Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2AFI

Crystal Structure of MgADP bound Av2-Av1 Complex

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
E	0005524	molecular_function	ATP binding
E	0009399	biological_process	nitrogen fixation
E	0016163	molecular_function	nitrogenase activity
E	0016491	molecular_function	oxidoreductase activity
E	0018697	molecular_function	carbonyl sulfide nitrogenase activity
E	0046872	molecular_function	metal ion binding
E	0051539	molecular_function	4 iron, 4 sulfur cluster binding
F	0005524	molecular_function	ATP binding
F	0009399	biological_process	nitrogen fixation
F	0016163	molecular_function	nitrogenase activity
F	0016491	molecular_function	oxidoreductase activity
F	0018697	molecular_function	carbonyl sulfide nitrogenase activity
F	0046872	molecular_function	metal ion binding
F	0051539	molecular_function	4 iron, 4 sulfur cluster binding
G	0005524	molecular_function	ATP binding
G	0009399	biological_process	nitrogen fixation
G	0016163	molecular_function	nitrogenase activity
G	0016491	molecular_function	oxidoreductase activity
G	0018697	molecular_function	carbonyl sulfide nitrogenase activity
G	0046872	molecular_function	metal ion binding
G	0051539	molecular_function	4 iron, 4 sulfur cluster binding
H	0005524	molecular_function	ATP binding
H	0009399	biological_process	nitrogen fixation
H	0016163	molecular_function	nitrogenase activity
H	0016491	molecular_function	oxidoreductase activity
H	0018697	molecular_function	carbonyl sulfide nitrogenase activity
H	0046872	molecular_function	metal ion binding
H	0051539	molecular_function	4 iron, 4 sulfur cluster binding
I	0005524	molecular_function	ATP binding
I	0009399	biological_process	nitrogen fixation
I	0016163	molecular_function	nitrogenase activity
I	0016491	molecular_function	oxidoreductase activity
I	0016612	cellular_component	molybdenum-iron nitrogenase complex
I	0018697	molecular_function	carbonyl sulfide nitrogenase activity
I	0046872	molecular_function	metal ion binding
I	0051536	molecular_function	iron-sulfur cluster binding
J	0005524	molecular_function	ATP binding
J	0009399	biological_process	nitrogen fixation
J	0016163	molecular_function	nitrogenase activity
J	0016491	molecular_function	oxidoreductase activity
J	0016612	cellular_component	molybdenum-iron nitrogenase complex
J	0018697	molecular_function	carbonyl sulfide nitrogenase activity
J	0046872	molecular_function	metal ion binding
J	0051536	molecular_function	iron-sulfur cluster binding
K	0005524	molecular_function	ATP binding
K	0009399	biological_process	nitrogen fixation
K	0016163	molecular_function	nitrogenase activity
K	0016491	molecular_function	oxidoreductase activity
K	0016612	cellular_component	molybdenum-iron nitrogenase complex
K	0018697	molecular_function	carbonyl sulfide nitrogenase activity
K	0046872	molecular_function	metal ion binding
K	0051536	molecular_function	iron-sulfur cluster binding
L	0005524	molecular_function	ATP binding
L	0009399	biological_process	nitrogen fixation
L	0016163	molecular_function	nitrogenase activity
L	0016491	molecular_function	oxidoreductase activity
L	0016612	cellular_component	molybdenum-iron nitrogenase complex
L	0018697	molecular_function	carbonyl sulfide nitrogenase activity
L	0046872	molecular_function	metal ion binding
L	0051536	molecular_function	iron-sulfur cluster binding
M	0005524	molecular_function	ATP binding
M	0009399	biological_process	nitrogen fixation
M	0016163	molecular_function	nitrogenase activity
M	0016491	molecular_function	oxidoreductase activity
M	0018697	molecular_function	carbonyl sulfide nitrogenase activity
M	0046872	molecular_function	metal ion binding
M	0051539	molecular_function	4 iron, 4 sulfur cluster binding
N	0005524	molecular_function	ATP binding
N	0009399	biological_process	nitrogen fixation
N	0016163	molecular_function	nitrogenase activity
N	0016491	molecular_function	oxidoreductase activity
N	0018697	molecular_function	carbonyl sulfide nitrogenase activity
N	0046872	molecular_function	metal ion binding
N	0051539	molecular_function	4 iron, 4 sulfur cluster binding
O	0005524	molecular_function	ATP binding
O	0009399	biological_process	nitrogen fixation
O	0016163	molecular_function	nitrogenase activity
O	0016491	molecular_function	oxidoreductase activity
O	0018697	molecular_function	carbonyl sulfide nitrogenase activity
O	0046872	molecular_function	metal ion binding
O	0051539	molecular_function	4 iron, 4 sulfur cluster binding
P	0005524	molecular_function	ATP binding
P	0009399	biological_process	nitrogen fixation
P	0016163	molecular_function	nitrogenase activity
P	0016491	molecular_function	oxidoreductase activity
P	0018697	molecular_function	carbonyl sulfide nitrogenase activity
P	0046872	molecular_function	metal ion binding
P	0051539	molecular_function	4 iron, 4 sulfur cluster binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 2492

