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Receptor Information

>6ks1 Chain A (length=286) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EFEGRWRVIPHDVLPDWLKDNDFLLHGHRPPMPSFRACFKSIFRIHTETG
NIWTHLLGCVFFLCLGIFYMFRPNISFVAPLQEKVVFGLFFLGAILCLSF
SWLFHTVYCHSEGVSRLFSKLDYSGIALLIMGSFVPWLYYSFYCNPQPCF
IYLIVICVLGIAAIIVSQWDMFATPQYRGVRAGVFLGLGLSGIIPTLHYV
ISEGFLKAATIGQIGWLMLMASLYITGAALYAARIPERFFPGKCDIWFHS
HQLFHIFVVAGAFVHFHGVSNLQEFRFMIGGGCSEE

Ligand ID

LPX

InChI

InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m0/s1

InChIKey

YVYMBNSKXOXSKW-FQEVSTJZSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=C(OCC(O)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCN)O
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O
CACTVS 3.341	CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P@@](O)(=O)OCCN
CACTVS 3.341	CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCCN

Formula

C21 H44 N O7 P

Name

(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate

PDB chain

6ks1 Chain A Residue 409 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6ks1 Human adiponectin receptor AdipoR1 assumes closed and open structures.
Resolution	2.4 Å
Binding residue (original residue number in PDB)	F132 R133 F136 W199
Binding residue (residue number reindexed from 1)	F35 R36 F39 W102
Annotation score	1

Enzyme Commision number

PDB	RCSB:6ks1, PDBe:6ks1, PDBj:6ks1
PDBsum	6ks1
PubMed	32796916
UniProt	Q86V24\|PAQR2_HUMAN Adiponectin receptor protein 2 (Gene Name=ADIPOR2)

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Structure of PDB 6ks1 Chain A Binding Site BS02