Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4Z3W

Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1,5 Dienoyl-CoA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0009055	molecular_function	electron transfer activity
A	0016491	molecular_function	oxidoreductase activity
A	0016625	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, iron-sulfur protein as acceptor
A	0046872	molecular_function	metal ion binding
A	0051536	molecular_function	iron-sulfur cluster binding
A	0051539	molecular_function	4 iron, 4 sulfur cluster binding
B	0009055	molecular_function	electron transfer activity
B	0016491	molecular_function	oxidoreductase activity
B	0016625	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, iron-sulfur protein as acceptor
B	0046872	molecular_function	metal ion binding
B	0051536	molecular_function	iron-sulfur cluster binding
B	0051539	molecular_function	4 iron, 4 sulfur cluster binding
C	0009055	molecular_function	electron transfer activity
C	0016491	molecular_function	oxidoreductase activity
C	0016625	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, iron-sulfur protein as acceptor
C	0046872	molecular_function	metal ion binding
C	0051536	molecular_function	iron-sulfur cluster binding
C	0051539	molecular_function	4 iron, 4 sulfur cluster binding
D	0009055	molecular_function	electron transfer activity
D	0016491	molecular_function	oxidoreductase activity
D	0016625	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, iron-sulfur protein as acceptor
D	0046872	molecular_function	metal ion binding
D	0051536	molecular_function	iron-sulfur cluster binding
D	0051539	molecular_function	4 iron, 4 sulfur cluster binding
E	0046872	molecular_function	metal ion binding
E	0051539	molecular_function	4 iron, 4 sulfur cluster binding
F	0046872	molecular_function	metal ion binding
F	0051539	molecular_function	4 iron, 4 sulfur cluster binding
G	0046872	molecular_function	metal ion binding
G	0051539	molecular_function	4 iron, 4 sulfur cluster binding
H	0046872	molecular_function	metal ion binding
H	0051539	molecular_function	4 iron, 4 sulfur cluster binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	binding site for residue SF4 A 701

Chain	Residue
A	ASN76
A	CYS306
A	CYS534
A	ARG77
A	ARG181
A	GLY247
A	SER248
A	CYS299
A	CYS302
A	MET304
A	LYS305

site_id	AC2
Number of Residues	23
Details	binding site for residue MTE A 702

Chain	Residue
A	ARG77
A	MET94
A	MET95
A	GLY96
A	SER182
A	SER183
A	SER248
A	LYS321
A	CYS322
A	GLN459
A	ASP528
A	ASP529
A	GLN533
A	CYS534
A	ALA535
A	MTE703
A	W704
A	MG705
A	HOH807
A	HOH815
A	HOH823
A	HOH853
A	HOH866

site_id	AC3
Number of Residues	23
Details	binding site for residue MTE A 703

Chain	Residue
A	SER93
A	MET94
A	GLU178
A	SER183
A	ALA184
A	SER185
A	ARG186
A	LYS321
A	CYS322
A	PHE323
A	LEU351
A	ASP352
A	GLY353
A	PHE354
A	LYS454
A	THR458
A	GLN459
A	MTE702
A	W704
A	MG705
A	HOH807
A	HOH847
A	HOH853

site_id	AC4
Number of Residues	3
Details	binding site for residue W A 704

Chain	Residue
A	CYS322
A	MTE702
A	MTE703

site_id	AC5
Number of Residues	6
Details	binding site for residue MG A 705

Chain	Residue
A	MET94
A	SER183
A	MTE702
A	MTE703
A	HOH807
A	HOH853

site_id	AC6
Number of Residues	18
Details	binding site for residue 4KX A 707

Chain	Residue
A	PRO249
A	TRP259
A	HIS260
A	PHE323
A	LEU434
A	LEU436
A	LEU438
A	SER439
A	MET440
A	TYR445
A	THR458
A	GLU461
A	GLN466
A	ARG500
A	SER504
A	MET505
A	HOH811
A	HOH865