Chain	Residue
B	ARG108
B	GLU109
B	HOH9000
D	ASP353
D	ASP357
D	HOH9001

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 4492

Chain	Residue
D	ARG108
D	GLU109
D	HOH9002
B	ASP353
B	ASP357
B	HOH9003

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG E 1291

Chain	Residue
E	SER16
E	ASP43
E	ADP1292

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG F 2291

Chain	Residue
F	SER16
F	ASP43
F	ADP2292

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG G 3291

Chain	Residue
G	SER16
G	ASP39
G	ASP43
G	ASP125
G	ADP3292

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG H 4291

Chain	Residue
H	SER16
H	ADP4292

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA L 6492

Chain	Residue
J	ARG108
J	GLU109
J	HOH9004
L	ASP353
L	ASP357
L	HOH9005

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA J 8492

Chain	Residue
J	ASP353
J	ASP357
J	HOH9007
L	ARG108
L	GLU109
L	HOH9006

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG M 5291

Chain	Residue
M	SER16
M	ADP5292

site_id	BC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG N 6291

Chain	Residue
N	ASP43
N	ADP6292

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG O 7291

Chain	Residue
O	SER16
O	ASP43
O	ADP7292

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG P 8291

Chain	Residue
P	SER16
P	ASP125
P	ADP8292

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE HCA A 494

Chain	Residue
A	ALA65
A	GLN191
A	GLY424
A	ILE425
A	HIS442
A	CFN496

site_id	BC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE CFN A 496

Chain	Residue
A	VAL70
A	ARG96
A	HIS195
A	TYR229
A	CYS275
A	GLY357
A	LEU358
A	ARG359
A	PHE381
A	HIS442
A	HCA494

site_id	BC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE CLF B 1498

Chain	Residue
A	CYS62
A	PRO85
A	CYS88
A	TYR91
A	CYS154
A	GLY185
B	CYS70
B	SER92
B	GLY94
B	CYS95
B	TYR98
B	CYS153
B	SER188

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE HCA C 494

Chain	Residue
C	ALA65
C	GLN191
C	GLY424
C	ILE425
C	HIS442
C	CFN496

site_id	BC8
Number of Residues	11
Details	BINDING SITE FOR RESIDUE CFN C 496

Chain	Residue
C	ARG96
C	HIS195
C	TYR229
C	CYS275
C	ILE355
C	GLY357
C	LEU358
C	ARG359
C	PHE381
C	HIS442
C	HCA494

site_id	BC9
Number of Residues	13
Details	BINDING SITE FOR RESIDUE CLF D 3498

Chain	Residue
C	GLY185
D	CYS70
D	SER92
D	CYS95
D	TYR98
D	THR152
D	CYS153
D	SER188
C	CYS62
C	PRO85
C	CYS88
C	TYR91
C	CYS154

