Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6VXT

Activated Nitrogenase MoFe-protein from Azotobacter vinelandii

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0005524	molecular_function	ATP binding
A	0009399	biological_process	nitrogen fixation
A	0016163	molecular_function	nitrogenase activity
A	0016491	molecular_function	oxidoreductase activity
A	0016612	cellular_component	molybdenum-iron nitrogenase complex
A	0046872	molecular_function	metal ion binding
A	0051536	molecular_function	iron-sulfur cluster binding
B	0000166	molecular_function	nucleotide binding
B	0005524	molecular_function	ATP binding
B	0009399	biological_process	nitrogen fixation
B	0016163	molecular_function	nitrogenase activity
B	0016491	molecular_function	oxidoreductase activity
B	0016612	cellular_component	molybdenum-iron nitrogenase complex
B	0046872	molecular_function	metal ion binding
B	0051536	molecular_function	iron-sulfur cluster binding
C	0000166	molecular_function	nucleotide binding
C	0005524	molecular_function	ATP binding
C	0009399	biological_process	nitrogen fixation
C	0016163	molecular_function	nitrogenase activity
C	0016491	molecular_function	oxidoreductase activity
C	0016612	cellular_component	molybdenum-iron nitrogenase complex
C	0046872	molecular_function	metal ion binding
C	0051536	molecular_function	iron-sulfur cluster binding
D	0000166	molecular_function	nucleotide binding
D	0005524	molecular_function	ATP binding
D	0009399	biological_process	nitrogen fixation
D	0016163	molecular_function	nitrogenase activity
D	0016491	molecular_function	oxidoreductase activity
D	0016612	cellular_component	molybdenum-iron nitrogenase complex
D	0046872	molecular_function	metal ion binding
D	0051536	molecular_function	iron-sulfur cluster binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	binding site for residue HCA A 601

Chain	Residue
A	ALA65
A	HOH768
A	HOH811
A	HOH876
A	HOH886
B	HOH716
B	HOH769
B	HOH865
A	GLN191
A	GLY424
A	ILE425
A	HIS442
A	ICS602
A	HOH721
A	HOH732
A	HOH735

site_id	AC2
Number of Residues	12
Details	binding site for residue ICS A 602

Chain	Residue
A	VAL70
A	ARG96
A	HIS195
A	TYR229
A	CYS275
A	GLY356
A	GLY357
A	LEU358
A	ARG359
A	PHE381
A	HIS442
A	HCA601

site_id	AC3
Number of Residues	3
Details	binding site for residue MO A 603

Chain	Residue
A	ASN29
A	LEU32
A	CYS45

site_id	AC4
Number of Residues	1
Details	binding site for residue MO A 604

Chain	Residue
A	TRP294

site_id	AC5
Number of Residues	6
Details	binding site for residue H2S A 605

Chain	Residue
A	ARG93
A	THR104
A	THR111
B	PHE450
B	ARG453
B	HOH989

site_id	AC6
Number of Residues	3
Details	binding site for residue MO A 606

Chain	Residue
A	PRO37
A	VAL39
D	HOH733

site_id	AC7
Number of Residues	1
Details	binding site for residue MO A 607

Chain	Residue
A	ASP204

site_id	AC8
Number of Residues	15
Details	binding site for residue CLF A 608

Chain	Residue
A	CYS62
A	TYR64
A	PRO85
A	GLY87
A	CYS88
A	TYR91
A	CYS154
A	GLY185
B	CYS70
B	SER92
B	CYS95
B	TYR98
B	THR152
B	CYS153
B	SER188

site_id	AC9
Number of Residues	7
Details	binding site for residue FE B 601

Chain	Residue
B	ASP353
B	ASP357
C	PHE429
C	LYS433
C	HOH892
D	ARG108
D	GLU109

site_id	AD1
Number of Residues	6
Details	binding site for residue GOL B 602

Chain	Residue
B	PHE230
B	GLU231
B	THR232
B	TYR233
B	PHE471
B	HOH766

site_id	AD2
Number of Residues	7
Details	binding site for residue GOL B 603

Chain	Residue
B	THR360
B	TRP361
B	HOH951
C	ASP445
C	TYR446
C	ARG461
C	HOH841

site_id	AD3
Number of Residues	8
Details	binding site for residue GOL B 604

Chain	Residue
B	ARG59
B	GLU60
B	ALA61
B	LEU62
B	GLY424
B	HOH727
B	HOH733
B	HOH773

