4WN9

Structure of the Nitrogenase MoFe Protein from Clostridium pasteurianum Pressurized with Xenon

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	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	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	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	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	GLN182
A	HOH741
A	HOH745
A	HOH777
A	HOH800
A	HOH825
A	HOH954
B	HOH688
A	GLY464
A	ILE465
A	HIS482
A	ICS602
A	HOH724
A	HOH729
A	HOH733
A	HOH737

---

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

Chain	Residue
A	VAL61
A	ARG87
A	HIS186
A	TYR216
A	CYS262
A	SER265
A	GLY344
A	GLY345
A	ARG347
A	PHE369
A	HIS482
A	HCA601

---

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

Chain	Residue
A	ASP256
A	CYS302
A	ILE409

---

site_id	AC4
Number of Residues	2
Details	binding site for residue XE A 604

Chain	Residue
A	TYR490
A	PHE499

---

site_id	AC5
Number of Residues	17
Details	binding site for residue CLF A 605

Chain	Residue
A	CYS53
A	TYR55
A	PRO76
A	GLY78
A	CYS79
A	CYS145
A	GLY176
B	CYS23
B	PRO25
B	SER45
B	GLY47
B	CYS48
B	TYR51
B	HIS52
B	THR105
B	CYS106
B	SER141

---

site_id	AC6
Number of Residues	1
Details	binding site for residue XE B 501

Chain	Residue
B	LEU15

---

site_id	AC7
Number of Residues	10
Details	binding site for residue PRO B 502

Chain	Residue
B	TYR30
B	HIS59
B	PHE178
B	VAL179
B	GLY180
B	GLU323
B	PHE411
B	LYS424
B	HOH662
B	HOH675

---

site_id	AC8
Number of Residues	6
Details	binding site for residue FE B 503

Chain	Residue
B	ASP301
B	ASP305
B	HOH984
D	LYS61
D	GLU62
D	HOH628

---

site_id	AC9
Number of Residues	6
Details	binding site for residue FE B 504

Chain	Residue
B	LYS61
B	GLU62
B	HOH643
D	ASP301
D	ASP305
D	HOH932

---

site_id	AD1
Number of Residues	15
Details	binding site for residue HCA C 601

Chain	Residue
C	GLN182
C	GLY464
C	ILE465
C	HIS482
C	ICS602
C	HOH747
C	HOH748
C	HOH754
C	HOH761
C	HOH763
C	HOH788
C	HOH863
C	HOH889
C	HOH941
D	HOH761

---

site_id	AD2
Number of Residues	13
Details	binding site for residue ICS C 602

Chain	Residue
C	HIS482
C	HCA601
C	VAL61
C	ARG87
C	HIS186
C	TYR216
C	CYS262
C	SER265
C	VAL343
C	GLY344
C	GLY345
C	ARG347
C	PHE369

---

site_id	AD3
Number of Residues	3
Details	binding site for residue XE C 603

Chain	Residue
C	TYR490
C	PHE499
C	LEU503

---

site_id	AD4
Number of Residues	2
Details	binding site for residue XE C 604

Chain	Residue
C	ASP256
C	CYS302

---

site_id	AD5
Number of Residues	17
Details	binding site for residue CLF C 605

Chain	Residue
C	CYS53
C	TYR55
C	PRO76
C	GLY78
C	CYS79
C	CYS145
C	GLY176
D	CYS23
D	PRO25
D	SER45
D	GLY47
D	CYS48
D	TYR51
D	HIS52
D	THR105
D	CYS106
D	SER141

---

site_id	AD6
Number of Residues	1
Details	binding site for residue XE D 501

Chain	Residue
D	LEU15

---

site_id	AD7
Number of Residues	9
Details	binding site for residue PRO D 502

Chain	Residue
D	TYR30
D	HIS59
D	PHE178
D	VAL179
D	GLY180
D	PHE411
D	LYS424
D	HOH621
D	HOH678

---

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. ATCpvgliGDDIlAV

Chain	Residue	Details
A	ALA143-VAL157
B	THR104-TYR118

---

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

Chain	Residue	Details
A	ILE72-CYS79
B	HIS41-CYS48

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING:

Chain	Residue	Details
B	CYS23
C	HIS482
B	CYS48
B	CYS106
B	SER141
D	CYS23
D	CYS48
D	CYS106
D	SER141
C	CYS262

---