Structure of PDB 8rpj Chain E Binding Site BS04

Receptor Information
>8rpj Chain E (length=608) Species: 1198452 (Janthinobacterium sp. HH01) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNKVKVAELVAEALENLGIQHAFGIIGAGNVHLFEAIARRGYTEIVCVHH
EQAACMAVQTYYRTNGRIAAALLTTGAGSTNGVTGVVSAWADSIPCIVIA
GNENSKFTFPENPLRMWGVQGYDSCQMVERVSKYQMRVTKMERAVYELEK
GVHLALEGRPGPTWIEIPMDIQSGRIDPATLEHYVAPPAPDYLTPAVAAQ
VDSVLAALAKAERPVLWLGNGIRLAGGERLLKPLLEKLGSPALVSWAGID
MLDSSHPLVFGRAGVYGQRAANFILQNSDYVLAIGTRLAIPQIGYDLNEL
ARLARIDVVDIDGDEAIKHAKRTQENIVCDARVFIEALLARLNAADAPAI
ASKADWVAKCRAYEEQFPWVGAEHADPEGFINSYRFMERLNGFFKDDQVV
VTDMGTALLSGHQVLRFKEGQRFMTSTGLGEMGYGLPAALGVSFANDRGE
VMCLNCDGGMMMNLQELQTMVHHNLPIKLFIFNNDGYLMIKHTQKSLFKS
DYVGTDRKSGVSCPDFSRLAAAFDIPAYQIRGWDECDATLAKVQAHTGPV
ICEVFMHPQQLFSPKLGVVSRADGTLVSPPLEDLSPLIPRDVLEQAMIGG
MHEKSKTL
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 chain8rpj Chain E Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8rpj JhE from Janthinobacterium sp. HH01
Resolution1.9 Å
Binding residue
(original residue number in PDB)
D459 N486 G488
Binding residue
(residue number reindexed from 1)
D457 N484 G486
Annotation score4
External links