Structure of PDB 6ui4 Chain A Binding Site BS01

Receptor Information
>6ui4 Chain A (length=692) Species: 229533 (Fusarium graminearum PH-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIGVSDLTLLSKVSNEAINENLKKRFEGREIYTYIGHVLVSVNPFRDLGI
YTDDVLQSYMGKNRLEMPPHVFAIAEASYYNMKAYSDNQCVIISGESGAG
KTEAAKRIMQYIASVSGGESGDIKQIKDMVLATNPLLESFGNAKTLRNNN
SSRFGKYLQIYFNTQGEPVGADITNYLLEKSRVVGQITNERNFHIFYQFA
KGASQQYRETFGVQKPETYVYTSRSKCLDVDGIDDLAEFEDTLNAMKVIG
LSQPEQDQIFRMLSAILWIGNIQFQEDQGGYAEVTDRSVVDFAAYLMEVT
PDQLIKGITIRILTPRNGEVIESPANPAQAQATRDALAMAIYSNLFDWIV
ERINKSLKARQPTTNTIGILDIYGFEIFEKNSFEQLCINYVNEKLQQIFI
QLTLKAEQEEYAREQIQWTPIKYFDNKVVCDLIEQIRPVGIFSAMKDATK
TAHADPAACDRTFMQSINGMSHAHLTPRQGNFIIKHYAGDVTYTVEGITD
KNKDQLLKGLLALFQHSGNDFVHTLFPRPVDTDNRKQPPSAGDRIRASAN
ALVDTLMKCQPSYIRTIKPNENKSPTEYNGPNVLHQIKYLGLQENVRIRR
AGFAYRQDFDKFVDRFFLLSPATSYAGEFTWEGTTEAAVKQILKDTSIPK
EEWQMGVTKAFIKAPETLFALEHMRDRYWHNMATRIQRMWRA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6ui4 Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ui4 Structural basis of Fusarium myosin I inhibition by phenamacril.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		T138 S188
Binding residue
(residue number reindexed from 1)		T102 S152
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003774 cytoskeletal motor activity
GO:0005524 ATP binding
Cellular Component
GO:0016459 myosin complex

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Molecular Function
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Cellular Component
External links
PDB RCSB:6ui4, PDBe:6ui4, PDBj:6ui4
PDBsum6ui4
PubMed32163521
UniProtI1RCT2

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