Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1QH1

NITROGENASE MOFE PROTEIN FROM KLEBSIELLA PNEUMONIAE, PHENOSAFRANIN OXIDIZED 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 B 2771

Chain	Residue
B	ASN395
B	TRP398

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

Chain	Residue
D	ASN395
D	HOH3089
D	HOH3109

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

Chain	Residue
B	HOH3727
B	HOH3728
A	HOH3587
A	HOH3588
A	HOH3589
A	HOH3590

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

Chain	Residue
B	ASP349
B	ASP353
B	HOH3729
D	LYS106
D	GLU107
D	HOH3755

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

Chain	Residue
B	HOH3730
B	HOH3731
B	HOH3732
B	HOH3733
B	HOH3734
B	HOH3735

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

Chain	Residue
B	ASP407
B	HOH3736
B	HOH3737
B	HOH3738
B	HOH3739
B	HOH3740

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

Chain	Residue
C	HOH3027
C	HOH3028
C	HOH3029
D	HOH3756
D	HOH3757
D	HOH3758

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

Chain	Residue
B	LYS106
B	GLU107
B	HOH3741
D	ASP349
D	ASP353
D	HOH3759

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

Chain	Residue
D	HOH3760
D	HOH3761
D	HOH3762
D	HOH3763
D	HOH3764
D	HOH3765

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	HOH3003
A	HOH3005
A	HOH3012
A	HOH3024
A	HOH3038
A	HOH3047
A	HOH3569
A	HOH3570
A	HOH3571
B	HOH3032

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	HOH1326
C	HOH1331
C	HOH1335
C	HOH1336
C	HOH1344
C	HOH1865
C	HOH1874
C	HOH1906
D	HOH3036
C	ALA64
C	ARG95
C	GLN190
C	GLY422
C	ILE423
C	HIS440
C	CFM503
C	HOH1322

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	15
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	GLY92
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	HOH3009

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

Chain	Residue
A	LYS75
A	THR100
A	ASP254
A	HOH3579
B	PHE23
B	GLU30
B	HOH3727

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	HOH3121
D	HOH3063

site_id	CC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 2776

Chain	Residue
A	ASN208
A	ARG209
A	GLU261
A	HOH3243
D	GLN36
D	HOH3318
D	HOH3727

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 2777

Chain	Residue
A	LYS267
A	GLN313
A	PHE314
A	HOH3281
A	HOH3288

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 2778

Chain	Residue
B	LYS237
B	SER248
B	LEU249
B	ASP252
B	GLU276
B	HOH3525

site_id	CC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO B 2779

Chain	Residue
B	LEU501
B	SER514
B	ARG519
B	HOH3712
C	TYR444
D	SER9
D	CYS10

site_id	CC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO D 2780

Chain	Residue
B	GLN448
B	ARG464
B	ARG472
D	ASP502
D	SER503
D	PHE515
D	HOH3165
D	HOH3226

site_id	CC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 2781

Chain	Residue
B	THR356
B	TRP357
B	HOH3705
B	HOH3707
C	ASP443
C	TYR444

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

Chain	Residue
C	PRO176
C	ASN208
C	ARG209
C	GLU261
C	HOH1479
C	HOH1497

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

Chain	Residue
D	LYS237
D	SER248
D	LEU249
D	ASP252
D	GLU276
D	HOH3332

site_id	CC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO D 2784

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

site_id	DC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO D 2785

Chain	Residue
D	ASN54
D	PHE55
D	ARG57
D	CYS421
D	HIS425

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

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