Structure of PDB 6pfz Chain A Binding Site BS05

Receptor Information
>6pfz Chain A (length=541) Species: 224325 (Archaeoglobus fulgidus DSM 4304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNVVVIGGGAAGLKAASRIRRKDGDASITVVEAGKYVSLGRCGLPYYVGG
LVHEVDNLRETTYGAVRDEAYFKKLKNIDVLTETVATEIDRSRKTVKIVR
NGSEDELNYDYLVIATGARPAKPPIEGIEAEGVVTLTSAEEAEKIIEMWE
EGAEKAVVIGAGFIGLESAEALKNLDMEVTVIEMMDRVAPAMLDREMAVL
VENHLREKGVNVVTSTRVEKIVSQDDKVRAVIANGKEYPADVVVVATGIK
PNSELAEKAGLKIGETGAIWVDEYMRTSDESIYAGGDCVETTCLVTGKKI
IAPFGDVANKQGRVIGENITGGRAVFPGVIRTAIFKVFDFTAASAGVNEQ
MAKEAGLDYFTVIAPSPDRAHYYPQANYIRLKLIVEKGSWRVIGAQGVGM
GEVAKRIDVLSTAIQAGMTIDQLANLDLAYAPPYSPALDPVITIANVAMN
KRDGLFEGINVFELKDIVILDVRSEEERIESEKVIHIPILELRERLDEIP
RDKEIVVVCAIGLRSFEASRILKHAGFEKVKILEGGMAFWF
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6pfz Chain B Residue 903 [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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PDB6pfz Structural and Kinetic Characterization of Hyperthermophilic NADH-Dependent Persulfide Reductase from Archaeoglobus fulgidus .
Resolution3.10004 Å
Binding residue
(original residue number in PDB)		D427 L428
Binding residue
(residue number reindexed from 1)		D427 L428
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) V37 C42 L455 F456
Catalytic site (residue number reindexed from 1) V37 C42 L455 F456
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6pfz, PDBe:6pfz, PDBj:6pfz
PDBsum6pfz
PubMed33776585
UniProtO29847

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