Structure of PDB 8jc1 Chain B Binding Site BS01

Receptor Information

>8jc1 Chain B (length=267) Species: 554 (Pectobacterium carotovorum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ATYKIKDLTGNVEFECSDDTYILDAAEEAGLDLPYSCRAGSCSSCVALLI
SGSVDQRDASFLDEEQQKYFVLTCAAYPNSNCVIKTGVEEMLLGYDSYRD
MSEYLFGLLGGNDSPELLDGLFTPVDAFRHYLFGNGTNKSININDVGLSI
DVSQIPPIMNIINQGFIGRFDISSDFNRNTVLDGIIPASYLGNITLKTEG
VLSISPDGAWSYNGGIRAYNDLYDANPSTHRDRLGEWSTGVLDKFNGTPY
EIQIPGTLDISGRGQRL

Ligand information

InChI=1S/2Fe.2S

NIXDOXVAJZFRNF-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	[Fe]1S[Fe]S1
CACTVS 3.341 OpenEye OEToolkits 1.5.0	S1[Fe]S[Fe]1

Formula

Fe2 S2

Name

FE2/S2 (INORGANIC) CLUSTER

ChEMBL

DrugBank

ZINC

PDB chain

8jc1 Chain B Residue 301 [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	8jc1 Crystal structure of pectocin M1 reveals diverse conformations and interactions during its initial step via the ferredoxin uptake system.
Resolution	2.04 Å
Binding residue (original residue number in PDB)	Y36 C38 R39 G41 C43 C46 C75
Binding residue (residue number reindexed from 1)	Y35 C37 R38 G40 C42 C45 C74
Annotation score	4

External links

PDB	RCSB:8jc1, PDBe:8jc1, PDBj:8jc1
PDBsum	8jc1
PubMed	39123319
UniProt	C6DJ69

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