Structure of PDB 4wn9 Chain D

Receptor sequence

>4wn9D (length=458) Species: 1501 (Clostridium pasteurianum)

MLDATPKEIVERKALRINPAKTCQPVGAMYAALGIHNCLPHSHGSQGCCS
YHRTVLSRHFKEPAMASTSSFTEGASVFGGGSNIKTAVKNIFSLYNPDII
AVHTTCLSETLGDDLPTYISQMEDAGSIPEGKLVIHTNTPSYVGSHVTGF
ANMVQGIVNYLSENTGAKNGKINVIPGFVGPADMREIKRLFEAMDIPYIM
FPDTSGVLDGPTTGEYKMYPEGGTKIEDLKDTGNSDLTLSLGSYASDLGA
KTLEKKCKVPFKTLRTPIGVSATDEFIMALSEATGKEVPASIEEERGQLI
DLMIDAQQYLQGKKVALLGDPDEIIALSKFIIELGAIPKYVVTGTPGMKF
QKEIDAMLAEAGIEGSKVKVEGDFFDVHQWIKNEGVDLLISNTYGKFIAR
EENIPFVRFGFPIMDRYGHYYNPKVGYKGAIRLVEEITNVILDKIERECT
EEDFEVVR

3D structure

• PDB: 4wn9 Substrate Pathways in the Nitrogenase MoFe Protein by Experimental Identification of Small Molecule Binding Sites.
• Chain: D
• Resolution: 1.9 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C106 T110
• Catalytic site (residue number reindexed from 1): C106 T110
• 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	FE	D	K61 E62	K61 E62
BS02	FE	D	D301 D305	D301 D305
BS03	CLF	D	C23 S45 G47 C48 Y51 C106 S141	C23 S45 G47 C48 Y51 C106 S141
BS04	PRO	D	Y30 H59 F60 F178 V179 G180 K424	Y30 H59 F60 F178 V179 G180 K424

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:4wn9, PDBe:4wn9, PDBj:4wn9
• PDBsum: 4wn9
• PubMed: 25710326
• UniProt: P11347|NIFK_CLOPA Nitrogenase molybdenum-iron protein beta chain (Gene Name=nifK)