Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3MI5

Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0005506	molecular_function	iron ion binding
A	0008199	molecular_function	ferric iron binding
A	0009056	biological_process	catabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
A	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
A	0042952	biological_process	beta-ketoadipate pathway
A	0051213	molecular_function	dioxygenase activity
B	0003824	molecular_function	catalytic activity
B	0005506	molecular_function	iron ion binding
B	0008199	molecular_function	ferric iron binding
B	0009056	biological_process	catabolic process
B	0016491	molecular_function	oxidoreductase activity
B	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
B	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
B	0042952	biological_process	beta-ketoadipate pathway
B	0051213	molecular_function	dioxygenase activity
C	0003824	molecular_function	catalytic activity
C	0005506	molecular_function	iron ion binding
C	0008199	molecular_function	ferric iron binding
C	0009056	biological_process	catabolic process
C	0016491	molecular_function	oxidoreductase activity
C	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
C	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
C	0042952	biological_process	beta-ketoadipate pathway
C	0051213	molecular_function	dioxygenase activity
D	0003824	molecular_function	catalytic activity
D	0005506	molecular_function	iron ion binding
D	0008199	molecular_function	ferric iron binding
D	0009056	biological_process	catabolic process
D	0016491	molecular_function	oxidoreductase activity
D	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
D	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
D	0042952	biological_process	beta-ketoadipate pathway
D	0051213	molecular_function	dioxygenase activity
E	0003824	molecular_function	catalytic activity
E	0005506	molecular_function	iron ion binding
E	0008199	molecular_function	ferric iron binding
E	0009056	biological_process	catabolic process
E	0016491	molecular_function	oxidoreductase activity
E	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
E	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
E	0042952	biological_process	beta-ketoadipate pathway
E	0051213	molecular_function	dioxygenase activity
F	0003824	molecular_function	catalytic activity
F	0005506	molecular_function	iron ion binding
F	0008199	molecular_function	ferric iron binding
F	0009056	biological_process	catabolic process
F	0016491	molecular_function	oxidoreductase activity
F	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
F	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
F	0042952	biological_process	beta-ketoadipate pathway
F	0051213	molecular_function	dioxygenase activity
M	0003824	molecular_function	catalytic activity
M	0005506	molecular_function	iron ion binding
M	0008199	molecular_function	ferric iron binding
M	0016491	molecular_function	oxidoreductase activity
M	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
M	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
M	0019619	biological_process	3,4-dihydroxybenzoate catabolic process
M	0042952	biological_process	beta-ketoadipate pathway
M	0046872	molecular_function	metal ion binding
M	0051213	molecular_function	dioxygenase activity
N	0003824	molecular_function	catalytic activity
N	0005506	molecular_function	iron ion binding
N	0008199	molecular_function	ferric iron binding
N	0016491	molecular_function	oxidoreductase activity
N	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
N	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
N	0019619	biological_process	3,4-dihydroxybenzoate catabolic process
N	0042952	biological_process	beta-ketoadipate pathway
N	0046872	molecular_function	metal ion binding
N	0051213	molecular_function	dioxygenase activity
O	0003824	molecular_function	catalytic activity
O	0005506	molecular_function	iron ion binding
O	0008199	molecular_function	ferric iron binding
O	0016491	molecular_function	oxidoreductase activity
O	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
O	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
O	0019619	biological_process	3,4-dihydroxybenzoate catabolic process
O	0042952	biological_process	beta-ketoadipate pathway
O	0046872	molecular_function	metal ion binding
O	0051213	molecular_function	dioxygenase activity
P	0003824	molecular_function	catalytic activity
P	0005506	molecular_function	iron ion binding
P	0008199	molecular_function	ferric iron binding
P	0016491	molecular_function	oxidoreductase activity
P	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
P	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
P	0019619	biological_process	3,4-dihydroxybenzoate catabolic process
P	0042952	biological_process	beta-ketoadipate pathway
P	0046872	molecular_function	metal ion binding
P	0051213	molecular_function	dioxygenase activity
Q	0003824	molecular_function	catalytic activity
Q	0005506	molecular_function	iron ion binding
Q	0008199	molecular_function	ferric iron binding
Q	0016491	molecular_function	oxidoreductase activity
Q	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
Q	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
Q	0019619	biological_process	3,4-dihydroxybenzoate catabolic process
Q	0042952	biological_process	beta-ketoadipate pathway
Q	0046872	molecular_function	metal ion binding
Q	0051213	molecular_function	dioxygenase activity
R	0003824	molecular_function	catalytic activity
R	0005506	molecular_function	iron ion binding
R	0008199	molecular_function	ferric iron binding
R	0016491	molecular_function	oxidoreductase activity
R	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
R	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
R	0019619	biological_process	3,4-dihydroxybenzoate catabolic process
R	0042952	biological_process	beta-ketoadipate pathway
R	0046872	molecular_function	metal ion binding
R	0051213	molecular_function	dioxygenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 201

