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Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1QH8

NITROGENASE MOFE PROTEIN FROM KLEBSIELLA PNEUMONIAE, AS-CRYSTALLIZED (MIXED OXIDATION) STATE

Functional Information from GO Data

Chain	GOid	namespace	contents
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	0051536	molecular_function	iron-sulfur cluster 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
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	0051536	molecular_function	iron-sulfur cluster 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

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL D 2901

Chain	Residue
D	ASN395
D	TRP398
D	HOH3102
D	HOH3123

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL B 2902

Chain	Residue
B	ASN395
B	TRP398
B	HOH3097

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

Chain	Residue
A	HOH3611
A	HOH3612
B	HOH3799
B	HOH3800
A	HOH3609
A	HOH3610

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

Chain	Residue
B	ASP349
B	ASP353
B	HOH3801
D	LYS106
D	GLU107
D	HOH3825

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 3003

Chain	Residue
B	HOH3802
B	HOH3803
B	HOH3804
B	HOH3805
B	HOH3806

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

Chain	Residue
B	ASP407
B	HOH3807
B	HOH3808
B	HOH3809
B	HOH3810
B	HOH3811

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

Chain	Residue
C	HOH3026
C	HOH3028
C	HOH3029
C	HOH3030
D	HOH3826
D	HOH3827

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

Chain	Residue
B	LYS106
B	GLU107
B	HOH3812
D	ASP349
D	ASP353
D	HOH3828

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

Chain	Residue
B	HOH3813
B	HOH3814
D	GLN434
D	HOH3829
D	HOH3830
D	HOH3831

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	HOH3004
A	HOH3006
A	HOH3012
A	HOH3030
A	HOH3037
A	HOH3592
A	HOH3593
A	HOH3594
A	HOH3595
B	HOH3037

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	15
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	GLY92
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	HOH1417
C	HOH1419
C	HOH1431
C	HOH1434
C	HOH1436
C	HOH2032
C	HOH2033
C	HOH2039
C	HOH2068
C	HOH2078
C	ALA64
C	ARG95
C	GLN190
C	GLY422
C	ILE423
C	HIS440
C	CFM503

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	7
Details	BINDING SITE FOR RESIDUE EDO B 2903

Chain	Residue
B	LYS237
B	SER248
B	LEU249
B	ASP252
B	GLU276
B	HOH3440
B	HOH3555

site_id	BC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO B 2904

Chain	Residue
B	LEU501
B	SER514
B	ARG519
B	HOH3702
B	HOH3787
C	TYR444
D	SER9
D	CYS10

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO B 2905

Chain	Residue
B	GLU51
B	PHE55
B	ARG433
B	HOH3580

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 2906

Chain	Residue
B	ASN54
B	PHE55
B	ARG57
B	HIS425
B	HOH3645

site_id	CC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO B 2907

Chain	Residue
B	HIS474
B	HOH3254
B	HOH3312
B	HOH3413
B	HOH3786
D	MET350
D	THR491

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO D 2908

Chain	Residue
A	ASP443
D	THR356
D	TRP357
D	HOH3008
D	HOH3009
D	HOH3012

site_id	CC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 2909

Chain	Residue
A	LYS75
A	THR100
A	ASP254
A	HOH3602
B	PHE23
B	GLU30
B	HOH3800

site_id	CC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO A 2910

Chain	Residue
A	ALA93
A	ARG95
A	ASN97
A	TYR98
A	THR110
A	HOH3105
A	HOH3449
A	HOH3451
D	HOH3071

site_id	CC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 2911

Chain	Residue
A	PRO176
A	ARG209
A	GLU261
A	HOH3225
D	GLN36
D	HOH3341

site_id	CC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 2912

Chain	Residue
A	LYS267
A	GLN313
A	PHE314
A	HOH3244
A	HOH3301
A	HOH3545

site_id	CC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 2913

Chain	Residue
B	THR356
B	TRP357
B	HOH3777
B	HOH3779
C	ASP443
C	TYR444

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO C 2914

Chain	Residue
C	PRO176
C	ASN208
C	ARG209
C	GLU261
C	HOH1573
C	HOH1589

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 2915

Chain	Residue
A	ASN48
A	LEU192
A	HIS195
A	TYR279
A	HOH3088
A	HOH3241

site_id	DC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO D 2916

Chain	Residue
D	LYS237
D	SER248
D	LEU249
D	ASP252
D	GLU276
D	HOH3380
D	HOH3699

site_id	DC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO D 2917

Chain	Residue
A	TYR444
B	SER9
B	CYS10
D	LEU501
D	SER514
D	ARG519
D	HOH3012

site_id	DC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO D 2918

Chain	Residue
C	HOH1845
D	ASN54
D	PHE55
D	ARG57
D	HIS425

site_id	DC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO D 2919

Chain	Residue
D	ARG27
D	GLN28
D	GLU31
D	ALA32
D	HOH3351
D	HOH3775

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. TTCmaeviGDDLqAF

Chain	Residue	Details
B	THR149-PHE163
A	SER151-VAL165

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	TYR86-CYS93
A	ILE80-CYS87

Functional Information from SwissProt/UniProt

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

Chain

Residue

Details

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PDB entries from 2026-03-25

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