Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1HFE

1.6 A RESOLUTION STRUCTURE OF THE FE-ONLY HYDROGENASE FROM DESULFOVIBRIO DESULFURICANS

Functional Information from GO Data

Chain	GOid	namespace	contents
L	0005506	molecular_function	iron ion binding
L	0008901	molecular_function	ferredoxin hydrogenase activity
L	0016491	molecular_function	oxidoreductase activity
L	0042597	cellular_component	periplasmic space
L	0046872	molecular_function	metal ion binding
L	0051536	molecular_function	iron-sulfur cluster binding
L	0051539	molecular_function	4 iron, 4 sulfur cluster binding
M	0005506	molecular_function	iron ion binding
M	0008901	molecular_function	ferredoxin hydrogenase activity
M	0016491	molecular_function	oxidoreductase activity
M	0042597	cellular_component	periplasmic space
M	0046872	molecular_function	metal ion binding
M	0051536	molecular_function	iron-sulfur cluster binding
M	0051539	molecular_function	4 iron, 4 sulfur cluster binding
S	0005506	molecular_function	iron ion binding
S	0008901	molecular_function	ferredoxin hydrogenase activity
S	0009055	molecular_function	electron transfer activity
S	0042597	cellular_component	periplasmic space
S	0051536	molecular_function	iron-sulfur cluster binding
T	0005506	molecular_function	iron ion binding
T	0008901	molecular_function	ferredoxin hydrogenase activity
T	0009055	molecular_function	electron transfer activity
T	0042597	cellular_component	periplasmic space
T	0051536	molecular_function	iron-sulfur cluster binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 L 426

Chain	Residue
L	CYS382
L	PDT425
L	FE2427
L	CYN429
L	CMO430
L	HOH433

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 L 427

Chain	Residue
L	CYN429
L	CMO431
L	HOH433
L	PDT425
L	FE2426
L	CYN428

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CYN L 428

Chain	Residue
L	PRO203
L	ILE204
L	LYS237
L	PDT425
L	FE2427
L	CMO431
L	HOH433

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE CYN L 429

Chain	Residue
L	ALA107
L	PRO108
L	ALA109
L	CYS382
L	PDT425
L	FE2426
L	FE2427
L	CMO430
L	HOH433

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 M 426

Chain	Residue
M	CYS382
M	PDT425
M	FE2427
M	CYN429
M	CMO430
M	HOH434

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 M 427

Chain	Residue
M	PDT425
M	FE2426
M	CYN428
M	CYN429
M	CMO431
M	HOH434

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CYN M 428

Chain	Residue
M	PRO203
M	ILE204
M	LYS237
M	PDT425
M	FE2427
M	CMO431
M	HOH434

site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CYN M 429

Chain	Residue
M	ALA107
M	PRO108
M	ALA109
M	CYS382
M	PDT425
M	FE2426
M	FE2427
M	CMO430

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN S 500

Chain	Residue
S	HIS82
S	ASP86
T	HIS82
T	ASP86

site_id	BC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SF4 L 422

Chain	Residue
L	CYS35
L	ILE36
L	GLY37
L	CYS38
L	ASP39
L	CYS41
L	HIS58
L	CYS76
L	GLU78
L	ILE81

site_id	BC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SF4 L 423

Chain	Residue
L	VAL28
L	CYS45
L	ILE50
L	ILE60
L	CYS66
L	ILE67
L	CYS69
L	GLY70
L	CYS72