site_id	AC7
Number of Residues	10
Details	binding site for residue SF4 B 701

Chain	Residue
B	ASN76
B	ARG77
B	ARG181
B	GLY247
B	SER248
B	CYS299
B	CYS302
B	MET304
B	CYS306
B	CYS534

site_id	AC8
Number of Residues	20
Details	binding site for residue MTE B 702

Chain	Residue
B	SER183
B	SER248
B	LYS321
B	CYS322
B	GLN459
B	ASP528
B	ASP529
B	GLN533
B	CYS534
B	ALA535
B	MTE703
B	W704
B	MG705
B	HOH807
B	HOH821
B	ARG77
B	MET94
B	MET95
B	GLY96
B	SER182

site_id	AC9
Number of Residues	23
Details	binding site for residue MTE B 703

Chain	Residue
B	SER93
B	MET94
B	SER176
B	GLU178
B	SER183
B	ALA184
B	SER185
B	ARG186
B	LYS321
B	CYS322
B	PHE323
B	LEU351
B	ASP352
B	GLY353
B	PHE354
B	LYS454
B	THR458
B	GLN459
B	MTE702
B	W704
B	MG705
B	HOH804
B	HOH829

site_id	AD1
Number of Residues	3
Details	binding site for residue W B 704

Chain	Residue
B	CYS322
B	MTE702
B	MTE703

site_id	AD2
Number of Residues	6
Details	binding site for residue MG B 705

Chain	Residue
B	MET94
B	SER183
B	MTE702
B	MTE703
B	HOH807
B	HOH829

site_id	AD3
Number of Residues	14
Details	binding site for residue 4KX B 707

Chain	Residue
B	PRO249
B	TRP259
B	HIS260
B	LEU434
B	LEU436
B	LEU438
B	SER439
B	MET440
B	THR458
B	GLU461
B	GLN466
B	ARG500
B	SER504
B	MET505

site_id	AD4
Number of Residues	10
Details	binding site for residue SF4 C 701

Chain	Residue
C	ASN76
C	ARG77
C	ARG181
C	GLY247
C	SER248
C	CYS299
C	CYS302
C	MET304
C	CYS306
C	CYS534

site_id	AD5
Number of Residues	22
Details	binding site for residue MTE C 702

Chain	Residue
C	ARG77
C	MET94
C	MET95
C	GLY96
C	SER182
C	SER183
C	SER248
C	LYS321
C	CYS322
C	GLN459
C	ASP529
C	GLN533
C	CYS534
C	ALA535
C	MTE703
C	MG704
C	W706
C	HOH832
C	HOH837
C	HOH852
C	HOH859
C	HOH860

site_id	AD6
Number of Residues	23
Details	binding site for residue MTE C 703

Chain	Residue
C	SER93
C	MET94
C	GLU178
C	SER183
C	SER185
C	ARG186
C	LYS321
C	CYS322
C	PHE323
C	LEU351
C	ASP352
C	GLY353
C	PHE354
C	LYS454
C	THR458
C	GLN459
C	MTE702
C	MG704
C	W706
C	HOH820
C	HOH837
C	HOH848
C	HOH860

site_id	AD7
Number of Residues	6
Details	binding site for residue MG C 704

Chain	Residue
C	MET94
C	SER183
C	MTE702
C	MTE703
C	HOH837
C	HOH860

site_id	AD8
Number of Residues	3
Details	binding site for residue W C 706

Chain	Residue
C	CYS322
C	MTE702
C	MTE703

site_id	AD9
Number of Residues	17
Details	binding site for residue 4KX C 707

Chain	Residue
C	GLU251
C	TRP259
C	HIS260
C	ARG272
C	PHE323
C	LEU436
C	SER439
C	MET440
C	ASN442
C	TYR445
C	THR458
C	GLU461
C	GLN466
C	PRO499
C	ARG500
C	SER504
C	MET505

site_id	AE1
Number of Residues	11
Details	binding site for residue SF4 D 702

Chain	Residue
D	ASN76
D	ARG77
D	ARG181
D	GLY247
D	SER248
D	CYS299
D	CYS302
D	MET304
D	LYS305
D	CYS306
D	CYS534

site_id	AE2
Number of Residues	22
Details	binding site for residue MTE D 703

Chain	Residue
D	ARG77
D	MET94
D	MET95
D	GLY96
D	SER182
D	SER183
D	SER248
D	LYS321
D	CYS322
D	GLN459
D	ASP528
D	ASP529
D	GLN533
D	CYS534
D	ALA535
D	MTE704
D	W705
D	MG706
D	HOH825
D	HOH828
D	HOH836
D	HOH838

