Zinc in PDB 3u79: Al-103 Y32F Y96F

The structure of Al-103 Y32F Y96F, PDB code: 3u79 was solved by A.C.Dicostanzo, J.R.Thompson, M.Ramirez-Alvarado, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.06 / 1.62
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	128.020, 128.020, 98.840, 90.00, 90.00, 120.00
R / Rfree (%)	16.9 / 22.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Zinc atom in the Al-103 Y32F Y96F (pdb code 3u79). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 16 binding sites of Zinc where determined in the Al-103 Y32F Y96F, PDB code: 3u79:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 16 in the Al-103 Y32F Y96F


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Al-103 Y32F Y96F within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn110 b:33.2 occ:0.74 H2 A:SER-1 1.3 47.6 1.0 N A:SER-1 2.0 39.7 1.0 OXT A:ACT112 2.0 34.4 1.0 O A:SER-1 2.0 36.5 1.0 NE2 A:HIS92 2.0 27.1 0.8 H1 A:SER-1 2.0 47.6 1.0 O A:HOH781 2.1 39.7 0.9 O A:ACT112 2.6 36.4 1.0 C A:ACT112 2.7 37.8 1.0 C A:SER-1 2.7 41.4 1.0 CA A:SER-1 2.8 40.6 1.0 H3 A:SER-1 2.8 47.6 1.0 CE1 A:HIS92 3.0 30.3 0.8 HD1 A:HIS92 3.0 35.7 0.2 CD2 A:HIS92 3.1 27.4 0.8 HE1 A:HIS92 3.1 36.3 0.8 HA A:SER-1 3.2 48.6 1.0 HD2 A:HIS92 3.3 32.9 0.8 ND1 A:HIS92 3.7 29.8 0.2 HG A:SER-1 3.7 64.4 1.0 HE1 A:HIS92 3.8 38.1 0.2 O A:HOH455 3.8 36.0 1.0 HD21 A:ASN93 3.8 32.4 1.0 HB3 A:ASN93 3.9 32.4 1.0 HB2 A:ASN93 4.0 32.4 1.0 N A:THR0 4.0 43.5 1.0 HD11 A:ILE2 4.0 42.5 1.0 CH3 A:ACT112 4.1 36.2 1.0 CB A:SER-1 4.1 46.3 1.0 ND1 A:HIS92 4.1 29.9 0.8 CE1 A:HIS92 4.1 31.8 0.2 CG A:HIS92 4.2 25.5 0.8 OG A:SER-1 4.3 53.7 1.0 HA A:THR0 4.3 48.7 1.0 CB A:ASN93 4.4 27.0 1.0 H1 A:ACT112 4.4 43.4 1.0 O F:HOH655 4.5 41.7 1.0 H2 A:ACT112 4.5 43.4 1.0 HB3 A:SER-1 4.5 55.5 1.0 H A:THR0 4.6 52.2 1.0 ND2 A:ASN93 4.6 27.0 1.0 O A:HOH395 4.7 35.3 1.0 CA A:THR0 4.7 40.6 1.0 HB2 A:SER-1 4.8 55.5 1.0 H3 A:ACT112 4.8 43.4 1.0 HD1 A:HIS92 4.9 35.8 0.8 CD1 A:ILE2 4.9 35.4 1.0 HB3 A:HIS92 4.9 28.7 0.2 CG A:HIS92 5.0 26.3 0.2 HD12 A:ILE2 5.0 42.5 1.0

Zinc binding site 2 out of 16 in the Al-103 Y32F Y96F


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Al-103 Y32F Y96F within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn115 b:23.3 occ:1.00 OD2 G:ASP28 2.0 21.3 1.0 O A:HOH1319 2.1 17.1 0.9 O A:HOH1320 2.1 19.0 0.8 O G:HOH555 2.1 21.6 1.0 O G:HOH1068 2.2 27.2 1.0 OD2 A:ASP70 2.2 25.4 1.0 CG A:ASP70 3.0 20.0 1.0 CG G:ASP28 3.1 18.6 1.0 OD1 A:ASP70 3.1 19.1 1.0 HG1 A:THR69 3.4 25.2 1.0 OD1 G:ASP28 3.4 19.8 1.0 OG1 A:THR69 3.9 21.1 1.0 O G:HOH178 4.0 29.9 1.0 O G:HOH113 4.1 22.7 1.0 O G:HOH681 4.1 32.3 0.9 HB A:THR69 4.2 19.2 1.0 O A:HOH129 4.3 21.5 1.0 O A:HOH165 4.3 26.2 0.7 O A:THR69 4.3 16.1 1.0 O A:HOH749 4.4 31.9 1.0 CB G:ASP28 4.4 22.3 1.0 HA2 G:GLY68 4.4 24.1 1.0 CB A:ASP70 4.5 16.3 1.0 HB2 G:ASP28 4.5 26.7 1.0 HA G:SER30 4.5 22.8 1.0 CB A:THR69 4.6 16.1 1.0 HB2 A:ASP70 4.7 19.5 1.0 HG2 A:GLN24 4.7 19.4 1.0 HB3 G:ASP28 4.7 26.7 1.0 C A:THR69 4.7 15.4 1.0 HB3 A:GLN24 4.7 22.4 1.0 H G:SER30 4.8 25.2 1.0 O A:HOH165 4.9 36.5 0.3 O G:HOH505 4.9 38.7 1.0 HG3 A:GLN24 4.9 19.4 1.0 HA3 G:GLY68 5.0 24.1 1.0

