Structure of PDB 4e5v Chain B Binding Site BS01

Receptor Information
>4e5v Chain B (length=279) Species: 411477 (Parabacteroides merdae ATCC 43184) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPIKTLLITGQNNHNWQVSHVVLKQILENSGRFDVDFVISPEQGKDMSGF
VLDFSPYQLVVLDYNGDSWPEETNRRFLEYVQNGGGVVIYHAADNAFSKW
PEFNRICALGGWEGRNENSGPYVYWKDGKLVKDSSAGPGGSHGRQHEYVL
NGRDKVHPVVKGLPLKWRHAKDELYDRMRGPGNIRDILYTAYSDKETNGS
GREEPLVFTVDYGNARIFHTMLGHAGATTEDNIAMQCTGFQVLLLRGAEW
AATGKVTQKVPKDFPTETTCSYRKDYKEN
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4e5v Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4e5v Crystal structure of a Putative thua-like protein (PARMER_02418) from Parabacteroides merdae ATCC 43184 at 1.75 A resolution
Resolution1.75 Å
Binding residue
(original residue number in PDB)
H39 H116 E198 H249
Binding residue
(residue number reindexed from 1)
H14 H91 E173 H224
Annotation score4
External links