Chain	Residue
A	ASN37
A	THR105
A	HIS107
A	GOL204
A	HOH1194

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME A 202

Chain	Residue
A	THR98
A	PHE99
A	ASP100
A	HOH2124

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 203

Chain	Residue
A	THR169
A	ILE171
A	ARG184
A	PHE185
A	ASP186
A	ARG188
A	HOH2061
A	HOH2062

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 204

Chain	Residue
A	TRP36
A	ASN37
A	THR95
A	ALA96
A	TRP104
A	THR105
A	SO4201
A	HOH1768

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 205

Chain	Residue
A	ARG38
A	LEU39
A	LYS41
A	ASN84
A	LEU85
A	ASN87
A	ASN90

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 206

Chain	Residue
A	LEU23
A	ASN28
A	PRO29
A	HOH222
M	ASN366
M	PHE367
M	GLY424
M	VAL426

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CAQ A 207

Chain	Residue
A	ASN152
A	PRO164
A	ARG167
A	HOH1266

site_id	AC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 208

Chain	Residue
A	LEU21
A	ALA22
A	LEU23
A	GLU24
A	THR30
A	GLU34
A	TRP36
A	HOH1136
A	HOH1674

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE M 600

Chain	Residue
M	TYR408
M	HIS447
M	HIS460
M	TYR462
M	CAQ539

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL M 12

Chain	Residue
M	GLN503
M	ILE505
M	ARG522
M	PHE523
M	ASP524

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL M 16

Chain	Residue
M	ARG407
M	LEU419

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME M 28

Chain	Residue
M	ARG409
M	PRO421

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME M 30

Chain	Residue
M	PRO515
O	ARG307
O	GLN341

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL M 10

Chain	Residue
M	ARG333
M	HOH1220
N	PRO322
N	ILE328

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL M 14

Chain	Residue
M	ARG450
M	PRO453
M	HOH2057
M	HOH2254
O	SER338
O	PRO340

site_id	BC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE BME M 1

Chain	Residue
A	TYR16
M	ASP413
M	HIS447
M	PRO448
M	TRP449
M	ARG450
M	MET516
M	CAQ539
M	HOH2287
M	HOH2303

site_id	BC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL M 2

Chain	Residue
M	ASP432
M	SER433

site_id	BC9
Number of Residues	13
Details	BINDING SITE FOR RESIDUE CAQ M 539

Chain	Residue
M	HIS460
M	TYR462
M	FE600
M	HOH861
M	HOH2030
M	HOH2117
A	PRO15
A	TYR16
M	BME1
M	TYR408
M	HIS447
M	TRP449
M	ARG457

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME M 540

Chain	Residue
M	PHE356
M	CYS429
M	LEU430
M	HOH917

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 201

Chain	Residue
B	ASN37
B	THR105
B	HIS107
B	HOH2181

site_id	CC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME B 202

Chain	Residue
B	THR98
B	PHE99
B	ASP100
B	HOH2116
B	HOH2193

site_id	CC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL B 203

Chain	Residue
B	LEU23
B	ASN28
B	PRO29
B	HOH949
N	ASN366
N	PHE367
N	GLY424
N	VAL426
N	HOH873

site_id	CC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME B 204

Chain	Residue
B	GLY60
B	ARG188

site_id	CC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 205

Chain	Residue
B	THR169
B	ILE171
B	ARG184
B	PHE185
B	ASP186
B	ARG188
B	HOH2083
B	HOH2084

