Structure of PDB 8xaw Chain D Binding Site BS04

Receptor Information

>8xaw Chain D (length=563) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NDINAEVVSVSPNKLKISVDDLEEFKIAEEKLGVGSYLRVSDNQDVALLA
IIDNFSIEVKESQKQKYMIEASPIGLVKNGKFYRGGDSLALPPKKVEPAK
LDEIISIYSDSIDINDRFTFSSLSLNTKVSVPVNGNRFFNKHIAIVGSTG
SGKSHTVAKILQKAVDEKQEGYKGLNNSHIIIFDIHSEYENAFPNSNVLN
VDTLTLPYWLLNGDELEELFLDTEANDHNQRNVFRQAITLNKKIHFQGDP
ATKEIISFHSPYYFDINEVINYINNRNNERKNKDNEHIWSDEEGNFKFDN
ENAHRLFKENVTPDGSSAGALNGKLLNFVDRLQSKIFDKRLDFILGEGSK
SVTFKETLETLISYGKDKSNITILDVSGVPFEVLSICVSLISRLIFEFGY
HSKKIKRKSNENQDIPILIVYEEAHKYAPKSDLSKYRTSKEAIERIAKEG
RKYGVTLLLASQRPSEISETIFSQCNTFISMRLTNPDDQNYVKRLLPDIT
NLLPSLKEGEALIMGDSISIPSIVKIEKCTIPPSSIDIKYLDEWRKEWVD
SEFDKIIEQWSKS

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

8xaw Chain D Residue 602 [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	8xaw Cryo-EM structure of DUF4297Q53AK55A-HerA-AMPPNP-DNA
Resolution	2.73 Å
Binding residue (original residue number in PDB)	S158 E192
Binding residue (residue number reindexed from 1)	S154 E188
Annotation score	4

External links

PDB	RCSB:8xaw, PDBe:8xaw, PDBj:8xaw
PDBsum	8xaw
PubMed	38834762

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