Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1QGU

NITROGENASE MO-FE PROTEIN FROM KLEBSIELLA PNEUMONIAE, DITHIONITE-REDUCED STATE

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	2
Details	BINDING SITE FOR RESIDUE CL D 2771

Chain	Residue
D	ASN395
D	HOH3089

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL B 2772

Chain	Residue
B	ASN395
B	TRP398
B	HOH3112

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 3001

Chain	Residue
B	HOH3784
B	HOH3785
A	HOH3605
A	HOH3606
A	HOH3607
B	HOH3783

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 3002

Chain	Residue
B	ASP349
B	ASP353
B	HOH3786
D	LYS106
D	GLU107
D	HOH3796

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 3003

Chain	Residue
B	HOH3787
B	HOH3788
B	HOH3789
B	HOH3790
B	HOH3791
B	HOH3792

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 3004

Chain	Residue
B	ASP407
B	HOH3793
B	HOH3794
B	HOH3795
B	HOH3796
B	HOH3797

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C 3005

Chain	Residue
C	HOH3027
C	HOH3028
C	HOH3029
C	HOH3031
D	HOH3797
D	HOH3798

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG D 3006

Chain	Residue
B	LYS106
B	GLU107
B	HOH3798
D	ASP349
D	ASP353
D	HOH3799

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG D 3007

Chain	Residue
D	HOH3800
D	HOH3801
D	HOH3802
D	HOH3803
D	HOH3804
D	HOH3805

site_id	BC1
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HCA A 501

Chain	Residue
A	ALA64
A	ARG95
A	GLN190
A	GLY422
A	ILE423
A	HIS440
A	CFM503
A	HOH3007
A	HOH3008
A	HOH3009
A	HOH3026
A	HOH3032
A	HOH3043
A	HOH3592
A	HOH3593
A	HOH3594
B	HOH3017

site_id	BC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE CFM A 503

Chain	Residue
A	VAL69
A	ARG95
A	HIS194
A	TYR227
A	CYS273
A	GLY354
A	GLY355
A	LEU356
A	ARG357
A	PHE379
A	HIS440
A	HCA501

site_id	BC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE CLF A 505

Chain	Residue
A	CYS61
A	TYR63
A	PRO84
A	GLY86
A	CYS87
A	TYR90
A	CYS153
A	GLY184
B	CYS68
B	SER90
B	CYS93
B	TYR96
B	CYS151
B	SER186

site_id	BC4
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HCA C 501

Chain	Residue
C	HOH1392
C	HOH1393
C	HOH1396
C	HOH1963
C	HOH1966
C	HOH2004
C	HOH2031
D	HOH3041
C	ALA64
C	ARG95
C	GLN190
C	GLY422
C	ILE423
C	HIS440
C	CFM503
C	HOH1382
C	HOH1391

site_id	BC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE CFM C 503

Chain	Residue
C	VAL69
C	ARG95
C	HIS194
C	TYR227
C	CYS273
C	GLY354
C	GLY355
C	LEU356
C	ARG357
C	PHE379
C	HIS440
C	HCA501

site_id	BC6
Number of Residues	14
Details	BINDING SITE FOR RESIDUE CLF C 505

Chain	Residue
C	CYS61
C	TYR63
C	PRO84
C	GLY86
C	CYS87
C	TYR90
C	CYS153
C	GLY184
D	CYS68
D	SER90
D	CYS93
D	TYR96
D	CYS151
D	SER186

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO D 2773

Chain	Residue
A	ASP443
D	THR356
D	TRP357
D	HOH3008
D	HOH3150

site_id	BC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 2774

Chain	Residue
A	LYS75
A	THR100
A	ASP254
A	HOH3600
B	PHE23
B	GLU30
B	HOH3784

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 2775

Chain	Residue
A	ALA93
A	ARG95
A	ASN97
A	TYR98
A	THR110
A	HOH3134
D	HOH3070

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 2776

Chain	Residue
A	ARG209
A	GLU261
A	HOH3191
D	GLN36
D	HOH3445

site_id	CC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 2777

Chain	Residue
A	LYS267
A	GLN313
A	PHE314
A	HOH3196
A	HOH3231
A	HOH3346
A	HOH3548

site_id	CC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 2778

Chain	Residue
B	THR356
B	TRP357
B	HOH3764
B	HOH3765
C	ASP443

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO C 2779

Chain	Residue
C	PRO176
C	ASN208
C	ARG209
C	GLU261
C	HOH1542
C	HOH1544

site_id	CC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 2780

Chain	Residue
A	ASN48
A	LEU192
A	HIS195
A	HOH3089
A	HOH3186
A	HOH3527

site_id	CC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO B 2781

Chain	Residue
B	LYS237
B	SER248
B	LEU249
B	ASP252
B	GLU276
B	HOH3471
B	HOH3751

site_id	CC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 2782

Chain	Residue
B	GLU51
B	PHE55
B	ARG433
B	HOH3538
B	HOH3559
B	HOH3580

site_id	CC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 2783

Chain	Residue
B	ASN54
B	PHE55
B	ARG57
B	CYS421
B	HIS425
B	HOH3741

site_id	CC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO D 2784

Chain	Residue
B	HIS474
B	ARG477
D	MET350
D	THR491
D	HOH3013
D	HOH3015
D	HOH3269

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO D 2785

Chain	Residue
D	LYS237
D	SER248
D	LEU249
D	ASP252
D	GLU276
D	HOH3392

site_id	DC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO D 2786

Chain	Residue
A	TYR444
B	TYR11
D	LEU501
D	SER514
D	ARG519
D	HOH3010

site_id	DC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO D 2787

Chain	Residue
D	ASN54
D	PHE55
D	ARG57
D	HIS425
D	HOH3664

site_id	DC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO D 2788

Chain	Residue
A	LYS171
A	HOH3433
D	ARG27
D	GLN28
D	GLU30
D	GLU31
D	ALA32

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. SECpvgliGDDIsAV

Chain	Residue	Details
A	SER151-VAL165
B	THR149-PHE163

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	ILE80-CYS87
B	TYR86-CYS93

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	18
Details	Binding site: {}

Chain

Residue

Details

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