MolNFT v1 · #2671 · protein

Crystal structure of an hdac homolog complexed with trichostatin a

1C3R · Hdlp (histone deacetylase-like protein): “Crystal structure of an hdac homolog complexed with trichostatin a”. X-ray diffraction, 2 ligands (TSN, ZN), 3 pockets (best druggability 0.89). MolNFT v1 #2671 on GenesisL1: 3D structure…

PDB: 1C3R
Type: protein
Length: 744 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hdlp (histone deacetylase-like protein)
UniProt: O67135
Ligands: TSN, ZN
Pockets: 3 · best druggability 0.89

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Hdlp (histone deacetylase-like protein)	protein	372	41% helix, 13% strand	O67135

Ligands and binding sites

TSN · Trichostatin A · ligand · 2 copies · chains A, B
ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	958	0.89	0.90	123	TSN
2	399	0.73	0.84	45	empty
3	50	0.27	0.74	16	empty

Interfaces

1 interface between chains.

A–B · 851 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

1C3R · Crystal structure of an hdac homolog complexed with trichostatin a · the same entry in another collection · chain A against A, TM-score 1.00

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 O67135
Elsewhere: RCSB PDB 1C3R · PDBe 1C3R · UniProt O67135

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