Structure of PDB 8uhw Chain E Binding Site BS01

Receptor Information
>8uhw Chain E (length=859) Species: 637887 (Acetivibrio thermocellus DSM 1313) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDNVEKLEKALKRLREAQSVYATYTQEQVDKIFFEAAMAANKMRIPLAKM
AVEETGMGVVEDKVIKNHYASEYIYNAYKNTKTCGVIEEDPAFGIKKIAE
PLGVIAAVIPTTNPTSTAIFKTLIALKTRNAIIISPHPRAKNSTIEAAKI
VLEAAVKAGAPEGIIGWIDVPSLELTNLVMREADVILATGGPGLVKAAYS
SGKPAIGVGAGNTPAIIDDSADIVLAVNSIIHSKTFDNGMICASEQSVIV
LDGVYKEVKKEFEKRGCYFLNEDETEKVRKTIIINGALNAKIVGQKAHTI
ANLAGFEVPETTKILIGEVTSVDISEEFAHEKLCPVLAMYRAKDFDDALD
KAERLVADGGFGHTSSLYIDTVTQKEKLQKFSERMKTCRILVNTPSSQGG
IGDLYNFKLAPSLTLGCGSWGGNSVSDNVGVKHLLNIKTVAERRENMLWF
RTPEKIYIKRGCLPVALDELKNVMGKKKAFIVTDNFLYNNGYTKPITDKL
DEMGIVHKTFFDVSPDPSLASAKAGAAEMLAFQPDTIIAVGGGSAMDAAK
IMWVMYEHPEVDFMDMAMRFMDIRKRVYTFPKMGQKAYFIAIPTSAGTGS
EVTPFAVITDEKTGIKYPLADYELLPDMAIVDADMMMNAPKGLTAASGID
ALTHALEAYVSMLATDYTDSLALRAIKMIFEYLPRAYENGASDPVAREKM
ANAATIAGMAFANAFLGVCHSMAHKLGAFYHLPHGVANALMINEVIRFNS
SEAPTKMGTFPQYDHPRTLERYAEIADYIGLKGKNNEEKVENLIKAIDEL
KEKVGIRKTIKDYDIDEKEFLDRLDEMVEQAFDDQCTGTNPRYPLMNEIR
QMYLNAYYG
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain8uhw Chain E Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8uhw Structural characterization and dynamics of AdhE ultrastructures from Clostridium thermocellum: A containment strategy for toxic intermediates
Resolution3.28 Å
Binding residue
(original residue number in PDB)		D660 H664 H730 H744
Binding residue
(residue number reindexed from 1)		D650 H654 H720 H734
Annotation score4
External links