Structure of PDB 4tkv Chain C

Receptor sequence

>4tkvC (length=477) Species: 354 (Azotobacter vinelandii)

MSREEVESLIQEVLEVYPEKARKDRNKHLAVNDPAVTQSKKCIISNKKSQ
PGLMTIRGCAYAGSKGVVWGPIKDMIHISHGPVGCGQYSRAGRRNYYIGT
TGVNAFVTMNFTSDFQEKDIVFGGDKKLAKLIDEVETLFPLNKGISVQSE
CPIGLIGDDIESVSKVKGAELSKTIVPVRCEGFRGVSQSLGHHIANDAVR
DWVLGKRDEDTTFASTPYDVAIIGDYNIGGDAWSSRILLEEMGLRCVAQW
SGDGSISEIELTPKVKLNLVHCYRSMNYISRHMEEKYGIPWMEYNFFGPT
KTIESLRAIAAKFDESIQKKCEEVIAKYKPEWEAVVAKYRPRLEGKRVML
YIGGLRPRHVIGAYEDLGMEVVGTGYEFAHNDDYDRTMKEMGDSTLLYDD
VTGYEFEEFVKRIKPDLIGSGIKEKFIFQKMGIPFRQMHSWDYSGPYHGF
DGFAIFARDMDMTLNNPCWKKLQAPWE

3D structure

• PDB: 4tkv Ligand binding to the FeMo-cofactor: structures of CO-bound and reactivated nitrogenase.
• Chain: C
• Resolution: 1.5 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C62 A65 R96 H195
• Catalytic site (residue number reindexed from 1): C59 A62 R93 H192
• Enzyme Commision number: 1.18.6.1: nitrogenase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ICE	C	V70 R96 Y229 C275 S278 I355 G356 G357 L358 R359 F381 H442	V67 R93 Y226 C272 S275 I352 G353 G354 L355 R356 F378 H439
BS02	CMO	C	V70 H195 F381	V67 H192 F378
BS03	CMO	C	Y100 T111	Y97 T108
BS04	CLF	C	C62 Y64 G87 C88 Y91 C154 G185	C59 Y61 G84 C85 Y88 C151 G182

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0016163 nitrogenase activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding

Biological Process

• GO:0009399 nitrogen fixation

Cellular Component

• GO:0016612 molybdenum-iron nitrogenase complex

External links

• PDB: RCSB:4tkv, PDBe:4tkv, PDBj:4tkv
• PDBsum: 4tkv
• PubMed: 25258081
• UniProt: P07328|NIFD_AZOVI Nitrogenase molybdenum-iron protein alpha chain (Gene Name=nifD)