Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T23619 Target Info
Target Name Metastasis associated gene-1 (MTA1)
Synonyms Metastasisassociated protein MTA1; Metastasis-associated protein MTA1
Target Type Literature-reported Target
Gene Name MTA1
UniProt ID
MTA1_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Myo-inositol hexaphosphate Ligand Info
Structure Description HDAC1:MTA1 in complex with inositol-6-phosphate and a novel peptide inhibitor based on histone H4 PDB:5ICN
Method X-ray diffraction Resolution 3.30 Å Mutation No [1]
PDB Sequence
GEIRVGNRYQ
174
ADITDLLKEG
184
EEDGRDQSRL
194
ETQVWEAHNP
204
LTDKQIDQFL
214

VVARSVGTFA
224
RALDSLHMSA
242
AAASRDITLF
252
HAMDTLHKNI
262
YDISKAISAL
272

VPQGGPVLCR
282
DEMEEWSASE
292
ANLFEEALEK
302
YGKDFTDIQQ
312
DFLPWKSLTS
322

IIEYYYMWKT
332
TDRYVQQK
Residue
Distance (Å)
LYS305
3.015
TYR327
2.767
TYR328
3.071
Residue
Distance (Å)
LYS331
2.980
TYR336
4.014
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: Mesitylene Ligand Info
Structure Description STRUCTURE OF THE HUMAN RBAP48 in complex with a macrocyclic peptide cyclized via a xylene linker attached to two cysteines PDB:6ZRD
Method X-ray diffraction Resolution 2.50 Å Mutation No [2]
PDB Sequence
CTKRCARRPY
11
KPCA
Residue
Distance (Å)
CYS2
1.849
CYS6
1.844
Residue
Distance (Å)
PRO13
4.132
CYS14
1.763
Ligand Name: p-Xylene Ligand Info
Structure Description Structure of the human RBAP48 in complex with a macrocyclic peptide cyclized via a xylene linker attached to two cysteines PDB:6ZRC
Method X-ray diffraction Resolution 2.60 Å Mutation No [2]
PDB Sequence
CTKRAARRPY
11
KPCA
Click to Show 3D Structure of This Binding Site
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Residue
Distance (Å)
CYS2
1.808
THR3
3.392
ALA6
4.566
Residue
Distance (Å)
CYS14
1.777
ALA15
4.469
References  Top
REF 1 Insights into the activation mechanism of class I HDAC complexes by inositol phosphates. Nat Commun. 2016 Apr 25;7:11262.
REF 2 Structure Based Design of Bicyclic Peptide Inhibitors of RbAp48. Angew Chem Int Ed Engl. 2021 Jan 25;60(4):1813-1820.

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