Structure of PDB 4czg Chain A Binding Site BS01

Receptor Information
>4czg Chain A (length=322) Species: 155892 (Caulobacter vibrioides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISNDIAIDLGTANTLIYQKGKGIVLNEPSVVALRNVGGRKVVHAVGIEAK
QMLGRTPGHMEAIRPMRDGVIADFEVAEEMIKYFIRKVHNRKGSGNPKVI
VCVPSGATAVERRAINDSCLNAGARRVGLIDEPMAAAIGAGLPIHEPTGS
MVVDIGGGTTEVAVLSLSGIVYSRSVRVGGDKMDEAIISYMRRHHNLLIG
ETTAERIKKEIGTARAPGLSIDVKGRDLMQGVPREVRISEKQAADALAEP
VGQIVEAVKVALEATPPELASDIADKGIMLTGGGALLRGLDAEIRDHTGL
PVTVADDPLSCVALGCGKVLEH
Ligand information
Ligand IDQH3
InChIInChI=1S/C8H8Cl2N2S/c9-6-2-1-5(3-7(6)10)4-13-8(11)12/h1-3H,4H2,(H3,11,12)
InChIKeyLZTCFLDZLBOLDW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6[H]/N=C(\N)/SCc1ccc(c(c1)Cl)Cl
CACTVS 3.385NC(=N)SCc1ccc(Cl)c(Cl)c1
OpenEye OEToolkits 1.7.6c1cc(c(cc1CSC(=N)N)Cl)Cl
ACDLabs 12.01Clc1ccc(cc1Cl)CSC(=[N@H])N
FormulaC8 H8 Cl2 N2 S
Name3,4-dichlorobenzyl carbamimidothioate
ChEMBLCHEMBL1229059
DrugBank
ZINCZINC000004013992
PDB chain4czg Chain A Residue 1335 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4czg Bacterial Actin Mreb Forms Antiparallel Double Filaments.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		L17 M74 G77 P112 A115 I123 E140
Binding residue
(residue number reindexed from 1)		L9 M66 G69 P104 A107 I115 E132
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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Cellular Component
External links
PDB RCSB:4czg, PDBe:4czg, PDBj:4czg
PDBsum4czg
PubMed24843005
UniProtA0A0H3C7V4|MREB_CAUVN Cell shape-determining protein MreB (Gene Name=mreB)

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