL183
M	ARG184
M	SER186
M	PHE189
M	HOH419

site_id	AH5
Number of Residues	2
Details	binding site for residue K M 304

Chain	Residue
M	SER58
M	SER60

site_id	AH6
Number of Residues	4
Details	binding site for residue PO4 M 305

Chain	Residue
M	PRO82
M	GLY83
M	ARG85
M	LYS111

site_id	AH7
Number of Residues	10
Details	binding site for residue 6PQ N 301

Chain	Residue
K	MET201
N	GLU90
N	ILE91
N	GLY117
N	SER119
N	GLN120
N	HIS142
N	TRP143
N	ARG146
R	LEU148

site_id	AH8
Number of Residues	6
Details	binding site for residue K N 302

Chain	Residue
K	GLU199
N	ASN41
N	ASP141
N	ASP169
N	ASN170
N	HOH425

site_id	AH9
Number of Residues	4
Details	binding site for residue K N 303

Chain	Residue
N	VAL183
N	ARG184
N	SER186
N	PHE189

site_id	AI1
Number of Residues	4
Details	binding site for residue K N 304

Chain	Residue
N	SER58
N	SER60
N	HOH432
N	HOH440

site_id	AI2
Number of Residues	6
Details	binding site for residue PO4 N 305

Chain	Residue
N	PRO82
N	GLY83
N	ARG85
N	LYS111
O	SER60
O	HOH403

site_id	AI3
Number of Residues	11
Details	binding site for residue 6PQ O 301

Chain	Residue
J	MET201
O	GLY66
O	MET89
O	GLU90
O	ILE91
O	ALA118
O	SER119
O	GLN120
O	HIS142
O	TRP143
U	ASP178

site_id	AI4
Number of Residues	6
Details	binding site for residue K O 302

Chain	Residue
J	GLU199
O	ASN41
O	ASP141
O	ASP169
O	ASN170
O	HOH421

site_id	AI5
Number of Residues	5
Details	binding site for residue K O 303

Chain	Residue
O	VAL183
O	ARG184
O	SER186
O	PHE189
O	HOH422

site_id	AI6
Number of Residues	4
Details	binding site for residue K O 304

Chain	Residue
N	HOH439
O	SER58
O	SER60
O	HOH405

site_id	AI7
Number of Residues	11
Details	binding site for residue 6PQ P 301

Chain	Residue
F	LEU148
P	MET89
P	GLU90
P	ILE91
P	GLY117
P	ALA118
P	SER119
P	GLN120
P	HIS142
P	TRP143
X	MET201

site_id	AI8
Number of Residues	6
Details	binding site for residue K P 302

Chain	Residue
P	ASN41
P	ASP141
P	ASP169
P	ASN170
P	HOH406
X	GLU199

site_id	AI9
Number of Residues	4
Details	binding site for residue K P 303

Chain	Residue
P	VAL183
P	ARG184
P	SER186
P	PHE189

site_id	AJ1
Number of Residues	10
Details	binding site for residue 6PQ Q 301

Chain	Residue
B	MET201
N	ASP178
Q	GLY66
Q	MET89
Q	GLU90
Q	ILE91
Q	SER119
Q	GLN120
Q	HIS142
Q	TRP143

site_id	AJ2
Number of Residues	6
Details	binding site for residue K Q 302

Chain	Residue
B	GLU199
B	HOH416
Q	ASN41
Q	ASP141
Q	ASP169
Q	ASN170

site_id	AJ3
Number of Residues	5
Details	binding site for residue K Q 303

Chain	Residue
Q	VAL183
Q	ARG184
Q	SER186
Q	PHE189
Q	HOH423

site_id	AJ4
Number of Residues	3
Details	binding site for residue PO4 Q 304

Chain	Residue
Q	GLY83
Q	ARG85
Q	LYS111

site_id	AJ5
Number of Residues	12
Details	binding site for residue 6PQ R 301

Chain	Residue
H	MET201
Q	ASP178
Q	TYR182
R	GLY66
R	MET89
R	GLU90
R	ILE91
R	ALA118
R	SER119
R	GLN120
R	HIS142
R	TRP143

site_id	AJ6
Number of Residues	6
Details	binding site for residue K R 302

Chain	Residue
H	GLU199
H	HOH414
R	ASN41
R	ASP141
R	ASP169
R	ASN170

site_id	AJ7
Number of Residues	3
Details	binding site for residue K R 303

Chain	Residue
R	SER58
R	SER60
R	GLN81

site_id	AJ8
Number of Residues	5
Details	binding site for residue K R 304

Chain	Residue
R	VAL183
R	ARG184
R	SER186
R	PHE189
R	HOH421

site_id	AJ9
Number of Residues	10
Details	binding site for residue 6PQ S 301

Chain	Residue
S	GLY66
S	GLU90
S	ILE91
S	GLY117
S	ALA118
S	SER119
S	GLN120
S	HIS142
S	TRP143
T	MET201

site_id	AK1
Number of Residues	6
Details	binding site for residue K S 302

Chain	Residue
S	ASN41
S	ASP141
S	ASP169
S	ASN170
S	HOH418
T	GLU199

site_id	AK2
Number of Residues	2
Details	binding site for residue K S 303

Chain	Residue
S	SER58
S	SER60

site_id	AK3
Number of Residues	5
Details	binding site for residue K S 304

Chain	Residue
S	VAL183
S	ARG184
S	SER186
S	PHE189