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SF4 F 1290

Chain	Residue
E	CYS97
E	CYS132
F	CYS97
F	ALA98
F	GLY99
F	CYS132

site_id	CC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE ADP E 1292

Chain	Residue
E	LYS10
E	GLY11
E	GLY12
E	ILE13
E	GLY14
E	LYS15
E	SER16
E	THR17
E	PRO212
E	ASP214
E	VAL217
E	GLN218
E	GLU221
E	MG1291
F	MET156

site_id	CC3
Number of Residues	17
Details	BINDING SITE FOR RESIDUE ADP F 2292

Chain	Residue
E	MET156
F	GLY11
F	GLY12
F	ILE13
F	GLY14
F	LYS15
F	SER16
F	THR17
F	LYS41
F	ASN185
F	VAL211
F	PRO212
F	ARG213
F	ASP214
F	VAL217
F	TYR240
F	MG2291

site_id	CC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SF4 G 3290

Chain	Residue
G	ALA98
G	GLY99
G	CYS132
G	GLY134
H	CYS97
H	CYS132
H	PHE135

site_id	CC5
Number of Residues	15
Details	BINDING SITE FOR RESIDUE ADP G 3292

Chain	Residue
G	LYS10
G	GLY11
G	GLY12
G	ILE13
G	GLY14
G	LYS15
G	SER16
G	THR17
G	ASN185
G	VAL211
G	PRO212
G	ARG213
G	ASP214
G	GLU221
G	MG3291

site_id	CC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ADP H 4292

Chain	Residue
H	GLY12
H	ILE13
H	GLY14
H	LYS15
H	SER16
H	THR17
H	MG4291

site_id	CC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE HCA I 494

Chain	Residue
I	ALA65
I	GLN191
I	GLY424
I	ILE425
I	HIS442
I	CFN496

site_id	CC8
Number of Residues	12
Details	BINDING SITE FOR RESIDUE CFN I 496

Chain	Residue
I	VAL70
I	ARG96
I	HIS195
I	TYR229
I	CYS275
I	ILE355
I	GLY357
I	LEU358
I	ARG359
I	PHE381
I	HIS442
I	HCA494

site_id	CC9
Number of Residues	13
Details	BINDING SITE FOR RESIDUE CLF J 5498

Chain	Residue
I	CYS62
I	PRO85
I	CYS88
I	TYR91
I	CYS154
I	GLY185
J	CYS70
J	SER92
J	GLY94
J	CYS95
J	TYR98
J	CYS153
J	SER188

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE HCA K 494

Chain	Residue
K	ALA65
K	GLN191
K	GLY424
K	ILE425
K	HIS442
K	CFN496

site_id	DC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE CFN K 496

Chain	Residue
K	VAL70
K	ARG96
K	HIS195
K	TYR229
K	CYS275
K	ILE355
K	GLY357
K	LEU358
K	ARG359
K	PHE381
K	HIS442
K	HCA494

site_id	DC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE CLF L 7498

Chain	Residue
K	CYS62
K	PRO85
K	CYS88
K	TYR91
K	CYS154
K	GLY185
L	CYS70
L	SER92
L	GLY94
L	CYS95
L	TYR98
L	THR152
L	CYS153
L	SER188

site_id	DC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SF4 N 5290

Chain	Residue
M	CYS97
M	ALA98
M	CYS132
N	CYS97
N	CYS132

site_id	DC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE ADP M 5292

Chain	Residue
M	GLY12
M	GLY14
M	LYS15
M	SER16
M	THR17
M	ASN185
M	VAL211
M	PRO212
M	ARG213
M	ASP214
M	TYR240
M	MG5291

site_id	DC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ADP N 6292

Chain	Residue
N	GLY12
N	GLY14
N	LYS15
N	SER16
N	THR17
N	MG6291

site_id	DC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SF4 P 7290

Chain	Residue
O	CYS97
O	ALA98
O	CYS132
P	CYS97
P	ALA98
P	CYS132
P	GLY134
P	PHE135

site_id	DC8
Number of Residues	14
Details	BINDING SITE FOR RESIDUE ADP O 7292

Chain	Residue
O	LYS10
O	GLY11
O	GLY12
O	ILE13
O	GLY14
O	LYS15
O	SER16
O	THR17
O	ASP43
O	ASN185
O	ARG213
O	ASP214
O	TYR240
O	MG7291

site_id	DC9
Number of Residues	10
Details	BINDING SITE FOR RESIDUE ADP P 8292

Chain	Residue
O	MET156
P	GLY12
P	ILE13
P	GLY14
P	LYS15
P	SER16
P	THR17
P	PRO212
P	ASP214
P	MG8291

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
A	ILE81-CYS88
B	TYR88-CYS95

