8BTS

Nitrogenase MoFe protein from A. vinelandii alpha double mutant C45A/L158C

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	obsolete 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	obsolete 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	obsolete 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	obsolete carbonyl sulfide nitrogenase activity
D	0046872	molecular_function	metal ion binding
D	0051536	molecular_function	iron-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	0016612	cellular_component	molybdenum-iron nitrogenase complex
H	0018697	molecular_function	obsolete carbonyl sulfide nitrogenase activity
H	0046872	molecular_function	metal ion binding
H	0051536	molecular_function	iron-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	obsolete 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	obsolete carbonyl sulfide nitrogenase activity
J	0046872	molecular_function	metal ion binding
J	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	obsolete carbonyl sulfide nitrogenase activity
L	0046872	molecular_function	metal ion binding
L	0051536	molecular_function	iron-sulfur cluster binding

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. TTCmaeviGDDLnAF

Chain	Residue	Details
B	THR151-PHE165
A	SER152-VAL166

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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

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	20
Details	BINDING:

Chain	Residue	Details
A	CYS62
C	HIS442
H	CYS62
H	CYS88
H	CYS154
H	CYS275
H	HIS442
J	CYS62
J	CYS88
J	CYS154
J	CYS275
A	CYS88
J	HIS442
A	CYS154
A	CYS275
A	HIS442
C	CYS62
C	CYS88
C	CYS154
C	CYS275

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 212

Chain	Residue	Details
A	CYS62	metal ligand
A	ALA65	polar/non-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	4
Details	M-CSA 212

Chain	Residue	Details
C	CYS62	metal ligand
C	ALA65	polar/non-polar interaction, single electron acceptor, single electron donor, single electron relay
C	ARG96	activator, hydrogen bond donor
C	HIS195	activator, polar interaction

---

site_id	MCSA3
Number of Residues	4
Details	M-CSA 212

Chain	Residue	Details
H	CYS62	metal ligand
H	ALA65	polar/non-polar interaction, single electron acceptor, single electron donor, single electron relay
H	ARG96	activator, hydrogen bond donor
H	HIS195	activator, polar interaction

---

site_id	MCSA4
Number of Residues	4
Details	M-CSA 212

Chain	Residue	Details
J	CYS62	metal ligand
J	ALA65	polar/non-polar interaction, single electron acceptor, single electron donor, single electron relay
J	ARG96	activator, hydrogen bond donor
J	HIS195	activator, polar interaction

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