S	HOH419

site_id	AK4
Number of Residues	4
Details	binding site for residue PO4 S 305

Chain	Residue
S	PRO82
S	GLY83
S	ARG85
S	LYS111

site_id	AK5
Number of Residues	9
Details	binding site for residue 6PQ T 301

Chain	Residue
P	ASP178
T	GLY66
T	MET89
T	GLU90
T	ILE91
T	SER119
T	GLN120
T	HIS142
T	TRP143

site_id	AK6
Number of Residues	6
Details	binding site for residue K T 302

Chain	Residue
S	GLU199
S	HOH413
T	ASN41
T	ASP141
T	ASP169
T	ASN170

site_id	AK7
Number of Residues	6
Details	binding site for residue K T 303

Chain	Residue
F	HOH422
T	VAL183
T	ARG184
T	SER186
T	PHE189
T	HOH422

site_id	AK8
Number of Residues	5
Details	binding site for residue PO4 T 304

Chain	Residue
T	PRO82
T	GLY83
T	ARG85
T	LYS111
T	HOH402

site_id	AK9
Number of Residues	10
Details	binding site for residue 6PQ U 301

Chain	Residue
L	LEU148
U	GLY66
U	GLU90
U	ILE91
U	SER119
U	GLN120
U	HIS142
U	TRP143
U	ARG146
V	MET201

site_id	AL1
Number of Residues	6
Details	binding site for residue K U 302

Chain	Residue
U	ASN41
U	ASP141
U	ASP169
U	ASN170
V	GLU199
V	HOH411

site_id	AL2
Number of Residues	4
Details	binding site for residue K U 303

Chain	Residue
U	VAL183
U	ARG184
U	SER186
U	PHE189

site_id	AL3
Number of Residues	11
Details	binding site for residue 6PQ V 301

Chain	Residue
J	LEU148
J	ASP178
V	GLY66
V	MET89
V	GLU90
V	ILE91
V	ALA118
V	SER119
V	GLN120
V	HIS142
V	TRP143

site_id	AL4
Number of Residues	5
Details	binding site for residue K V 302

Chain	Residue
U	GLU199
V	ASN41
V	ASP141
V	ASP169
V	ASN170

site_id	AL5
Number of Residues	5
Details	binding site for residue K V 303

Chain	Residue
V	VAL183
V	ARG184
V	SER186
V	PHE189
V	HOH415

site_id	AL6
Number of Residues	3
Details	binding site for residue PO4 V 304

Chain	Residue
V	GLY83
V	ARG85
V	LYS111

site_id	AL7
Number of Residues	10
Details	binding site for residue 6PQ W 301

Chain	Residue
A	ASP178
E	MET201
W	MET89
W	GLU90
W	ILE91
W	ALA118
W	SER119
W	GLN120
W	HIS142
W	TRP143

site_id	AL8
Number of Residues	6
Details	binding site for residue K W 302

Chain	Residue
E	GLU199
W	ASN41
W	ASP141
W	ASP169
W	ASN170
W	HOH411

site_id	AL9
Number of Residues	5
Details	binding site for residue K W 303

Chain	Residue
W	VAL183
W	ARG184
W	SER186
W	PHE189
W	HOH409

site_id	AM1
Number of Residues	4
Details	binding site for residue PO4 W 304

Chain	Residue
W	PRO82
W	GLY83
W	ARG85
W	LYS111

site_id	AM2
Number of Residues	14
Details	binding site for residue 6PQ X 301

Chain	Residue
P	MET201
P	LYS202
S	LEU148
S	ASP178
X	GLY66
X	MET89
X	GLU90
X	ILE91
X	GLY117
X	ALA118
X	SER119
X	GLN120
X	HIS142
X	TRP143

site_id	AM3
Number of Residues	6
Details	binding site for residue K X 302

Chain	Residue
P	GLU199
P	HOH407
X	ASN41
X	ASP141
X	ASP169
X	ASN170

site_id	AM4
Number of Residues	6
Details	binding site for residue K X 303

Chain	Residue
I	HOH407
X	VAL183
X	ARG184
X	SER186
X	PHE189
X	HOH408

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	96
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01019","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12237326","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	72
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01019","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	168
Details	Binding site: {}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	35
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"22673903","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
A	ASP141	metal ligand
A	LYS144	proton shuttle (general acid/base)
A	ASP169	metal ligand
A	ASN170	metal ligand
A	GLU199	electrostatic stabiliser

site_id	MCSA10
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
J	ASP141	metal ligand
J	LYS144	proton shuttle (general acid/base)
J	ASP169	metal ligand
J	ASN170	metal ligand
J	GLU199	electrostatic stabiliser

