Structure of PDB 4czk Chain A Binding Site BS02

Receptor Information
>4czk Chain A (length=318) Species: 155892 (Caulobacter vibrioides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISNDIAIDLGTANTLIYQKGKGIVLNEPSVVALRNKVVHAVGIEAKQMLG
RTPGHMEAIRPMRDGVIADFEVAEEMIKYFIRKVHNRKGSGNPKVIVCVP
SGATAVERRAINDSCLNAGARRVGLIDEPMAAAIGAGLPIHEPTGSMVVD
IGGGTTEVAVLSLSGIVYSRSVRVGGDKMDEAIISYMRRHHNLLIGETTA
ERIKKEIGTARAPGLSIDVKGRDLMQGVPREVRISEKQAADALAEPVGQI
VEAVKVALEATPPELASDIADKGIMLTGGGALLRGLDAEIRDHTGLPVTV
ADDPLSCVALGCGKVLEH
Ligand information
Ligand IDF90
InChIInChI=1S/C8H9ClN2S/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)
InChIKeyYOCWIHYZDHPSHD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(ccc1CSC(=N)N)Cl
OpenEye OEToolkits 1.7.0[H]/N=C(\N)/SCc1ccc(cc1)Cl
CACTVS 3.370NC(=N)SCc1ccc(Cl)cc1
ACDLabs 12.01Clc1ccc(cc1)CSC(=[N@H])N
FormulaC8 H9 Cl N2 S
Name4-chlorobenzyl carbamimidothioate
ChEMBLCHEMBL1229097
DrugBank
ZINCZINC000004536563
PDB chain4czk Chain A Residue 1337 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4czk Bacterial Actin Mreb Forms Antiparallel Double Filaments.
Resolution2.602 Å
Binding residue
(original residue number in PDB)		L17 G77 P112 E119 E140
Binding residue
(residue number reindexed from 1)		L9 G65 P100 E107 E128
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0000902 cell morphogenesis
GO:0008360 regulation of cell shape
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4czk, PDBe:4czk, PDBj:4czk
PDBsum4czk
PubMed24843005
UniProtA0A0H3C7V4|MREB_CAUVN Cell shape-determining protein MreB (Gene Name=mreB)

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