Zinc binding site 3 out of 16 in the Al-103 Y32F Y96F


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Al-103 Y32F Y96F within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn111 b:43.0 occ:0.46 OD2 A:ASP28 2.0 40.6 1.0 OD1 A:ASP28 2.0 25.7 1.0 CG A:ASP28 2.2 30.5 1.0 OXT A:ACT113 2.3 47.2 1.0 O A:ACT113 2.5 40.8 1.0 O A:HOH1163 2.5 18.5 0.4 C A:ACT113 2.8 42.7 1.0 HA2 A:GLY68 3.4 22.8 1.0 HA A:SER30 3.5 22.9 0.4 HA A:SER30 3.5 23.2 0.6 H A:SER30 3.5 21.2 0.4 H A:SER30 3.5 21.2 0.6 O A:HOH499 3.6 41.5 1.0 HE22 G:GLN27 3.7 58.5 1.0 CB A:ASP28 3.7 24.5 1.0 O A:HOH930 3.9 35.6 0.8 HB3 A:ASP28 4.0 29.4 1.0 OG A:SER30 4.0 20.6 0.4 OE1 G:GLN27 4.0 51.1 1.0 HB2 A:ASP28 4.2 29.4 1.0 N A:SER30 4.2 17.7 1.0 CA A:SER30 4.2 19.1 0.4 CA A:SER30 4.2 19.3 0.6 HB2 A:SER30 4.2 23.7 0.6 HA3 A:GLY68 4.3 22.8 1.0 CA A:GLY68 4.3 19.1 1.0 CH3 A:ACT113 4.3 36.6 1.0 NE2 G:GLN27 4.4 48.7 1.0 HA A:ASP28 4.5 26.1 1.0 HG A:SER30 4.6 24.6 0.4 CD G:GLN27 4.6 45.4 1.0 CA A:ASP28 4.6 21.8 1.0 CB A:SER30 4.7 19.1 0.4 H1 A:ACT113 4.7 43.9 1.0 CB A:SER30 4.7 19.7 0.6 H3 A:ACT113 4.8 43.9 1.0 H2 A:ACT113 4.8 43.9 1.0 C A:ASP28 4.9 21.6 1.0 N A:GLY68 4.9 19.5 1.0 H A:GLY68 5.0 23.3 1.0

Zinc binding site 4 out of 16 in the Al-103 Y32F Y96F


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Al-103 Y32F Y96F within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn114 b:30.8 occ:0.74 OE1 F:GLU81 2.0 36.8 1.0 NE2 A:HIS92 2.0 33.9 0.2 O F:HOH1113 2.1 44.7 0.5 OE2 F:GLU81 2.1 36.9 1.0 O A:HOH930 2.1 35.6 0.8 O F:ACT113 2.2 35.4 1.0 CD F:GLU81 2.3 32.0 1.0 OXT F:ACT113 2.6 31.2 1.0 HE1 A:HIS92 2.7 38.1 0.2 CE1 A:HIS92 2.7 31.8 0.2 C F:ACT113 2.8 33.5 1.0 HD2 F:PRO80 3.2 30.1 1.0 CD2 A:HIS92 3.3 29.0 0.2 HD2 A:HIS92 3.6 34.8 0.2 CG F:GLU81 3.7 23.6 1.0 HG A:SER30 3.7 24.6 0.4 H F:GLU81 3.7 24.8 1.0 HB3 F:GLN79 3.8 28.3 0.5 HB3 F:GLN79 3.8 27.7 0.5 HB3 F:GLU81 3.9 26.0 1.0 HG2 F:PRO80 3.9 26.4 1.0 HB2 F:PRO80 3.9 25.6 1.0 ND1 A:HIS92 4.0 29.8 0.2 OG A:SER30 4.0 20.6 0.4 HG3 F:GLU81 4.1 28.3 1.0 O A:HOH1163 4.1 18.5 0.4 CD F:PRO80 4.1 25.1 1.0 HD2 A:HIS92 4.1 32.9 0.8 HE21 F:GLN79 4.1 30.9 0.5 CG A:HIS92 4.2 26.3 0.2 OE1 F:GLN79 4.3 24.9 0.5 CH3 F:ACT113 4.3 33.9 1.0 HG2 F:GLU81 4.3 28.3 1.0 HB2 A:SER30 4.3 23.7 0.6 CB F:GLU81 4.4 21.7 1.0 CG F:PRO80 4.4 22.0 1.0 O A:ASP28 4.5 26.2 1.0 N F:GLU81 4.5 20.7 1.0 CB F:PRO80 4.6 21.3 1.0 HD1 A:HIS92 4.7 35.7 0.2 O A:HOH395 4.7 35.3 1.0 H2 F:ACT113 4.7 40.6 1.0 CB F:GLN79 4.7 23.6 0.5 CB F:GLN79 4.7 23.1 0.5 HB2 A:HIS92 4.7 23.9 0.8 HD3 F:PRO80 4.8 30.1 1.0 H3 F:ACT113 4.8 40.6 1.0 N F:PRO80 4.8 23.7 1.0 HB3 A:ASP28 4.9 29.4 1.0 H1 F:ACT113 4.9 40.6 1.0 HE2 A:PHE32 4.9 25.8 1.0 HB2 F:GLN79 4.9 27.7 0.5 HB2 F:GLN79 4.9 28.3 0.5 CD2 A:HIS92 4.9 27.4 0.8 HA A:ILE29 5.0 22.8 1.0 NE2 F:GLN79 5.0 25.8 0.5