site_id	MCSA11
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
K	ASP141	metal ligand
K	LYS144	proton shuttle (general acid/base)
K	ASP169	metal ligand
K	ASN170	metal ligand
K	GLU199	electrostatic stabiliser

site_id	MCSA12
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
L	ASP141	metal ligand
L	LYS144	proton shuttle (general acid/base)
L	ASP169	metal ligand
L	ASN170	metal ligand
L	GLU199	electrostatic stabiliser

site_id	MCSA13
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
M	ASP141	metal ligand
M	LYS144	proton shuttle (general acid/base)
M	ASP169	metal ligand
M	ASN170	metal ligand
M	GLU199	electrostatic stabiliser

site_id	MCSA14
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
N	ASP141	metal ligand
N	LYS144	proton shuttle (general acid/base)
N	ASP169	metal ligand
N	ASN170	metal ligand
N	GLU199	electrostatic stabiliser

site_id	MCSA15
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
O	ASP141	metal ligand
O	LYS144	proton shuttle (general acid/base)
O	ASP169	metal ligand
O	ASN170	metal ligand
O	GLU199	electrostatic stabiliser

site_id	MCSA16
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
P	ASP141	metal ligand
P	LYS144	proton shuttle (general acid/base)
P	ASP169	metal ligand
P	ASN170	metal ligand
P	GLU199	electrostatic stabiliser

site_id	MCSA17
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
Q	ASP141	metal ligand
Q	LYS144	proton shuttle (general acid/base)
Q	ASP169	metal ligand
Q	ASN170	metal ligand
Q	GLU199	electrostatic stabiliser

site_id	MCSA18
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
R	ASP141	metal ligand
R	LYS144	proton shuttle (general acid/base)
R	ASP169	metal ligand
R	ASN170	metal ligand
R	GLU199	electrostatic stabiliser

site_id	MCSA19
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
S	ASP141	metal ligand
S	LYS144	proton shuttle (general acid/base)
S	ASP169	metal ligand
S	ASN170	metal ligand
S	GLU199	electrostatic stabiliser

site_id	MCSA2
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
B	ASP141	metal ligand
B	LYS144	proton shuttle (general acid/base)
B	ASP169	metal ligand
B	ASN170	metal ligand
B	GLU199	electrostatic stabiliser

site_id	MCSA20
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
T	ASP141	metal ligand
T	LYS144	proton shuttle (general acid/base)
T	ASP169	metal ligand
T	ASN170	metal ligand
T	GLU199	electrostatic stabiliser

site_id	MCSA21
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
U	ASP141	metal ligand
U	LYS144	proton shuttle (general acid/base)
U	ASP169	metal ligand
U	ASN170	metal ligand
U	GLU199	electrostatic stabiliser

site_id	MCSA22
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
V	ASP141	metal ligand
V	LYS144	proton shuttle (general acid/base)
V	ASP169	metal ligand
V	ASN170	metal ligand
V	GLU199	electrostatic stabiliser

site_id	MCSA23
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
W	ASP141	metal ligand
W	LYS144	proton shuttle (general acid/base)
W	ASP169	metal ligand
W	ASN170	metal ligand
W	GLU199	electrostatic stabiliser

site_id	MCSA24
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
X	ASP141	metal ligand
X	LYS144	proton shuttle (general acid/base)
X	ASP169	metal ligand
X	ASN170	metal ligand
X	GLU199	electrostatic stabiliser

site_id	MCSA3
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
C	ASP141	metal ligand
C	LYS144	proton shuttle (general acid/base)
C	ASP169	metal ligand
C	ASN170	metal ligand
C	GLU199	electrostatic stabiliser

site_id	MCSA4
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
D	ASP141	metal ligand
D	LYS144	proton shuttle (general acid/base)
D	ASP169	metal ligand
D	ASN170	metal ligand
D	GLU199	electrostatic stabiliser

site_id	MCSA5
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
E	ASP141	metal ligand
E	LYS144	proton shuttle (general acid/base)
E	ASP169	metal ligand
E	ASN170	metal ligand
E	GLU199	electrostatic stabiliser

site_id	MCSA6
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
F	ASP141	metal ligand
F	LYS144	proton shuttle (general acid/base)
F	ASP169	metal ligand
F	ASN170	metal ligand
F	GLU199	electrostatic stabiliser

site_id	MCSA7
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
G	ASP141	metal ligand
G	LYS144	proton shuttle (general acid/base)
G	ASP169	metal ligand
G	ASN170	metal ligand
G	GLU199	electrostatic stabiliser

site_id	MCSA8
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
H	ASP141	metal ligand
H	LYS144	proton shuttle (general acid/base)
H	ASP169	metal ligand
H	ASN170	metal ligand
H	GLU199	electrostatic stabiliser

site_id	MCSA9
Number of Residues	5
Details	M-CSA 915

Chain	Residue	Details
I	ASP141	metal ligand
I	LYS144	proton shuttle (general acid/base)
I	ASP169	metal ligand
I	ASN170	metal ligand
I	GLU199	electrostatic stabiliser

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