Zinc in PDB 1t67: Crystal Structure of Human HDAC8 Complexed with Ms-344

The structure of Crystal Structure of Human HDAC8 Complexed with Ms-344, PDB code: 1t67 was solved by J.R.Somoza, R.J.Skene, B.A.Katz, C.Mol, J.D.Ho, A.J.Jennings, C.Luong, A.Arvai, J.J.Buggy, E.Chi, J.Tang, B.-C.Sang, E.Verner, R.Wynands, E.M.Leahy, D.R.Dougan, G.Snell, M.Navre, M.W.Knuth, R.V.Swanson, D.E.Mcree, L.W.Tari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.01 / 2.31
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.644, 80.644, 105.523, 90.00, 90.00, 120.00
R / Rfree (%)	21.2 / 27.4

The structure of Crystal Structure of Human HDAC8 Complexed with Ms-344 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of Human HDAC8 Complexed with Ms-344 (pdb code 1t67). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Human HDAC8 Complexed with Ms-344, PDB code: 1t67:

Zinc binding site 1 out of 1 in the Crystal Structure of Human HDAC8 Complexed with Ms-344


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human HDAC8 Complexed with Ms-344 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn378 b:46.9 occ:1.00 OD2 A:ASP178 2.0 33.3 1.0 O4 A:B3N381 2.0 52.7 1.0 OD2 A:ASP267 2.0 41.5 1.0 O2 A:B3N381 2.0 53.8 1.0 ND1 A:HIS180 2.1 33.5 1.0 C1 A:B3N381 2.6 55.2 1.0 N3 A:B3N381 2.6 54.9 1.0 CG A:ASP178 2.9 34.1 1.0 CE1 A:HIS180 2.9 33.8 1.0 CG A:ASP267 3.1 39.2 1.0 OD1 A:ASP178 3.1 30.7 1.0 CG A:HIS180 3.2 33.5 1.0 OD1 A:ASP267 3.5 38.8 1.0 CB A:HIS180 3.6 33.3 1.0 N A:HIS180 3.7 34.0 1.0 CA A:GLY304 3.9 35.5 1.0 NE2 A:HIS180 4.1 35.8 1.0 C5 A:B3N381 4.1 55.6 1.0 CD2 A:HIS180 4.2 36.7 1.0 OH A:TYR306 4.2 33.2 1.0 N A:LEU179 4.2 34.5 1.0 N A:GLY304 4.2 35.6 1.0 CA A:HIS180 4.3 33.4 1.0 CB A:ASP178 4.3 34.0 1.0 CB A:ASP267 4.4 37.0 1.0 NE2 A:HIS142 4.5 31.1 1.0 CB A:LEU179 4.5 34.0 1.0 C6 A:B3N381 4.5 55.6 1.0 CE1 A:TYR306 4.6 33.4 1.0 C A:LEU179 4.6 33.9 1.0 CA A:LEU179 4.6 34.2 1.0 CZ A:TYR306 4.9 35.2 1.0 CE1 A:HIS142 4.9 30.7 1.0 C A:ASP178 5.0 34.3 1.0

J.R.Somoza, R.J.Skene, B.A.Katz, C.Mol, J.D.Ho, A.J.Jennings, C.Luong, A.Arvai, J.J.Buggy, E.Chi, J.Tang, B.-C.Sang, E.Verner, R.Wynands, E.M.Leahy, D.R.Dougan, G.Snell, M.Navre, M.W.Knuth, R.V.Swanson, D.E.Mcree, L.W.Tari. Structural Snapshots of Human HDAC8 Provide Insights Into the Class I Histone Deacetylases Structure V. 12 1325 2004.
ISSN: ISSN 0969-2126
PubMed: 15242608
DOI: 10.1016/J.STR.2004.04.012