Structure of PDB 8btj Chain B Binding Site BS02

Receptor Information

>8btj Chain B (length=402) Species: 10365 (Muromegalovirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EDPRRDTSLMINERCNFPHNMLSEENINFIQDAVCNGDLGAVAALNSGLP
MAPYMLEALLAVRVKHRLTKVRQTLEPVICYTISVAHLINGTRILRSATA
KHATAWGPNDKHRAESGLRRIYRALNLEDNPFDLVEAVGDLDLSQGAYEG
YVRHIYSLMKSLGHDVGHLSRSLDYSTMTVFNYLYESPLFTSQEAVTMYS
RNLAGITKMSREPFETLSVVHRSKEPPEILNDMLFLLSVGRMIVLHQESL
RALRKNLILTASALCSILYTAYTQVPETKSLFREVAHEAHALLSSRSPDT
PNFRPFVACMLQFIKQIIAADVYTCPRYLTNQILAVTNNPYNDQNIFKCP
RSLVHYVGDALFKKTMTQELLVSCTDQEATYQTYELPSVSELVGEGVAKR
AH

Ligand information

Ligand ID

BU3

InChI

InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1

InChIKey

OWBTYPJTUOEWEK-QWWZWVQMSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	C[C@H]([C@@H](C)O)O
CACTVS 3.341	C[C@@H](O)[C@@H](C)O
ACDLabs 10.04	OC(C)C(O)C
OpenEye OEToolkits 1.5.0	CC(C(C)O)O
CACTVS 3.341	C[CH](O)[CH](C)O

Formula

C4 H10 O2

Name

(R,R)-2,3-BUTANEDIOL

PDB chain

8btj Chain B Residue 501 [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	8btj The Cytomegalovirus M35 Protein Directly Binds to the Interferon-beta Enhancer and Modulates Transcription of Ifnb1 and Other IRF3-Driven Genes.
Resolution	1.94 Å
Binding residue (original residue number in PDB)	M16 K214
Binding residue (residue number reindexed from 1)	M10 K208
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:8btj, PDBe:8btj, PDBj:8btj
PDBsum	8btj
PubMed	37289084
UniProt	A8E1G1\|M35_MUHVK Protein M35 (Gene Name=M35)

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