Zinc in PDB 1tfq: uc(Nmr) Structure of An Antagonists of the Xiap-Caspase-9 Interaction Complexed to the BIR3 Domain of Xiap

The binding sites of Zinc atom in the uc(Nmr) Structure of An Antagonists of the Xiap-Caspase-9 Interaction Complexed to the BIR3 Domain of Xiap (pdb code 1tfq). 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 uc(Nmr) Structure of An Antagonists of the Xiap-Caspase-9 Interaction Complexed to the BIR3 Domain of Xiap, PDB code: 1tfq:

Zinc binding site 1 out of 1 in the uc(Nmr) Structure of An Antagonists of the Xiap-Caspase-9 Interaction Complexed to the BIR3 Domain of Xiap


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of uc(Nmr) Structure of An Antagonists of the Xiap-Caspase-9 Interaction Complexed to the BIR3 Domain of Xiap within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn999 b:0.2 occ:1.00 SG A:CYS300 2.1 0.3 1.0 SG A:CYS327 2.1 0.4 1.0 SG A:CYS303 2.1 0.2 1.0 ND1 A:HIS320 2.2 0.2 1.0 CE1 A:HIS320 2.3 0.3 1.0 HE1 A:HIS320 2.3 0.3 1.0 HB3 A:CYS303 3.2 1.0 1.0 HB3 A:CYS300 3.2 0.6 1.0 CG A:HIS320 3.2 0.2 1.0 CB A:CYS300 3.3 0.4 1.0 CB A:CYS303 3.3 0.6 1.0 NE2 A:HIS320 3.3 0.3 1.0 HB2 A:CYS300 3.7 0.7 1.0 CB A:CYS327 3.7 0.3 1.0 CD2 A:HIS320 3.8 0.2 1.0 HB2 A:CYS303 3.8 1.0 1.0 HB2 A:HIS320 3.8 0.3 1.0 HB2 A:CYS327 3.9 0.5 1.0 HE2 A:HIS320 4.1 0.4 1.0 CB A:HIS320 4.1 0.2 1.0 HA A:CYS327 4.2 0.3 1.0 O A:GLY304 4.4 0.4 1.0 CA A:CYS327 4.4 0.3 1.0 O A:TYR324 4.4 0.3 1.0 H A:GLY326 4.4 0.3 1.0 H A:PHE301 4.5 0.3 1.0 HB3 A:CYS327 4.5 0.4 1.0 H A:CYS303 4.5 0.6 1.0 CA A:CYS303 4.6 0.4 1.0 N A:CYS327 4.6 0.3 1.0 CA A:CYS300 4.6 0.3 1.0 H A:CYS327 4.7 0.4 1.0 H A:GLY304 4.7 0.6 1.0 O A:PHE301 4.7 1.5 1.0 HA A:CYS300 4.7 0.3 1.0 HB3 A:HIS320 4.8 0.3 1.0 HD2 A:HIS320 4.8 0.3 1.0 N A:CYS303 4.9 0.5 1.0 N A:PHE301 4.9 0.3 1.0 O A:GLY288 4.9 0.3 1.0 C A:CYS303 4.9 0.3 1.0 N A:GLY304 5.0 0.4 1.0

T.K.Oost, C.Sun, R.C.Armstrong, A.S.Al-Assaad, S.F.Betz, T.L.Deckwerth, H.Ding, S.W.Elmore, R.P.Meadows, E.T.Olejniczak, A.Oleksijew, T.Oltersdorf, S.H.Rosenberg, A.R.Shoemaker, K.J.Tomaselli, H.Zou, S.W.Fesik. Discovery of Potent Antagonists of the Antiapoptotic Protein Xiap For the Treatment of Cancer. J.Med.Chem. V. 47 4417 2004.
ISSN: ISSN 0022-2623
PubMed: 15317454
DOI: 10.1021/JM040037K