site_id	CC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CAQ B 206

Chain	Residue
B	ARG167
B	HOH1873

site_id	CC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 207

Chain	Residue
B	ARG38
B	LEU39
B	ASN84
B	LEU85
B	ASN87
B	ASN90

site_id	CC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE N 600

Chain	Residue
N	CAQ3
N	TYR408
N	HIS447
N	HIS460
N	TYR462

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 N 11

Chain	Residue
N	ARG409
N	LEU419
N	PRO421
N	HOH830

site_id	DC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME N 18

Chain	Residue
N	ARG307
N	GLN341
N	ARG531
R	PRO515

site_id	DC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL N 26

Chain	Residue
N	ARG333
N	HOH1079
O	ILE328

site_id	DC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME N 8

Chain	Residue
M	SER338
M	PRO340
N	ARG450
N	HOH1404
Q	MET516

site_id	DC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL N 1

Chain	Residue
N	GLN503
N	ILE505
N	LYS507
N	ARG522
N	PHE523
N	ASP524

site_id	DC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE CAQ N 3

Chain	Residue
B	PRO15
B	TYR16
B	HOH2031
N	TYR408
N	HIS447
N	TRP449
N	ARG457
N	HIS460
N	TYR462
N	HOH563
N	FE600

site_id	DC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL N 539

Chain	Residue
N	ARG450

site_id	DC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 201

Chain	Residue
C	ASN37
C	ARG38
C	THR105
C	HIS107
C	GOL203

site_id	DC9
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL C 202

Chain	Residue
C	ARG38
C	LEU39
C	ALA40
C	LYS41
C	ASN84
C	LEU85
C	ASN87
C	ALA88
C	PHE89
C	ASN90

site_id	EC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 203

Chain	Residue
C	TRP36
C	THR95
C	ALA96
C	TRP104
C	THR105
C	SO4201
C	HOH2056

site_id	EC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 204

Chain	Residue
C	GLU168
C	THR169
C	ILE171
C	ARG184
C	PHE185
C	ASP186
C	ARG188

site_id	EC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME C 205

Chain	Residue
C	THR98
C	PHE99
C	ASP100
C	HOH2129

site_id	EC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CAQ C 206

Chain	Residue
C	PRO164
C	ARG167
C	GLU168
C	HOH923

site_id	EC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 207

Chain	Residue
C	LEU21
C	ALA22
C	LEU23
C	GLU24
C	GLU34
C	TRP36
C	HOH1634
C	HOH1974

site_id	EC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE O 600

Chain	Residue
O	CAQ4
O	TYR408
O	HIS447
O	HIS460
O	TYR462

site_id	EC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 O 12

Chain	Residue
O	ARG450
O	CL541
O	HOH1779
O	HOH2187

site_id	EC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL O 17

Chain	Residue
D	GLU176
O	PHE356
O	CYS429
O	LEU430
O	HOH1397
O	HOH2176

site_id	EC9
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL O 29

Chain	Residue
C	LEU23
C	ASN28
C	PRO29
O	HOH148
O	ASN366
O	PHE367
O	ARG409
O	GLY424
O	VAL426
O	HOH557

site_id	FC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME O 9

Chain	Residue
N	SER338
N	PRO340
O	ARG450
R	MET516

site_id	FC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL O 1

Chain	Residue
O	GLN503
O	ILE505
O	LYS507
O	ARG522
O	PHE523
O	ASP524

site_id	FC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL O 539

Chain	Residue
M	ILE328
O	ARG333
O	HOH1292

site_id	FC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE CAQ O 4

Chain	Residue
C	PRO15
C	TYR16
O	TYR408
O	HIS447
O	TRP449
O	ARG457
O	HIS460
O	TYR462
O	FE600
O	HOH698
O	HOH2032
O	HOH2091

site_id	FC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME O 540

Chain	Residue
O	THR321
O	PRO322
O	ASP323
O	LYS493
O	HOH553

site_id	FC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL O 541

Chain	Residue
O	SO412
O	TRP449
O	ARG450

site_id	FC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME O 542

Chain	Residue
O	ARG383
O	PRO391

site_id	FC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 201

Chain	Residue
D	ASN37
D	THR105
D	HIS107
D	BME207
D	HOH1068

site_id	FC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME D 202

Chain	Residue
D	THR98
D	PHE99
D	ASP100
D	HOH2036
D	HOH2122

site_id	GC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 203

Chain	Residue
D	ARG38
D	LEU39
D	LYS41
D	ASN84
D	LEU85
D	ASN87
D	ASN90
D	HOH1227

site_id	GC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 204

Chain	Residue
D	THR169
D	ILE171
D	ARG184
D	PHE185
D	ASP186
D	ARG188
D	HOH1590
D	HOH2114