site_id	AE3
Number of Residues	24
Details	binding site for residue MTE D 704

Chain	Residue
D	SER93
D	MET94
D	GLU178
D	SER183
D	ALA184
D	SER185
D	ARG186
D	LYS321
D	CYS322
D	PHE323
D	LEU351
D	ASP352
D	GLY353
D	PHE354
D	LYS454
D	THR458
D	GLN459
D	MTE703
D	W705
D	MG706
D	HOH803
D	HOH820
D	HOH836
D	HOH838

site_id	AE4
Number of Residues	3
Details	binding site for residue W D 705

Chain	Residue
D	CYS322
D	MTE703
D	MTE704

site_id	AE5
Number of Residues	6
Details	binding site for residue MG D 706

Chain	Residue
D	MET94
D	SER183
D	MTE703
D	MTE704
D	HOH836
D	HOH838

site_id	AE6
Number of Residues	21
Details	binding site for residue 4KX D 707

Chain	Residue
D	PRO249
D	TRP259
D	HIS260
D	PHE323
D	LEU434
D	LEU436
D	LEU438
D	SER439
D	MET440
D	TYR445
D	GLU461
D	GLN466
D	ARG500
D	SER504
D	MET505
D	LYS601
D	HOH806
D	HOH844
D	HOH849
D	HOH854
D	HOH857

site_id	AE7
Number of Residues	8
Details	binding site for residue SF4 E 1001

Chain	Residue
E	CYS20
E	ASN21
E	CYS23
E	ARG24
E	ALA25
E	CYS26
E	CYS128
E	LEU133

site_id	AE8
Number of Residues	9
Details	binding site for residue SF4 E 1002

Chain	Residue
E	CYS30
E	HIS34
E	VAL49
E	TYR64
E	CYS113
E	ASP114
E	LEU115
E	CYS116
E	CYS124

site_id	AE9
Number of Residues	7
Details	binding site for residue SF4 E 1003

Chain	Residue
E	CYS73
E	CYS89
E	CYS92
E	CYS96
E	SER98
E	ARG99
F	GLU67

site_id	AF1
Number of Residues	9
Details	binding site for residue SF4 F 1001

Chain	Residue
F	CYS20
F	ASN21
F	CYS23
F	ARG24
F	CYS26
F	PRO62
F	CYS128
F	VAL130
F	LEU133

site_id	AF2
Number of Residues	7
Details	binding site for residue SF4 F 1002

Chain	Residue
F	CYS30
F	HIS34
F	TYR64
F	CYS113
F	LEU115
F	CYS116
F	CYS124

site_id	AF3
Number of Residues	7
Details	binding site for residue SF4 F 1003

Chain	Residue
E	GLU67
E	ARG93
F	CYS73
F	CYS89
F	CYS92
F	CYS96
F	ARG99

site_id	AF4
Number of Residues	7
Details	binding site for residue SF4 G 1001

Chain	Residue
G	CYS20
G	ASN21
G	CYS23
G	ARG24
G	CYS26
G	PRO62
G	CYS128

site_id	AF5
Number of Residues	9
Details	binding site for residue SF4 G 1002

Chain	Residue
G	CYS30
G	HIS34
G	VAL49
G	TYR64
G	CYS113
G	LEU115
G	CYS116
G	PRO122
G	CYS124

site_id	AF6
Number of Residues	5
Details	binding site for residue SF4 G 1003

Chain	Residue
G	CYS73
G	CYS89
G	CYS92
G	CYS96
G	ARG99

site_id	AF7
Number of Residues	8
Details	binding site for residue SF4 H 1001

Chain	Residue
H	CYS20
H	ASN21
H	CYS23
H	ARG24
H	CYS26
H	PRO62
H	CYS128
H	LEU133

site_id	AF8
Number of Residues	10
Details	binding site for residue SF4 H 1002

Chain	Residue
H	CYS30
H	HIS34
H	VAL49
H	TYR64
H	CYS113
H	ASP114
H	LEU115
H	CYS116
H	PRO122
H	CYS124

site_id	AF9
Number of Residues	8
Details	binding site for residue SF4 H 1003

Chain	Residue
G	GLU67
G	ARG93
H	CYS73
H	CYS89
H	CYS92
H	CYS96
H	SER98
H	ARG99

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