Structure of PDB 1mio Chain D Binding Site BS03

Receptor Information
>1mio Chain D (length=457) Species: 1501 (Clostridium pasteurianum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDATPKEIVERKALRINPAKTCQPVGAMYAALGIHNCLPHSHGSQGCCSY
HRTVLSRHFKEPAMASTSSFTEGASVFGGGSNIKTAVKNIFSLYNPDIIA
VHTTCLSETLGDDLPTYISQMEDAGSIPEGKLVIHTNTPSYVGSHVTGFA
NMVQGIVNYLSENTGAKNGKINVIPGFVGPADMREIKRLFEAMDIPYIMF
PDTSGVLDGPTTGEYKMYPEGGTKIEDLKDTGNSDLTLSLGSYASDLGAK
TLEKKCKVPFKTLRTPIGVSATDEFIMALSEATGKEVPASIEEERGQLID
LMIDAQQYLQGKKVALLGDPDEIIALSKFIIELGAIPKYVVTGTPGMKFQ
KEIDAMLAEAGIEGSKVKVEGDFFDVHQWIKNEGVDLLISNTYGKFIARE
ENIPFVRFGFPIMDRYGHYYNPKVGYKGAIRLVEEITNVILDKIERECTE
EDFEVVR
Ligand information
Ligand IDCLP
InChIInChI=1S/8Fe.S2.6S/c;;;;;;;;1-2;;;;;;
InChIKeyMJXAKWFPOPRKKV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1S5([Fe]2[S]3[Fe]45)S67[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71
CACTVS 3.385S1[Fe]S[Fe]2S[Fe][S]2([Fe]1)[S]34[Fe]S[Fe]S[Fe]3S[Fe]4
FormulaFe8 S8
NameFE-S CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain1mio Chain D Residue 498 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1mio X-ray crystal structure of the nitrogenase molybdenum-iron protein from Clostridium pasteurianum at 3.0-A resolution.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C23 P25 S45 G47 C48 Y51 H52 T105 C106 S141
Binding residue
(residue number reindexed from 1)		C22 P24 S44 G46 C47 Y50 H51 T104 C105 S140
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C106 T110
Catalytic site (residue number reindexed from 1) C105 T109
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:1mio, PDBe:1mio, PDBj:1mio
PDBsum1mio
PubMed8393705
UniProtP11347|NIFK_CLOPA Nitrogenase molybdenum-iron protein beta chain (Gene Name=nifK)

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