Structure of PDB 7o2b Chain A

Receptor sequence

>7o2bA (length=427) Species: 9606 (Homo sapiens) [Search protein sequence]

EPLKVEKFATANRGNGLRAVTPLRPGELLFRSDPLAYTVCKGSRGVVCDR
CLLGKEKLMRCSQCRVAKYCSAKCQKKAWPDHKRECKCLKSCKPRYPPDS
VRLLGRVVFKLMDGAPSESEKLYSFYDLESNINKLTEDRKEGLRQLVMTF
QHFMREEIQDASQLPPAFDLFEAFAKVICNSFTICNAEMQEVGVGLYPSI
SLLNHSCDPNCSIVFNGPHLLLRAVRDIEVGEELTICYLDMLMTSEERRK
QLRDQYCFECDCFRCQTQDKDADMLTGDEQVWKEVQESLKKIEELKAHWK
WEQVLAMCQAIISSNSERLPDINIYQLKVLDCAMDACINLGLLEEALFYG
TRTMEPYRIFFPGSHPVRGVQVMKVGKLQLHQGMFPQAMKNLRLAFDIMR
VTHGREHSLIEDLILLLEECDANIRAS

3D structure

PDB

7o2b Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.

Chain

Resolution

2.03 Å

3D
structure

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Enzymatic activity

Enzyme Commision number

2.1.1.354: [histone H3]-lysine(4) N-trimethyltransferase.

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)
BS01	UZQ	A	N181 F183 T184 C186 F216 Y239 D241 Y257 V368	N180 F182 T183 C185 F215 Y238 D240 Y256 V367
BS02	ZN	A	C49 C52 C71 C75	C48 C51 C70 C74
BS03	ZN	A	C65 H83	C64 H82
BS04	ZN	A	C208 C261 C263 C266	C207 C260 C262 C265
BS05	SAM	A	R14 N16 Y124 E130 N132 C180 N181 S202 L203 N205 H206 Y239 Y257 F259	R13 N15 Y123 E129 N131 C179 N180 S201 L202 N204 H205 Y238 Y256 F258

Gene Ontology

	Molecular Function
GO:0000978	RNA polymerase II cis-regulatory region sequence-specific DNA binding
GO:0000993	RNA polymerase II complex binding
GO:0001162	RNA polymerase II intronic transcription regulatory region sequence-specific DNA binding
GO:0005515	protein binding
GO:0008168	methyltransferase activity
GO:0042054	histone methyltransferase activity
GO:0046872	metal ion binding
GO:0140939	histone H4 methyltransferase activity
GO:0140954	histone H3K36 dimethyltransferase activity
GO:0140999	histone H3K4 trimethyltransferase activity

	Biological Process
GO:0006325	chromatin organization
GO:0006334	nucleosome assembly
GO:0014904	myotube cell development
GO:0032259	methylation
GO:0045184	establishment of protein localization
GO:0045944	positive regulation of transcription by RNA polymerase II
GO:0071549	cellular response to dexamethasone stimulus

	Cellular Component
GO:0005634	nucleus
GO:0005654	nucleoplasm
GO:0005737	cytoplasm
GO:0005829	cytosol

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Molecular Function

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Cellular Component

External links

PDB	RCSB:7o2b, PDBe:7o2b, PDBj:7o2b
PDBsum	7o2b
PubMed	34154424
UniProt	Q9H7B4\|SMYD3_HUMAN Histone-lysine N-methyltransferase SMYD3 (Gene Name=SMYD3)

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