Structure of PDB 6jss Chain A Binding Site BS01

Receptor Information

>6jss Chain A (length=323) Species: 235909 (Geobacillus kaustophilus HTA426) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EMVETVCGPVPVEQLGKTLIHEHFLFGYPGFQGDVTRGTFREDESLRVAV
EAAEKMKRHGIQTVVDPTPNDCGRNPAFLRRVAEETGLNIICATGYPYEG
EGAPPYFQFRRLLGTAEDDIYDMFMAELTEGIADTGIKAGVIKLASSKGR
ITEYEKMFFRAAARAQKETGAVIITHTQEGTMGPEQAAYLLEHGADPKKI
VIGHMCGNTDPDYHRKTLAYGVYIAFDRFGIQGMVGAPTDEERVRTLLAL
LRDGYEKQIMLSHDTVNVWLGRPFTLPEPFAEMMKNWHVEHLFVNIIPAL
KNEGIRDEVLEQMFIGNPAALFS

Ligand information

Ligand ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

6jss Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6jss Directed Computational Evolution of Quorum-Quenching Lactonases from the Amidohydrolase Superfamily.
Resolution	2.16 Å
Binding residue (original residue number in PDB)	H23 H25 K145 D266
Binding residue (residue number reindexed from 1)	H21 H23 K143 D264
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	H23 H25 K145 H178 H206 G209 R230 D266
Catalytic site (residue number reindexed from 1)	H21 H23 K143 H176 H204 G207 R228 D264
Enzyme Commision number	3.5.-.-

Gene Ontology

	Molecular Function
GO:0008270	zinc ion binding
GO:0016787	hydrolase activity
GO:0046872	metal ion binding

	Biological Process
GO:0009056	catabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:6jss, PDBe:6jss, PDBj:6jss
PDBsum	6jss
PubMed	32320671
UniProt	Q5KZU5

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