Structure of PDB 8eno Chain C Binding Site BS01
Receptor Information
>8eno Chain C (length=407) Species:
322710
(Azotobacter vinelandii DJ) [
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NKKSQPGLMTIRGCAYAGSKGVVWGPIKDMIHISHGPVGCGQYSRAGRRN
YYIGTTGVNAFVTMNFTSDFQEKDIVFGGDKKLAKLIDEVETLFPLNKGI
SVQSECPIGLIGDDIESVSKVKGAELSKTIVPVRCEGFRGVSQSLGHHIA
NDAVRDWVLGKRDEDTTFASTPYDVAIIGDYNIGGDAWSSRILLEEMGLR
CVAQWSGDGSISEIELTPKVKLNLVHCYRSMNYISRHMEEKYGIPWMEYN
FFGPTKTIESLRAIAAKFDESIQKKCEEVIAKYKPEWEAVVAKYRPRLEG
KRVMLYIGGLRPRHVIGAYEDLGMEVVNDDYDRLLYEEFVKRIKPDLIGS
GIKEKFIFQKMGIPFREMHSWDYSGPYHGFDGFAIFARDMDMTLNNPCWK
KLQAPWE
Ligand information
Ligand ID
ICS
InChI
InChI=1S/C.7Fe.Mo.9S
InChIKey
DDQFAOMIVKLFON-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.370
S1|2[Fe]|3S4|[Fe]15S[Fe]67S|8[Mo]9|S%10[Fe]%11|8S[Fe]%12|2S|3[Fe]4%13S[Fe]%10(|S69)[C]57%11%12%13
OpenEye OEToolkits 1.7.2
C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12
Formula
C Fe7 Mo S9
Name
iron-sulfur-molybdenum cluster with interstitial carbon
ChEMBL
DrugBank
ZINC
PDB chain
8eno Chain C Residue 600 [
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Receptor-Ligand Complex Structure
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PDB
8eno
Structural consequences of turnover-induced homocitrate loss in nitrogenase.
Resolution
2.71 Å
Binding residue
(original residue number in PDB)
V70 R96 Q191 H195 Y229 C275 R277 S278 I355 G356 G357 L358 R359 H442
Binding residue
(residue number reindexed from 1)
V22 R48 Q143 H147 Y181 C227 R229 S230 I307 G308 G309 L310 R311 H369
Annotation score
2
Enzymatic activity
Enzyme Commision number
1.18.6.1
: nitrogenase.
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
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:8eno
,
PDBe:8eno
,
PDBj:8eno
PDBsum
8eno
PubMed
36841829
UniProt
P07328
|NIFD_AZOVI Nitrogenase molybdenum-iron protein alpha chain (Gene Name=nifD)
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