site_id	GC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL D 205

Chain	Residue
C	GLN33
C	ASN84
C	HOH865
D	ARG174
O	HIS353
O	GLY355

site_id	GC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL D 206

Chain	Residue
D	LEU23
D	ASN28
D	PRO29
D	HOH222
D	HOH257
P	ASN366
P	PHE367
P	GLY424
P	VAL426

site_id	GC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE BME D 207

Chain	Residue
D	TRP36
D	ASN37
D	THR95
D	ALA96
D	TRP104
D	THR105
D	SO4201
D	HOH1448
D	HOH1498

site_id	GC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CAQ D 208

Chain	Residue
D	ASN152
D	PRO164
D	ARG167
D	HOH1190

site_id	GC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE P 600

Chain	Residue
P	TYR408
P	HIS447
P	HIS460
P	TYR462
P	CAQ542

site_id	GC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE BME P 5

Chain	Residue
P	ALA358

site_id	GC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL P 17

Chain	Residue
P	ARG450
P	PRO453
P	PRO515
P	MET516
P	HOH2077
R	SER338
R	ILE339
R	PRO340

site_id	HC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL P 1

Chain	Residue
P	GLN503
P	ILE505
P	ARG522
P	PHE523
P	ASP524
P	HOH2169

site_id	HC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE BME P 539

Chain	Residue
D	TYR16
P	SO42
P	ASP413
P	ARG414
P	HIS447
P	PRO448
P	TRP449
P	ARG450

site_id	HC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL P 540

Chain	Residue
P	PHE356
P	CYS429
P	LEU430
P	HOH1172

site_id	HC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME P 541

Chain	Residue
P	HIS534
P	PHE535
P	GLU536

site_id	HC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 P 2

Chain	Residue
P	ARG450
P	BME539

site_id	HC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE CAQ P 542

Chain	Residue
D	PRO15
D	TYR16
P	TYR408
P	HIS447
P	TRP449
P	ARG457
P	HIS460
P	TYR462
P	FE600
P	HOH815
P	HOH2033
P	HOH2094

site_id	HC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME P 543

Chain	Residue
P	ARG333
P	HOH1001

site_id	HC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 E 201

Chain	Residue
E	ASN37
E	THR105
E	HIS107
E	BME208
E	HOH2299

site_id	HC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL E 202

Chain	Residue
E	GLU168
E	THR169
E	ILE171
E	ARG184
E	ASP186
E	ARG188
E	HOH1822
E	HOH2148

site_id	IC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL E 203

Chain	Residue
E	TYR56
E	GLY60
E	ARG188
E	HOH2177

site_id	IC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME E 204

Chain	Residue
E	ALA25
E	PHE99
E	ASP100
Q	LYS411

site_id	IC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL E 205

Chain	Residue
E	ARG38
E	LEU39
E	ALA40
E	LYS41
E	ASN84
E	LEU85
E	ASN87
E	ASN90

site_id	IC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL E 206

Chain	Residue
E	LEU23
E	ASN28
E	PRO29
E	HOH1218
Q	ASN366
Q	PHE367
Q	GLY424
Q	VAL426
Q	HOH821

site_id	IC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CAQ E 207

Chain	Residue
E	PRO164
E	ARG167
E	HOH1521

site_id	IC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE BME E 208

Chain	Residue
E	TRP36
E	ASN37
E	THR95
E	ALA96
E	GLU103
E	TRP104
E	THR105
E	SO4201
E	HOH1562

site_id	IC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE Q 600

Chain	Residue
Q	CAQ6
Q	TYR408
Q	HIS447
Q	HIS460
Q	TYR462

site_id	IC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 Q 10

Chain	Residue
Q	ARG409
Q	LEU419
Q	PRO421
Q	HOH691
Q	HOH1756

site_id	IC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL Q 15

Chain	Residue
O	ASN514
O	PRO515
Q	ARG307
Q	GLN341
Q	ARG531
Q	GLU536
Q	HOH1457
Q	HOH1529

