Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2WM2

CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) FROM ARTHROBACTER NITROGUAJACOLICUS RU61A IN COMPLEX WITH CHLORIDE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
A	0019439	biological_process	obsolete aromatic compound catabolic process
A	0050586	molecular_function	3-hydroxy-2-methylquinolin-4-one 2,4-dioxygenase activity
A	0051213	molecular_function	dioxygenase activity
B	0003824	molecular_function	catalytic activity
B	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
B	0019439	biological_process	obsolete aromatic compound catabolic process
B	0050586	molecular_function	3-hydroxy-2-methylquinolin-4-one 2,4-dioxygenase activity
B	0051213	molecular_function	dioxygenase activity
C	0003824	molecular_function	catalytic activity
C	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
C	0019439	biological_process	obsolete aromatic compound catabolic process
C	0050586	molecular_function	3-hydroxy-2-methylquinolin-4-one 2,4-dioxygenase activity
C	0051213	molecular_function	dioxygenase activity
D	0003824	molecular_function	catalytic activity
D	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
D	0019439	biological_process	obsolete aromatic compound catabolic process
D	0050586	molecular_function	3-hydroxy-2-methylquinolin-4-one 2,4-dioxygenase activity
D	0051213	molecular_function	dioxygenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 1276

Chain	Residue
A	LEU174
C	GLU267
C	THR270

site_id	AC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SRT A 1277

Chain	Residue
A	HOH2042

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 1278

Chain	Residue
A	SER232
A	TYR243
D	ASP158
D	VAL159
D	GOL1276

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 1276

Chain	Residue
B	SER101
B	HIS102
B	LEU128
B	PHE136
B	TRP160

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL C 1275

Chain	Residue
B	ALA235
C	ASP162

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 1276

Chain	Residue
C	HIS102
C	LEU128
C	PHE136
C	TRP160
C	GLN221
C	HIS251

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 1277

Chain	Residue
B	ASP165
B	HOH2039
D	LYS245
D	LEU246
D	GLY247

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 1275

Chain	Residue
A	ARG260
A	VAL263
D	LYS167
D	ARG170
D	HIS171

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 1276

Chain	Residue
A	ARG216
A	SER242
A	TYR243
A	GOL1278
D	ASP158
D	LEU161
D	ASP162
D	GLY163

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K C 1277

Chain	Residue
A	ASP158
C	ALA235
C	HIS238
C	PRO239
C	PHE241

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE K A 1279

Chain	Residue
A	ALA235
A	HIS238
A	PRO239
A	PHE241

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE K D 1277

Chain	Residue
D	ALA235
D	HIS238
D	PRO239
D	PHE241

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE K B 1278

Chain	Residue
B	ALA235
B	HIS238
B	PRO239
B	PHE241
C	HOH2025

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA D 1278

Chain	Residue
D	MET177
D	ALA178
D	TYR180
D	TRP185

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA D 1279

Chain	Residue
D	SER220
D	GLY248
D	THR250
D	PRO253
D	ASP256

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA C 1278

Chain	Residue
C	SER220
C	THR250
C	PRO253
C	ASP256

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA C 1279

Chain	Residue
C	MET177
C	ALA178
C	TYR180
C	TRP185

site_id	BC9
Number of Residues	1
Details	BINDING SITE FOR RESIDUE NA B 1279

Chain	Residue
B	HOH2019

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA C 1280

Chain	Residue
C	GLU112
C	GLY115
C	ARG213

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 1280

Chain	Residue
A	LEU161
A	HIS164
A	ARG170
C	HIS264

site_id	CC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA D 1300

Chain	Residue
A	GLY247
A	SRT1287

site_id	CC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA C 1281

Chain	Residue
C	GLY247
C	PRO249

site_id	CC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA B 1281

Chain	Residue
B	GLY247
B	SRT1284

site_id	CC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 1281

Chain	Residue
A	GLY35
A	TRP36
A	SER101
A	HIS102

site_id	CC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 1282

Chain	Residue
B	GLY35
B	TRP36

site_id	CC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL C 1282

Chain	Residue
C	SER101

site_id	CC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL D 1280

Chain	Residue
D	TRP36
D	SER101

site_id	DC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 1282

Chain	Residue
A	ILE192
A	PHE136

site_id	DC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 1283

Chain	Residue
A	TRP130
A	HOH2011

site_id	DC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL D 1302

Chain	Residue
A	ASP259
A	ARG260

site_id	DC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 1284

Chain	Residue
A	ARG121
A	HOH2018

site_id	DC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SRT A 1285

Chain	Residue
A	LYS167
A	ARG170
A	HIS171
C	ARG260
C	VAL263

site_id	DC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SRT B 1283

Chain	Residue
B	LYS167
B	ARG170
B	HIS171
D	ARG260
D	VAL263

site_id	DC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SRT C 1283

Chain	Residue
B	ARG260
B	VAL263
C	ARG170
C	HOH2050

site_id	DC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SRT A 1286

Chain	Residue
A	HIS164
A	ASP165
A	HOH2044
A	HOH2045
A	HOH2046
C	LYS245

site_id	DC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SRT B 1284

Chain	Residue
B	LYS245
B	LEU246
B	NA1281
C	HIS164
C	ASP165
C	GLU166

site_id	EC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SRT A 1287

Chain	Residue
A	LYS245
A	LEU246
A	GLY247
A	HOH2047
D	HIS164
D	ASP165
D	GLU166
D	NA1300

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton donor/acceptor => ECO:0000269\|PubMed:16187153

Chain	Residue	Details
A	HIS251
B	HIS251
C	HIS251
D	HIS251

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING:

Chain	Residue	Details
A	TRP36
D	TRP36
D	HIS100
D	TRP160
A	HIS100
A	TRP160
B	TRP36
B	HIS100
B	TRP160
C	TRP36
C	HIS100
C	TRP160

site_id	SWS_FT_FI3
Number of Residues	4
Details	SITE: Increases basicity of active site His => ECO:0000250\|UniProtKB:B1MFK2

Chain	Residue	Details
A	ASP126
B	ASP126
C	ASP126
D	ASP126

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