MolNFT v2 · #121688 · protein

Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372

5HTC: “Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372”. X-ray diffraction at 1.5, 2 ligands (66M, NA). MolNFT v2 #121688 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5HTC
Type: protein
Length: 334 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.5
Source: Homo sapiens; SYNTHETIC CONSTRUCT
UniProt: Q8TF76
Ligands: 66M, NA

Structure

x-ray diffraction · resolution 1.5 · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	328	—	Q8TF76
C	—	protein	6	—	—

Ligands and binding sites

66M · (2R)-2-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name) · ligand · chains A, C
NA · Sodium ion · metal · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A
DMS · Dimethyl sulfoxide · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

5HTC · Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor arc-3372 · the same entry in another collection · chain A against A, TM-score 1.00
Q8TF76 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase haspin (Q8TF76) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q8TF76
Elsewhere: RCSB PDB 5HTC · PDBe 5HTC · UniProt Q8TF76

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