site_id	AD4
Number of Residues	4
Details	binding site for residue GOL B 605

Chain	Residue
B	GLN513
B	ALA514
B	HOH973
D	PHE15

site_id	AD5
Number of Residues	5
Details	binding site for residue FE B 606

Chain	Residue
A	PHE429
A	HOH921
B	ARG108
D	ASP353
D	ASP357

site_id	AD6
Number of Residues	16
Details	binding site for residue HCA C 601

Chain	Residue
C	ICS602
C	HOH744
C	HOH750
C	HOH770
C	HOH801
C	HOH803
C	HOH813
C	HOH840
C	HOH861
D	HOH727
D	HOH793
C	ALA65
C	GLN191
C	GLY424
C	ILE425
C	HIS442

site_id	AD7
Number of Residues	12
Details	binding site for residue ICS C 602

Chain	Residue
C	VAL70
C	ARG96
C	HIS195
C	TYR229
C	CYS275
C	GLY356
C	GLY357
C	LEU358
C	ARG359
C	PHE381
C	HIS442
C	HCA601

site_id	AD8
Number of Residues	3
Details	binding site for residue MO C 603

Chain	Residue
C	ASN29
C	LEU32
C	CYS45

site_id	AD9
Number of Residues	1
Details	binding site for residue MO C 604

Chain	Residue
C	TRP294

site_id	AE1
Number of Residues	4
Details	binding site for residue MO C 605

Chain	Residue
B	VAL124
B	HOH712
C	PRO37
C	VAL39

site_id	AE2
Number of Residues	3
Details	binding site for residue MO C 606

Chain	Residue
C	ASP204
C	TRP205
C	HOH940

site_id	AE3
Number of Residues	14
Details	binding site for residue CLF C 607

Chain	Residue
C	CYS62
C	TYR64
C	PRO85
C	GLY87
C	CYS88
C	TYR91
C	CYS154
C	GLY185
D	CYS70
D	SER92
D	CYS95
D	TYR98
D	CYS153
D	SER188

site_id	AE4
Number of Residues	6
Details	binding site for residue H2S D 601

Chain	Residue
C	ARG93
C	THR104
C	THR111
D	PHE450
D	ARG453
D	HOH960

site_id	AE5
Number of Residues	6
Details	binding site for residue GOL D 602

Chain	Residue
D	PRO182
D	PHE183
D	GLY203
D	ARG206
D	TYR207
D	HOH786

site_id	AE6
Number of Residues	8
Details	binding site for residue GOL D 603

Chain	Residue
D	PHE230
D	GLU231
D	THR232
D	TYR233
D	PHE375
D	PHE471
D	HOH729
D	HOH844

site_id	AE7
Number of Residues	8
Details	binding site for residue GOL D 604

Chain	Residue
A	ASP445
A	ARG461
A	MET465
A	HOH825
A	HOH835
B	ALA10
D	THR360
D	TRP361

Functional Information from PROSITE/UniProt

site_id	PS00699
Number of Residues	8
Details	NITROGENASE_1_1 Nitrogenases component 1 alpha and beta subunits signature 1. YVHGSQGC

Chain	Residue	Details
B	TYR88-CYS95
A	ILE81-CYS88

site_id	PS00090
Number of Residues	15
Details	NITROGENASE_1_2 Nitrogenases component 1 alpha and beta subunits signature 2. TTCmaeviGDDLnAF

Chain	Residue	Details
B	THR151-PHE165
A	SER152-VAL166

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	18
Details	Binding site: {}

Chain

Residue

Details

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	2
Details	M-CSA 212

Chain	Residue	Details
B	CYS153	metal ligand
B	VAL157	polar interaction, single electron acceptor, single electron donor, single electron relay
A	ARG96	activator, hydrogen bond donor
A	HIS195	activator, polar interaction

site_id	MCSA2
Number of Residues	2
Details	M-CSA 212

Chain	Residue	Details
D	CYS153	metal ligand
D	VAL157	polar interaction, single electron acceptor, single electron donor, single electron relay
C	ARG96	activator, hydrogen bond donor
C	HIS195	activator, polar interaction

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