Structure of PDB 4gnd Chain A Binding Site BS02

Receptor Information
>4gnd Chain A (length=98) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKQMHEDYCFQCGDGGELVMCDKKDCPKAYHLLCLNLTQPPYGKWECPWH
QCDECSSAAVSFCEFCPHSFCKDHEKGALVPSALEGRLCCSEHDPMAP
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4gnd Chain A Residue 1502 [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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PDB4gnd The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition.
Resolution2.27 Å
Binding residue
(original residue number in PDB)		C1336 C1341 C1362 H1365
Binding residue
(residue number reindexed from 1)		C21 C26 C47 H50
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.370: [histone H3]-lysine(4) N-dimethyltransferase.
2.1.1.371: [histone H3]-lysine(27) N-dimethyltransferase.
External links
PDB RCSB:4gnd, PDBe:4gnd, PDBj:4gnd
PDBsum4gnd
PubMed23269674
UniProtQ9BZ95|NSD3_HUMAN Histone-lysine N-methyltransferase NSD3 (Gene Name=NSD3)

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