Structure of PDB 5gsa Chain B

Receptor sequence

>5gsaB (length=363) Species: 9606 (Homo sapiens) [Search protein sequence]

CKYSFKCVNSLKEDHNQPLFGVQFNWHSKEGDPLVFATVGSNRVTLYECH
SQGEIRLLQSYVDADADENFYTCAWTYDSNTSHPLLAVAGSRGIIRIINP
ITMQCIKHYVGHGNAINELKFHPRDPNLLLSVSKDHALRLWNIQTDTLVA
IFGGVEGHRDEVLSADYDLLGEKIMSCGMDHSLKLWRINSKRMMNAIKES
YDYNPNKTNRPFISQKIHFPDFSTRDIHRNYVDCVRWLGDLILSKSCENA
IVCWKPGKMEDDIDKIKPSESNVTILGRFDYSQCDIWYMRFSMDFWQKML
ALGNQVGKLYVWDLEVEDPHKAKCTTLTHHKCGAAIRQTSFSRDSSILIA
VCDDASIWRWDRL

3D structure

PDB

5gsa An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of

Chain

Resolution

2.49 Å

3D
structure

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Enzymatic activity

Enzyme Commision number

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	peptide	B	W103 H104 S105 K106 E107 D109 Y154 S159 H160 P161 P177 R201 L246 L315 G316 D317 L318 L353 F372 W373 Q374 L391 E392 E394 R420	W26 H27 S28 K29 E30 D32 Y77 S82 H83 P84 P100 R124 L169 L238 G239 D240 L241 L276 F295 W296 Q297 L314 E315 E317 R343
BS02	73K	B	F97 Y148 N194 K211 L240 D310 Y365 R367 R414	F20 Y71 N117 K134 L163 D233 Y288 R290 R337	MOAD: Kd=82.5nM BindingDB: Kd=82nM,IC50=53.5nM

External links

PDB	RCSB:5gsa, PDBe:5gsa, PDBj:5gsa
PDBsum	5gsa
PubMed	28135235
UniProt	O75530\|EED_HUMAN Polycomb protein EED (Gene Name=EED)

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