Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4TKV

CO-bound Nitrogenase MoFe-protein from A. 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	17
Details	binding site for residue HCA A 501

Chain	Residue
A	ALA65
A	HOH667
A	HOH672
A	HOH754
A	HOH776
A	HOH780
A	HOH804
B	HOH773
B	HOH892
A	ARG96
A	GLN191
A	GLY424
A	ILE425
A	HIS442
A	ICE502
A	HOH614
A	HOH655

site_id	AC2
Number of Residues	11
Details	binding site for residue ICE A 502

Chain	Residue
A	VAL70
A	ARG96
A	TYR229
A	CYS275
A	GLY356
A	GLY357
A	LEU358
A	ARG359
A	HIS442
A	HCA501
A	CMO504

site_id	AC3
Number of Residues	2
Details	binding site for residue IMD A 503

Chain	Residue
A	TRP294
A	HOH791

site_id	AC4
Number of Residues	4
Details	binding site for residue CMO A 504

Chain	Residue
A	VAL70
A	HIS195
A	PHE381
A	ICE502

site_id	AC5
Number of Residues	6
Details	binding site for residue CMO A 505

Chain	Residue
A	TYR100
A	THR111
A	HOH604
A	HOH605
B	ARG453
B	HOH707

site_id	AC6
Number of Residues	5
Details	binding site for residue ICE A 506

Chain	Residue
A	ARG93
A	THR111
B	PHE450
B	ARG453
B	HOH1063

site_id	AC7
Number of Residues	13
Details	binding site for residue CLF A 507

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

site_id	AC8
Number of Residues	6
Details	binding site for residue IMD B 601

Chain	Residue
B	LEU253
B	ASP256
B	GLY275
B	THR276
B	GLU280
B	HOH916

site_id	AC9
Number of Residues	5
Details	binding site for residue IMD B 602

Chain	Residue
B	SER482
B	THR483
B	GLN492
B	THR496
B	HOH771

site_id	AD1
Number of Residues	5
Details	binding site for residue IMD B 603

Chain	Residue
A	GLY157
B	GLU120
B	ALA123
C	GLN41
C	LYS44

site_id	AD2
Number of Residues	4
Details	binding site for residue CMO B 604

Chain	Residue
B	LEU466
B	ARG468
B	HOH703
B	HOH955

site_id	AD3
Number of Residues	6
Details	binding site for residue FE2 B 605

Chain	Residue
B	ASP353
B	ASP357
B	HOH803
D	ARG108
D	GLU109
D	HOH966

site_id	AD4
Number of Residues	6
Details	binding site for residue FE2 B 606

Chain	Residue
B	ARG108
B	GLU109
B	HOH987
D	ASP353
D	ASP357
D	HOH736

site_id	AD5
Number of Residues	17
Details	binding site for residue HCA C 501

Chain	Residue
C	HOH676
C	HOH701
C	HOH704
C	HOH832
C	HOH843
C	HOH851
D	HOH758
D	HOH890
C	ALA65
C	ARG96
C	GLN191
C	GLY424
C	ILE425
C	HIS442
C	ICE502
C	HOH608
C	HOH647

site_id	AD6
Number of Residues	11
Details	binding site for residue ICE C 502

Chain	Residue
C	VAL70
C	ARG96
C	TYR229
C	CYS275
C	GLY356
C	GLY357
C	LEU358
C	ARG359
C	HIS442
C	HCA501
C	CMO504

site_id	AD7
Number of Residues	3
Details	binding site for residue IMD C 503

Chain	Residue
C	TRP294
C	HOH605
C	HOH831

site_id	AD8
Number of Residues	4
Details	binding site for residue CMO C 504

Chain	Residue
C	VAL70
C	HIS195
C	PHE381
C	ICE502

site_id	AD9
Number of Residues	7
Details	binding site for residue CMO C 505

Chain	Residue
C	TYR100
C	THR104
C	THR111
C	HOH602
C	HOH649
D	ARG453
D	HOH704

site_id	AE1
Number of Residues	5
Details	binding site for residue ICE C 506

Chain	Residue
C	ARG93
C	THR111
D	PHE450
D	ARG453
D	HOH1063

site_id	AE2
Number of Residues	14
Details	binding site for residue CLF C 507

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	AE3
Number of Residues	5
Details	binding site for residue IMD D 601

Chain	Residue
D	SER482
D	THR483
D	GLN492
D	THR496
D	HOH748

site_id	AE4
Number of Residues	5
Details	binding site for residue IMD D 602

Chain	Residue
D	LEU253
D	ASP256
D	GLY275
D	THR276
D	GLU280

site_id	AE5
Number of Residues	4
Details	binding site for residue IMD D 603

Chain	Residue
A	GLN41
A	LYS44
C	GLY157
D	GLU120

site_id	AE6
Number of Residues	5
Details	binding site for residue CMO D 604

Chain	Residue
D	LEU466
D	ILE467
D	ARG468
D	HOH701
D	HOH856

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	SER152-VAL166
B	THR151-PHE165

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

Chain	Residue	Details
A	ILE81-CYS88
B	TYR88-CYS95

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)