Crystal Structures of Human Jmjd2C Catalytic Domain Bound to Inhibitors
Cecatiello, V., Pasqualato, S.To be published.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
LYSINE-SPECIFIC DEMETHYLASE 4C | 349 | Homo sapiens | Mutation(s): 0  EC: 1.14.11 (PDB Primary Data), 1.14.11.66 (UniProt) | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q9H3R0 (Homo sapiens) Explore Q9H3R0  Go to UniProtKB:  Q9H3R0 | |||||
PHAROS:  Q9H3R0 GTEx:  ENSG00000107077  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q9H3R0 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 5 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
MMK Query on MMK | D [auth A], I [auth B] | 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid C15 H22 N4 O3 RTKGUAPXWDCFNW-BQYQJAHWSA-N | |||
ZN Query on ZN | E [auth A], J [auth B] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N | |||
EDO Query on EDO | G [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N | |||
NI Query on NI | C [auth A], H [auth B] | NICKEL (II) ION Ni VEQPNABPJHWNSG-UHFFFAOYSA-N | |||
CL Query on CL | F [auth A], K [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |
Length ( Å ) | Angle ( ˚ ) |
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a = 89.24 | α = 90 |
b = 95.92 | β = 90 |
c = 100.43 | γ = 90 |
Software Name | Purpose |
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PHENIX | refinement |
XDS | data reduction |
XSCALE | data scaling |
PHASER | phasing |