Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6UG0

N2-bound Nitrogenase MoFe-protein from Azotobacter vinelandii

Functional Information from GO Data

Chain	GOid	namespace	contents
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	0018697	molecular_function	carbonyl sulfide nitrogenase activity
A	0046872	molecular_function	metal ion binding
A	0051536	molecular_function	iron-sulfur cluster 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	0018697	molecular_function	carbonyl sulfide nitrogenase activity
B	0046872	molecular_function	metal ion binding
B	0051536	molecular_function	iron-sulfur cluster 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	0018697	molecular_function	carbonyl sulfide nitrogenase activity
C	0046872	molecular_function	metal ion binding
C	0051536	molecular_function	iron-sulfur cluster 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	0018697	molecular_function	carbonyl sulfide nitrogenase activity
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 601

Chain	Residue
A	ALA65
A	HOH759
A	HOH762
A	HOH764
A	HOH769
A	HOH774
A	HOH777
A	HOH781
B	HOH823
A	ARG96
A	GLN191
A	GLY424
A	ILE425
A	HIS442
A	ICE602
A	HOH707
A	HOH719

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

Chain	Residue
A	VAL70
A	ARG96
A	TYR229
A	CYS275
A	ILE355
A	GLY356
A	GLY357
A	LEU358
A	ARG359
A	HIS442
A	HCA601
A	HDZ603

site_id	AC3
Number of Residues	4
Details	binding site for residue HDZ A 603

Chain	Residue
A	VAL70
A	HIS195
A	PHE381
A	ICE602

site_id	AC4
Number of Residues	1
Details	binding site for residue H2S A 604

Chain	Residue
A	ASP204

site_id	AC5
Number of Residues	3
Details	binding site for residue MO A 605

Chain	Residue
A	TRP294
A	HOH706
A	HOH806

site_id	AC6
Number of Residues	5
Details	binding site for residue MO A 606

Chain	Residue
A	ASN29
A	LEU32
A	CYS45
A	HOH736
A	HOH753

site_id	AC7
Number of Residues	2
Details	binding site for residue MO A 607

Chain	Residue
A	PRO37
A	VAL39

site_id	AC8
Number of Residues	14
Details	binding site for residue 1CL A 608

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

site_id	AC9
Number of Residues	5
Details	binding site for residue H2S B 601

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

site_id	AD1
Number of Residues	1
Details	binding site for residue H2S B 602

Chain	Residue
B	TYR251

site_id	AD2
Number of Residues	3
Details	binding site for residue MO B 603

Chain	Residue
B	GLU258
B	GLU259
B	HOH837

site_id	AD3
Number of Residues	6
Details	binding site for residue FE B 604

Chain	Residue
B	ASP353
B	ASP357
B	HOH712
D	ARG108
D	GLU109
D	HOH720

site_id	AD4
Number of Residues	8
Details	binding site for residue GOL B 605

Chain	Residue
B	PHE230
B	GLU231
B	THR232
B	PHE375
B	GLY470
B	PHE471
B	HOH719
B	HOH795

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

Chain	Residue
B	GLU347
B	ARG350
B	GLU488
B	GLN492
D	ARG481

site_id	AD6
Number of Residues	6
Details	binding site for residue FE B 607

Chain	Residue
B	ARG108
B	GLU109
B	HOH701
B	HOH733
D	ASP353
D	ASP357

site_id	AD7
Number of Residues	8
Details	binding site for residue GOL C 501

Chain	Residue
C	HOH690
B	THR360
B	TRP361
C	ASP445
C	TYR446
C	ARG461
C	MET465
C	HOH640

site_id	AD8
Number of Residues	15
Details	binding site for residue HCA C 502

Chain	Residue
C	ALA65
C	GLN191
C	GLY424
C	ILE425
C	HIS442
C	ICZ503
C	HOH608
C	HOH645
C	HOH649
C	HOH666
C	HOH675
C	HOH688
C	HOH723
D	GOL602
D	HOH792

site_id	AD9
Number of Residues	13
Details	binding site for residue ICZ C 503

Chain	Residue
C	VAL70
C	ARG96
C	HIS195
C	TYR229
C	CYS275
C	GLY356
C	GLY357
C	ARG359
C	PHE381
C	HIS442
C	HCA502
C	HDZ504
C	HDZ511

site_id	AE1
Number of Residues	6
Details	binding site for residue HDZ C 504

Chain	Residue
C	ILE355
C	GLY356
C	GLY357
C	LEU358
C	ARG359
C	ICZ503

site_id	AE2
Number of Residues	2
Details	binding site for residue H2S C 505

Chain	Residue
C	ASP204
C	TRP205

site_id	AE3
Number of Residues	5
Details	binding site for residue H2S C 506

Chain	Residue
C	ARG93
C	THR111
D	PHE450
D	ARG453
D	HOH912

site_id	AE4
Number of Residues	4
Details	binding site for residue MO C 507

Chain	Residue
C	TRP294
C	HOH771
C	HOH775
C	HOH802

site_id	AE5
Number of Residues	4
Details	binding site for residue MO C 508

Chain	Residue
C	ASN29
C	LEU32
C	CYS45
C	HOH647

site_id	AE6
Number of Residues	3
Details	binding site for residue MO C 509

Chain	Residue
C	PRO37
C	VAL39
D	HOH723

site_id	AE7
Number of Residues	1
Details	binding site for residue GOL C 510

Chain	Residue
C	LYS129

site_id	AE8
Number of Residues	4
Details	binding site for residue HDZ C 511

Chain	Residue
C	ARG96
C	ILE231
C	ICZ503
C	HOH757

site_id	AE9
Number of Residues	14
Details	binding site for residue 1CL C 512

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	AF1
Number of Residues	5
Details	binding site for residue GOL D 601

Chain	Residue
A	ILE101
B	PHE15
B	LEU16
D	GLN513
D	ALA514

site_id	AF2
Number of Residues	8
Details	binding site for residue GOL D 602

Chain	Residue
C	TYR91
C	SER92
C	GLY95
C	ARG96
C	HCA502
D	ARG105
D	HOH792
D	HOH802

site_id	AF3
Number of Residues	1
Details	binding site for residue H2S D 603

Chain	Residue
D	TYR251

site_id	AF4
Number of Residues	2
Details	binding site for residue MO D 604

Chain	Residue
D	GLU258
D	GLU259

site_id	AF5
Number of Residues	9
Details	binding site for residue GOL D 605

Chain	Residue
D	PHE230
D	GLU231
D	THR232
D	TYR233
D	PHE375
D	GLY470
D	PHE471
D	HOH749
D	HOH867

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
A	SER152-VAL166
B	THR151-PHE165

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING:

Chain	Residue	Details
D	CYS70
D	CYS95
D	CYS153
D	SER188
C	CYS275
C	HIS442
B	CYS70
B	CYS95
B	CYS153
B	SER188

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)