Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3PM5

Crystal Structure of BoxB in mixed valent state with bound benzoyl-CoA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005829	cellular_component	cytosol
A	0010124	biological_process	phenylacetate catabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0046872	molecular_function	metal ion binding
A	0051213	molecular_function	dioxygenase activity
B	0005829	cellular_component	cytosol
B	0010124	biological_process	phenylacetate catabolic process
B	0016491	molecular_function	oxidoreductase activity
B	0046872	molecular_function	metal ion binding
B	0051213	molecular_function	dioxygenase activity
C	0005829	cellular_component	cytosol
C	0010124	biological_process	phenylacetate catabolic process
C	0016491	molecular_function	oxidoreductase activity
C	0046872	molecular_function	metal ion binding
C	0051213	molecular_function	dioxygenase activity
D	0005829	cellular_component	cytosol
D	0010124	biological_process	phenylacetate catabolic process
D	0016491	molecular_function	oxidoreductase activity
D	0046872	molecular_function	metal ion binding
D	0051213	molecular_function	dioxygenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 C 482

Chain	Residue
A	TYR4
A	GLU6
A	ARG7
C	ARG106
C	ARG167
C	ASP168

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 482

Chain	Residue
A	ASN15
D	LYS344
A	ARG7
A	ASN10
A	LEU14

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 C 483

Chain	Residue
C	ASP343
C	LEU413
C	ILE414
C	SER415
D	SER107
D	ARG110

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 482

Chain	Residue
C	HOH618
D	THR420
D	HIS421
D	LYS424

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 483

Chain	Residue
A	ASP343
A	LEU413
A	ILE414
A	SER415
A	HOH637
B	SER107
B	ARG110

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 484

Chain	Residue
A	GLU178
A	ASN186
A	HOH530
B	THR420
B	HIS421
B	LYS424

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 484

Chain	Residue
C	THR420
C	LYS424
C	HOH545
D	GLU178
D	HOH518

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 485

Chain	Residue
A	ARG110
A	GLU172
A	HOH534
B	GLU416

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL C 485

Chain	Residue
C	GLU416
D	ARG110
D	HOH566

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 486

Chain	Residue
A	GLU416
B	ARG110
B	HOH624

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL D 483

Chain	Residue
C	ARG110
D	GLU416
D	HOH534

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PGO A 487

Chain	Residue
A	ARG106
A	GLY166
A	ARG167
A	ASP168

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PGO B 482

Chain	Residue
B	HIS129
B	THR133
B	HIS437
C	ARG442

site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PGO D 484

Chain	Residue
D	HIS396
D	HOH556

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PGO B 483

Chain	Residue
B	ARG442
C	HIS129
C	THR133
C	HIS437

site_id	BC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL C 486

Chain	Residue
D	PHE472
D	ASN473

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL D 485

Chain	Residue
D	ARG106
D	ARG167
D	ASP168

site_id	BC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PGE D 486

Chain	Residue
C	ASP185
D	SER202
D	PHE290
D	HIS423
D	LEU427
D	PRO428
D	ARG433
D	HOH540

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE A 1001

Chain	Residue
A	GLU120
A	GLU150
A	HIS153
A	GLU240
A	BYC1003

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE A 1002

Chain	Residue
A	GLU150
A	ASP211
A	GLU240
A	HIS243

site_id	CC3
Number of Residues	28
Details	BINDING SITE FOR RESIDUE BYC A 1003

Chain	Residue
A	LEU298
A	GLY300
A	ALA301
A	SER304
A	SER305
A	ASN306
A	TYR310
A	LYS316
A	ASN357
A	ILE399
A	HOH605
A	FE1001
B	LYS398
B	GLY400
B	ALA403
B	ASP404
B	BYC1003
A	GLN116
A	THR119
A	GLU120
A	SER123
A	GLU150
A	PHE193
A	PHE206
A	THR210
A	ASP211
A	ASP213
A	GLY214

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE B 1001

Chain	Residue
B	GLU120
B	GLU150
B	HIS153
B	GLU240
B	FE1002
B	BYC1003

site_id	CC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE B 1002

Chain	Residue
B	GLU150
B	ASP211
B	GLU240
B	HIS243
B	FE1001

site_id	CC6
Number of Residues	30
Details	BINDING SITE FOR RESIDUE BYC B 1003

Chain	Residue
A	LYS398
A	GLY400
A	ALA403
A	ASP404
A	BYC1003
B	GLN116
B	THR119
B	GLU120
B	SER123
B	GLU150
B	PHE193
B	PHE206
B	THR210
B	ASP211
B	ASP213
B	GLY214
B	LEU298
B	GLY300
B	ALA301
B	SER304
B	ASN306
B	TYR310
B	LYS316
B	ASN357
B	ILE399
B	HOH532
B	HOH591
B	HOH638
B	HOH648
B	FE1001

site_id	CC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE C 1001

Chain	Residue
C	GLU120
C	GLU150
C	HIS153
C	GLU240
C	FE1002
C	BYC1003

site_id	CC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE C 1002

Chain	Residue
C	GLU150
C	ASP211
C	GLU240
C	HIS243
C	FE1001

site_id	CC9
Number of Residues	27
Details	BINDING SITE FOR RESIDUE BYC C 1003

Chain	Residue
C	GLN116
C	THR119
C	GLU120
C	SER123
C	GLU150
C	PHE193
C	PHE206
C	THR210
C	ASP211
C	ASP213
C	GLY214
C	GLN217
C	LEU298
C	GLY300
C	ALA301
C	SER304
C	ASN306
C	TYR310
C	LYS316
C	ASN357
C	ILE399
C	HOH575
C	FE1001
D	LYS398
D	GLY400
D	ALA403
D	ASP404

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE D 1001

Chain	Residue
D	GLU120
D	GLU150
D	HIS153
D	GLU240
D	FE1002
D	BYC1003

site_id	DC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE D 1002

Chain	Residue
D	GLU150
D	ASP211
D	GLU240
D	HIS243
D	FE1001

site_id	DC3
Number of Residues	27
Details	BINDING SITE FOR RESIDUE BYC D 1003

Chain	Residue
C	LYS398
C	GLY400
C	ALA403
C	ASP404
D	GLN116
D	THR119
D	GLU120
D	SER123
D	GLU150
D	PHE193
D	PHE206
D	THR210
D	ASP211
D	ASP213
D	GLY214
D	LEU298
D	GLY300
D	ALA301
D	SER304
D	SER305
D	ASN306
D	TYR310
D	LYS316
D	ASN357
D	ILE399
D	HOH586
D	FE1001

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