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SF4 L 424

Chain	Residue
L	CYS179
L	PRO180
L	CYS234
L	ALA377
L	CYS378
L	CYS382
L	GLY385
L	PDT425

site_id	BC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE PDT L 425

Chain	Residue
L	CYS178
L	LYS237
L	PHE296
L	MET376
L	CYS382
L	SF4424
L	FE2426
L	FE2427
L	CYN428
L	CYN429
L	CMO430
L	CMO431

site_id	BC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE CMO L 430

Chain	Residue
L	PRO233
L	CYS234
L	LYS237
L	CYS382
L	PDT425
L	FE2426
L	CYN429
L	HOH433
L	MET232

site_id	BC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CMO L 431

Chain	Residue
L	PRO108
L	ALA149
L	PRO203
L	PHE296
L	PDT425
L	FE2427
L	CYN428
L	HOH433

site_id	BC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SF4 M 422

Chain	Residue
M	CYS35
M	ILE36
M	GLY37
M	CYS38
M	ASP39
M	CYS41
M	HIS58
M	CYS76
M	GLU78
M	ILE81

site_id	BC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SF4 M 423

Chain	Residue
M	CYS45
M	ILE50
M	ILE60
M	CYS66
M	ILE67
M	CYS69
M	GLY70
M	CYS72

site_id	BC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SF4 M 424

Chain	Residue
M	CYS179
M	PRO180
M	CYS234
M	ALA377
M	CYS378
M	CYS382
M	GLY385
M	PDT425

site_id	CC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE PDT M 425

Chain	Residue
M	CYS178
M	LYS237
M	PHE296
M	MET376
M	CYS382
M	SF4424
M	FE2426
M	FE2427
M	CYN428
M	CYN429
M	CMO430
M	CMO431

site_id	CC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE CMO M 430

Chain	Residue
M	MET232
M	PRO233
M	CYS234
M	LYS237
M	CYS382
M	PDT425
M	FE2426
M	CYN429
M	HOH434

site_id	CC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CMO M 431

Chain	Residue
M	PRO108
M	ALA149
M	PRO203
M	PHE296
M	PDT425
M	FE2427
M	CYN428
M	HOH434

site_id	CC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CYS L 432

Chain	Residue
L	THR74
L	CYS384
L	GLY385
L	GLN388
L	PRO389
L	VAL390
L	MET391
S	ARG46

site_id	CC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CYS M 433

Chain	Residue
M	THR74
M	CYS384
M	GLY385
M	GLN388
M	PRO389
M	VAL390
M	MET391
T	ARG46

Functional Information from PROSITE/UniProt

site_id	PS00198
Number of Residues	12
Details	4FE4S_FER_1 4Fe-4S ferredoxin-type iron-sulfur binding region signature. CiGCDtCSqYCP

Chain	Residue	Details
L	CYS35-PRO46
L	CYS66-PRO77

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	24
Details	BINDING: BINDING => ECO:0000269\|PubMed:10368269, ECO:0007744\|PDB:1HFE

Chain	Residue	Details
L	CYS35
L	CYS234
L	CYS378
L	CYS382
M	CYS35
M	CYS38
M	CYS41
M	CYS45
M	CYS66
M	CYS69
M	CYS72
L	CYS38
M	CYS76
M	CYS179
M	CYS234
M	CYS378
M	CYS382
L	CYS41
L	CYS45
L	CYS66
L	CYS69
L	CYS72
L	CYS76
L	CYS179

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	8
Details	M-CSA 127

Chain	Residue	Details
L	GLU156	proton acceptor, proton donor, proton relay
L	GLU159	proton acceptor, proton donor, proton relay
L	CYS178	proton acceptor, proton donor, proton relay
L	SER198	proton acceptor, proton donor, proton relay
L	LYS237	proton acceptor, proton donor, proton relay
L	GLU240	proton acceptor, proton donor, proton relay
L	GLU245	proton acceptor, proton donor, proton relay
L	CYS382	metal ligand

site_id	MCSA2
Number of Residues	8
Details	M-CSA 127

Chain	Residue	Details
M	GLU156	proton acceptor, proton donor, proton relay
M	GLU159	proton acceptor, proton donor, proton relay
M	CYS178	proton acceptor, proton donor, proton relay
M	SER198	proton acceptor, proton donor, proton relay
M	LYS237	proton acceptor, proton donor, proton relay
M	GLU240	proton acceptor, proton donor, proton relay
M	GLU245	proton acceptor, proton donor, proton relay
M	CYS382	metal ligand

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)