Structure of PDB 6hrg Chain A Binding Site BS01

Receptor Information
>6hrg Chain A (length=233) Species: 160233 (Ignicoccus hospitalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTVKLTYFGHSAFHVEVDGVGIAIDPWITNPLSKTTLEDYLKNFKTDLVV
ITHAHEDHIGDALEIMRRTGAKFFSIHEIYVDLTQKGFQGIGANIGGPAK
LDDVAPGLGIALTPATHSSYDKGVPTGAIIFKDGKALVYHAGDTGLFAEM
QFIGELYAPKVALLPIGGHYTMDIEQALLATKLLRPEVVVPMHYNTFPPI
RADPNEFKQKVESAGLAKVRVMEPGETVTFEFK
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6hrg Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6hrg A promiscuous ancestral enzyme ́s structure unveils protein variable regions of the highly diverse metallo-beta-lactamase family.
Resolution2.12 Å
Binding residue
(original residue number in PDB)		D58 H59 D144 H194
Binding residue
(residue number reindexed from 1)		D57 H58 D143 H193
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:6hrg, PDBe:6hrg, PDBj:6hrg
PDBsum6hrg
PubMed33514861
UniProtA8ABX8|Y1254_IGNH4 UPF0173 metal-dependent hydrolase Igni_1254 (Gene Name=Igni_1254)

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