Structure of PDB 3cpx Chain A Binding Site BS01

Receptor Information
>3cpx Chain A (length=309) Species: 269798 (Cytophaga hutchinsonii ATCC 33406) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENLYFQGMQLLKELCSIHAPSGNEEPLKDFILEYIRSNAGSWSYQPVIYA
DNDLQDCIVLVFGNPRTAVFAHMDSIGFTVSYNNHLHPIGSPSAKEGYRL
VGKDSNGDIEGVLKIVDEEWMLETDRLIDRGTEVTFKPDFREEGDFILTP
YLDDRLGVWTALELAKTLEHGIIAFTCWEEHGGGSVAYLARWIYETFHVK
QSLICDITWVTEGVEAGKGVAISMRDRMIPRKKYVNRIIELARQTDIPFQ
LEVEGAGASDGRELQLSPYPWDWCFIGAPEKDAHTPNECVHKKDIESMVG
LYKYLMEKL
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 chain3cpx Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3cpx Crystal structure of putative M42 glutamyl aminopeptidase (YP_676701.1) from Cytophaga hutchinsonii ATCC 33406 at 2.39 A resolution
Resolution2.39 Å
Binding residue
(original residue number in PDB)		H65 D146 E172 D199
Binding residue
(residue number reindexed from 1)		H72 D153 E179 D206
Annotation score4
External links