PDB Entry (4mzf)

Download

Visualizer: MichelaNGLo

PDB ID: 4mzf Resolution: 2.1 Å Exp. Method: X-RAY DIFFRACTION
PMID: 24589551 DOI: 10.1101/gad.233239.113
Protein
Protein Name: Spindlin-1
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: Q9Y657 (SPIN1_HUMAN) Organism: Homo sapiens
Gene Symbol: SPIN1 Gene ID: 10927
Pocket Descriptors
Volume: 170.24 Depth: 9.54987
Hydrophobicity: 0.762712 Drug Score: 0.152072
Pocket Similarity: Calculate
Ligand
Ligand Name:   NG,NG-DIMETHYL-L-ARGININE
HET ID:   DA2 PubChem:   123831
DrugBank:   DB01686 ChEMBL:   CHEMBL457530
Canonical SMILES:   OC(=O)[C@H](CCCNC(=N)N(C)C)N
Standard InChI:   InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1
Molecular Formula:   C8H18N4O2 Mol. Weight:   202.25412 Heavy Atoms:   14
Charge:   0 Is Chiral:   True logP:   0.4554
HBD:   4 HBA:   6 TPSA:   102.44
#Bonds:   14 #Rotatable Bonds:   7 Shape Complexity:   0.75
Stereocomplexity:   0.125 Ligand Type:   H3K4me3R8me2a
Binding Affinity
-