site_id	JC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL Q 1

Chain	Residue
Q	GLN503
Q	ILE505
Q	ARG522
Q	PHE523
Q	ASP524

site_id	JC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 Q 539

Chain	Residue
M	LYS390
Q	ARG383
Q	ASP434

site_id	JC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE CAQ Q 6

Chain	Residue
E	PRO15
E	TYR16
Q	TYR408
Q	HIS447
Q	TRP449
Q	ARG457
Q	HIS460
Q	TYR462
Q	FE600
Q	HOH618
Q	HOH2045

site_id	JC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL Q 540

Chain	Residue
P	SER338
P	PRO340
Q	ARG450

site_id	JC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL Q 541

Chain	Residue
Q	ARG450

site_id	JC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 F 201

Chain	Residue
F	ASN37
F	ARG38
F	THR105
F	HIS107
F	GOL203
F	HOH1200

site_id	JC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL F 202

Chain	Residue
F	GLU168
F	ILE171
F	ARG184
F	PHE185
F	ASP186

site_id	JC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL F 203

Chain	Residue
F	ASN37
F	THR95
F	ALA96
F	TRP104
F	THR105
F	SO4201
F	BME207
F	HOH2064
F	HOH2070

site_id	JC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL F 204

Chain	Residue
F	ARG38
F	LEU39
F	ALA40
F	LYS41
F	ASN84
F	LEU85
F	ASN87
F	ASN90

site_id	KC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME F 205

Chain	Residue
F	PRO29
R	ASN366
R	PHE367

site_id	KC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CAQ F 206

Chain	Residue
F	PRO164
F	ARG167
F	HOH1181

site_id	KC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE BME F 207

Chain	Residue
F	THR98
F	PHE99
F	ASP100
F	GOL203
F	HOH1149
F	HOH2074

site_id	KC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE R 600

Chain	Residue
R	CAQ1
R	TYR408
R	HIS447
R	HIS460
R	TYR462

site_id	KC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL R 15

Chain	Residue
R	GLN503
R	ILE505
R	LYS507
R	ARG522
R	PHE523
R	ASP524

site_id	KC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME R 21

Chain	Residue
R	ASN305
R	GLN530
R	LYS532

site_id	KC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL R 23

Chain	Residue
P	ILE328
R	ARG333
R	HOH1543

site_id	KC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL R 13

Chain	Residue
P	PRO515
R	ARG307
R	PRO340
R	GLN341
R	ARG531
R	GLU536
R	HOH549
R	HOH1528

site_id	KC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 R 3

Chain	Residue
R	ARG409
R	LEU419
R	PRO421
R	HOH1680

site_id	LC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE CAQ R 1

Chain	Residue
F	PRO15
F	TYR16
R	TYR408
R	HIS447
R	TRP449
R	ARG457
R	HIS460
R	TYR462
R	FE600
R	HOH750
R	HOH2037

site_id	LC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE BME R 540

Chain	Residue
R	ARG383

Functional Information from PROSITE/UniProt

site_id	PS00083
Number of Residues	29
Details	INTRADIOL_DIOXYGENAS Intradiol ring-cleavage dioxygenases signature. VaGrVvdqyGkpVpntlVEMwqanagGrY

Chain	Residue	Details
M	VAL380-TYR408
A	LEU51-TYR79

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"PubMed","id":"7990141","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 936

Chain	Residue	Details
B	THR108	metal ligand
B	ASP147	metal ligand, proton shuttle (general acid/base)
B	VAL157	electrostatic stabiliser
B	LEU160	metal ligand
B	GLU162	metal ligand

site_id	MCSA2
Number of Residues	5
Details	M-CSA 936

Chain	Residue	Details
D	THR108	metal ligand
D	ASP147	metal ligand, proton shuttle (general acid/base)
D	VAL157	electrostatic stabiliser
D	LEU160	metal ligand
D	GLU162	metal ligand

site_id	MCSA3
Number of Residues	5
Details	M-CSA 936

Chain	Residue	Details
F	THR108	metal ligand
F	ASP147	metal ligand, proton shuttle (general acid/base)
F	VAL157	electrostatic stabiliser
F	LEU160	metal ligand
F	GLU162	metal ligand

site_id	MCSA4
Number of Residues	5
Details	M-CSA 936

Chain

Residue

Details

site_id	MCSA5
Number of Residues	5
Details	M-CSA 936

Chain

Residue

Details

site_id	MCSA6
Number of Residues	5
Details	M-CSA 936

Chain

Residue

Details

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