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

site_id	PS00692
Number of Residues	14
Details	NIFH_FRXC_2 NifH/frxC family signature 2. DvLGDVVCGGFAmP

Chain	Residue	Details
E	ASP125-PRO138

site_id	PS00746
Number of Residues	13
Details	NIFH_FRXC_1 NifH/frxC family signature 1. EsGGPepGvGCAG

Chain	Residue	Details
E	GLU87-GLY99

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	24
Details	BINDING:

Chain	Residue	Details
N	ALA98
N	GLY133
O	LYS10
O	ALA98
O	GLY133
P	LYS10
P	ALA98
P	GLY133
E	LYS10
E	ALA98
E	GLY133
F	LYS10
F	ALA98
F	GLY133
G	LYS10
G	ALA98
G	GLY133
H	LYS10
H	ALA98
H	GLY133
M	LYS10
M	ALA98
M	GLY133
N	LYS10

site_id	SWS_FT_FI2
Number of Residues	8
Details	MOD_RES: ADP-ribosylarginine; by dinitrogenase reductase ADP-ribosyltransferase => ECO:0000250

Chain	Residue	Details
E	GLY101
F	GLY101
G	GLY101
H	GLY101
M	GLY101
N	GLY101
O	GLY101
P	GLY101

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 212

Chain	Residue	Details
E	GLY11	electrostatic stabiliser, hydrogen bond donor
E	SER16	electrostatic stabiliser, hydrogen bond donor
E	ALA42	electrostatic stabiliser, hydrogen bond donor
E	VAL130	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_id	MCSA2
Number of Residues	4
Details	M-CSA 212

Chain	Residue	Details
F	SER16	electrostatic stabiliser, hydrogen bond donor
F	ALA42	electrostatic stabiliser, hydrogen bond donor
F	VAL130	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
F	GLY11	electrostatic stabiliser, hydrogen bond donor

site_id	MCSA3
Number of Residues	4
Details	M-CSA 212

Chain	Residue	Details
G	GLY11	electrostatic stabiliser, hydrogen bond donor
G	SER16	electrostatic stabiliser, hydrogen bond donor
G	ALA42	electrostatic stabiliser, hydrogen bond donor
G	VAL130	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_id	MCSA4
Number of Residues	4
Details	M-CSA 212

Chain	Residue	Details
H	GLY11	electrostatic stabiliser, hydrogen bond donor
H	SER16	electrostatic stabiliser, hydrogen bond donor
H	ALA42	electrostatic stabiliser, hydrogen bond donor
H	VAL130	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_id	MCSA5
Number of Residues	4
Details	M-CSA 212

Chain	Residue	Details
M	GLY11	electrostatic stabiliser, hydrogen bond donor
M	SER16	electrostatic stabiliser, hydrogen bond donor
M	ALA42	electrostatic stabiliser, hydrogen bond donor
M	VAL130	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_id	MCSA6
Number of Residues	4
Details	M-CSA 212

Chain	Residue	Details
N	GLY11	electrostatic stabiliser, hydrogen bond donor
N	SER16	electrostatic stabiliser, hydrogen bond donor
N	ALA42	electrostatic stabiliser, hydrogen bond donor
N	VAL130	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_id	MCSA7
Number of Residues	4
Details	M-CSA 212

Chain	Residue	Details
O	GLY11	electrostatic stabiliser, hydrogen bond donor
O	SER16	electrostatic stabiliser, hydrogen bond donor
O	ALA42	electrostatic stabiliser, hydrogen bond donor
O	VAL130	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_id	MCSA8
Number of Residues	4
Details	M-CSA 212

Chain	Residue	Details
P	GLY11	electrostatic stabiliser, hydrogen bond donor
P	SER16	electrostatic stabiliser, hydrogen bond donor
P	ALA42	electrostatic stabiliser, hydrogen bond donor
P	VAL130	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

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