Mercury in PDB 1pj8: Structure of A Ternary Complex of Proteinase K, Mercury and A Substrate-Analogue Hexapeptide at 2.2 A Resolution

All present enzymatic activity of Structure of A Ternary Complex of Proteinase K, Mercury and A Substrate-Analogue Hexapeptide at 2.2 A Resolution:
3.4.21.64;

The structure of Structure of A Ternary Complex of Proteinase K, Mercury and A Substrate-Analogue Hexapeptide at 2.2 A Resolution, PDB code: 1pj8 was solved by A.K.Saxena, T.P.Singh, K.Peters, S.Fittkau, M.Visanji, K.S.Wilson, C.Betzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.20
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.280, 68.280, 107.870, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Mercury atom in the Structure of A Ternary Complex of Proteinase K, Mercury and A Substrate-Analogue Hexapeptide at 2.2 A Resolution (pdb code 1pj8). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Structure of A Ternary Complex of Proteinase K, Mercury and A Substrate-Analogue Hexapeptide at 2.2 A Resolution, PDB code: 1pj8:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Structure of A Ternary Complex of Proteinase K, Mercury and A Substrate-Analogue Hexapeptide at 2.2 A Resolution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Structure of A Ternary Complex of Proteinase K, Mercury and A Substrate-Analogue Hexapeptide at 2.2 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg600 b:13.1 occ:0.50 SG A:CYS73 2.6 11.1 1.0 CD2 A:HIS69 2.8 15.7 1.0 NE2 A:HIS69 2.8 15.2 1.0 CE1 A:HIS69 2.8 11.6 1.0 CG A:HIS69 2.8 6.3 1.0 ND1 A:HIS69 2.8 8.5 1.0 OD1 A:ASP39 2.8 7.7 1.0 O A:HIS69 2.9 3.2 1.0 C A:HIS69 3.2 5.6 1.0 CB A:CYS73 3.3 3.4 1.0 OD2 A:ASP39 3.5 4.8 1.0 CG A:ASP39 3.5 6.9 1.0 CB A:HIS69 3.7 8.2 1.0 CB A:SER132 3.8 10.3 1.0 N A:GLY70 3.8 7.4 1.0 CA A:HIS69 3.9 7.0 1.0 HG A:HG601 4.0 14.6 0.5 CE A:MET225 4.1 24.8 1.0 CA A:GLY70 4.2 8.8 1.0 N A:CYS73 4.2 4.0 1.0 OG A:SER132 4.3 11.6 1.0 CA A:CYS73 4.4 4.5 1.0 O A:SER132 4.6 12.4 1.0 CB A:SER224 4.6 13.8 1.0 O A:HOH328 4.8 9.4 1.0 O I:PRO282 4.8 39.0 1.0 O A:SER224 4.9 14.0 1.0 CB A:ASP39 4.9 8.4 1.0

Mercury binding site 2 out of 2 in the Structure of A Ternary Complex of Proteinase K, Mercury and A Substrate-Analogue Hexapeptide at 2.2 A Resolution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Structure of A Ternary Complex of Proteinase K, Mercury and A Substrate-Analogue Hexapeptide at 2.2 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg601 b:14.6 occ:0.50 CE A:MET225 2.4 24.8 1.0 ND1 A:HIS72 2.5 8.5 1.0 O A:HOH324 2.7 15.4 1.0 SG A:CYS73 2.8 11.1 1.0 N A:CYS73 3.1 4.0 1.0 SD A:MET225 3.3 12.8 1.0 CG A:HIS72 3.3 3.5 1.0 CA A:CYS73 3.3 4.5 1.0 C A:HIS72 3.3 3.3 1.0 CB A:HIS72 3.3 3.4 1.0 CE1 A:HIS72 3.5 4.9 1.0 CB A:CYS73 3.6 3.4 1.0 CG A:MET225 3.7 14.9 1.0 O A:HIS72 3.8 6.1 1.0 O A:HIS69 3.9 3.2 1.0 CA A:HIS72 4.0 4.3 1.0 HG A:HG600 4.0 13.1 0.5 CA A:MET225 4.2 11.8 1.0 CD1 A:ILE220 4.4 22.8 1.0 CD2 A:HIS72 4.5 9.2 1.0 CD2 A:HIS69 4.5 15.7 1.0 CB A:MET225 4.6 12.5 1.0 O A:SER224 4.6 14.0 1.0 NE2 A:HIS72 4.6 9.6 1.0 CG A:PRO228 4.7 7.3 1.0 O I:PRO282 4.7 39.0 1.0 C A:CYS73 4.8 5.5 1.0 OG1 A:THR76 4.8 4.6 1.0 N A:MET225 4.8 12.3 1.0 CG1 A:ILE220 4.8 17.1 1.0 NE2 A:HIS69 4.9 15.2 1.0 C A:SER224 5.0 12.9 1.0

A.K.Saxena, T.P.Singh, K.Peters, S.Fittkau, M.Visanji, K.S.Wilson, C.Betzel. Structure of A Ternary Complex of Proteinase K, Mercury, and A Substrate-Analogue Hexa-Peptide at 2.2 A Resolution Proteins V. 25 195 1996.
ISSN: ISSN 0887-3585
PubMed: 8811735
DOI: 10.1002/(SICI)1097-0134(199606)25:2<195::AID-PROT5>3.0.CO;2-H