Structure of PDB 8rck Chain B Binding Site BS02

Receptor Information
>8rck Chain B (length=2036) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRFYDQLNHHIFELERKGGILAIASLIGVEGGNATRIGRFANYLRNLLPS
NDPVVMEMASKAIGRLAMAGDTFTAEYVEFEVKRALEWLEGRRHAAVLVL
RELAISVPTFFFQQVQPFFDNIFVAVWDPKQAIREGAVAALRACLILTTQ
RWYRHTFEEAEKGFIHGALLILNELVRISSMEGERLREEMEEISLIQMTI
LNLLPRLAAFRPTQYLQDTMNHVLSCERTAAFQALGLLSVAVRSEFKVYL
PRVLDIIRAALPPKVDATVFTCISMLARIQQDIKELLEPMLAVGLSPALT
AVLYDLSRQIPQLKKDIQDGLLKMLSLVLMHDVGSITLALRTLGSFEFEL
TQFVRHCADHFLNSEHKEIRMEAARTCSRLLTPSVSQTAVQVVADVLSKL
LVVGITDPDPDIRYCVLASLDERFDAHLAQAENLQALFVALNDQVFEIRE
LAICTVGRLSSMNPAFVMPFLRKMLIQILTELEHSGIGRIKEQSARMLGH
LVSNAPRLIRPYMEPILKALILKLKDPNPGVINNVLATIGELAQVSGLEM
RKWVDELFIIIMDMLQDSSLLAKRQVALWTLGQLVASTGYVVEPYRKYPT
LLEVLLNFLKTEQNQGTRREAIRVLGLLGALDPYKHKVNIEMLVNMGNLP
LDEFYPAVSMVALMRIFRDQSLSHHHTMVVQAITFIFKSLGLKCVQFLPQ
VMPTFLNVIRVCDGAIREFLFQQLGMLVSFVKSHIRPYMDEIVTLMREFW
VMNTSIQSTIILLIEQIVVALGGEFKLYLPQLIPHMLRVFMHDNSPGRIV
SIKLLAAIQLFGANLDDYLHLLLPPIVKLFDAPEAPLPSRKAALETVDRL
TESLDFTDYASRIIHPIVRTLDQSPELRSTAMDTLSSLVFQLGKKYQIFI
PMVNKVLVRHRINHQRYDVLICRIVKGYTLSTINLQKAWGAARRVSKDDW
LEWLRRLSLELLKDSSSPSLRSCWALAQAYNPMARDLFNAAFVSCWSELN
EDQQDELIRSIELALTSQDIAEVTQTLLNLAEFMEHSDKGPLPLRDDNGI
VLLGERAAKCRAYAKALHYKELEFQKGPTPAILESLISINNKLQQPEAAA
GVLEYAMKHFGARMAAAAAWGLSMEEYTCMIPRDTHDGAFYRALALHQDL
FSLAQQCIDKARDLLDAELTAMAGESYSRAYGAMVSCHMLSELEEVIQYK
LVPERREIIRQIWWERLQGCQRIVEDWQKILMVRSLVVSPHEDMRTWLKY
ASLCGKSGRLALAHKTLVLLLGVDPSRQLDHPLPTVHPQVTYAYMKNMWK
SARKIDAFQHMQHFVQTMQQQAQHAIATEDQQHKQELHKLMARCFLKLGE
WQLNLQGINESTIPKVLQYYSAATEHDRSWYKAWHAWAVMNFEAVLHYKH
QNQARDEKKKVTEDLSKTLLMYTVPAVQGFFRSISLSRGNNLQDTLRVLT
LWFDYGHWPDVNEALVEGVKAIQIDTWLQVIPQLIARIDTPRPLVGRLIH
QLLTDIGRYHPQALIYPLTVASKSTTTARHNAANKILKNMCEHSNTLVQQ
AMMVSEELIRVAILWHEMWHEGLEEASRLYFGERNVKGMFEVLEPLHAMM
ERGPQTLKETSFNQAYGRDLMEAQEWCRKYMKSGNVKDLTQAWDLYYHVF
RRISKQLPQLTSLELQYVSPKLLMCRDLELAVPGTYDPNQPIIRIQSIAP
SLQVITSKQRPRKLTLMGSNGHEFVFLLKGHEDLRQDERVMQLFGLVNTL
LANDPTSLRKNLSIQRYAVIPLSTNSGLIGWVPHCDTLHALIRDYREKKK
ILLNIEHRIMLRMAPDYDHLTLMQKVEVFEHAVNNTAGDDLAKLLWLKSP
SSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDRLSGKILHIDF
GDCFEVAMTREKFPEKIPFRLTRMLTNAMEVTGLDGNYRITCHTVMEVLR
EHKDSVMAVLEAFVYDPLLNWRLMDTNTALNKKAIQIINRVRDKLTGRDF
SHDDTLDVPTQVELLIKQATSHENLCQCYIGWCPFW
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 chain8rck Chain B Residue 3002 [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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PDB8rck CryoEM structure of mTORC1 with a paediatric kidney cancer-associated 1455-EWED-1458 duplication in mTOR, Focused on one protomer copy.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		K2187 E2190
Binding residue
(residue number reindexed from 1)		K1729 E1732
Annotation score1
External links
PDB RCSB:8rck, PDBe:8rck, PDBj:8rck
PDBsum8rck
PubMed
UniProtP42345|MTOR_HUMAN Serine/threonine-protein kinase mTOR (Gene Name=MTOR)

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