Zinc binding site 5 out of 16 in the Al-103 Y32F Y96F


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Al-103 Y32F Y96F within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn110 b:27.8 occ:1.00 H2 B:SER-1 1.4 49.4 1.0 H3 B:SER-1 1.5 49.4 1.0 N B:SER-1 1.7 41.2 1.0 O B:HOH719 2.0 32.7 1.0 NE2 B:HIS92 2.1 22.1 1.0 O B:SER-1 2.1 29.9 1.0 OXT B:ACT112 2.1 27.9 1.0 H1 B:SER-1 2.5 49.4 1.0 CA B:SER-1 2.7 36.1 1.0 O B:ACT112 2.7 33.2 1.0 C B:SER-1 2.7 28.9 1.0 C B:ACT112 2.8 33.2 1.0 CD2 B:HIS92 3.0 23.6 1.0 CE1 B:HIS92 3.1 20.1 1.0 HD2 B:HIS92 3.2 28.2 1.0 HE1 B:HIS92 3.3 24.0 1.0 HA B:SER-1 3.3 43.3 1.0 HD21 B:ASN93 3.5 28.0 1.0 HB2 B:SER-1 3.5 54.9 1.0 CB B:SER-1 3.7 45.8 1.0 HB3 B:ASN93 3.8 23.1 1.0 HB2 B:ASN93 3.8 23.1 1.0 O B:HOH132 3.9 23.4 1.0 O B:HOH873 4.0 39.5 0.9 N B:THR0 4.0 27.5 1.0 ND1 B:HIS92 4.2 20.6 1.0 CG B:HIS92 4.2 20.4 1.0 CB B:ASN93 4.2 19.3 1.0 ND2 B:ASN93 4.3 23.3 1.0 CH3 B:ACT112 4.3 36.9 1.0 HG23 B:THR0 4.3 38.0 1.0 O B:HOH1289 4.3 49.1 1.0 HB3 B:SER-1 4.4 54.9 1.0 HA B:THR0 4.5 35.4 1.0 OG B:SER-1 4.5 53.8 1.0 H B:THR0 4.6 33.0 1.0 H1 B:ACT112 4.6 44.2 1.0 HD11 B:ILE2 4.6 34.2 1.0 HG22 B:THR0 4.6 38.0 1.0 O B:HOH1366 4.7 30.7 0.5 CG B:ASN93 4.8 21.4 1.0 H3 B:ACT112 4.8 44.2 1.0 CA B:THR0 4.8 29.5 1.0 H2 B:ACT112 4.8 44.2 1.0 HD22 B:ASN93 4.9 28.0 1.0 CG2 B:THR0 4.9 31.7 1.0 HD1 B:HIS92 5.0 24.7 1.0 HD12 B:ILE2 5.0 34.2 1.0

Zinc binding site 6 out of 16 in the Al-103 Y32F Y96F


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Al-103 Y32F Y96F within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn111 b:50.4 occ:0.57 O B:HOH913 2.0 35.5 0.9 O B:HOH707 2.0 45.6 1.0 O B:HOH912 2.1 46.9 1.0 HD3 A:PRO96 3.8 33.0 1.0 OE1 B:GLU55 3.9 41.8 1.0 HG1 B:THR56 3.9 58.4 1.0 O A:HOH872 3.9 47.4 1.0 HH B:TYR49 4.0 44.3 1.0 O A:HOH1309 4.1 30.5 0.6 O B:HOH1103 4.1 51.4 1.0 OG1 B:THR56 4.2 48.6 1.0 OE2 B:GLU55 4.4 36.6 1.0 O B:HOH1104 4.5 56.3 1.0 H B:THR56 4.5 41.6 1.0 CD B:GLU55 4.5 37.7 1.0 OH B:TYR49 4.6 37.0 1.0 CD A:PRO96 4.7 27.5 1.0 HB B:THR56 4.7 54.1 1.0 HG3 A:PRO96 4.8 33.9 1.0 HD2 A:PRO96 4.9 33.0 1.0 HE1 B:TYR49 5.0 42.4 1.0

Zinc binding site 7 out of 16 in the Al-103 Y32F Y96F


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Al-103 Y32F Y96F within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn110 b:20.7 occ:1.00 OE2 C:GLU106 2.0 19.6 1.0 O C:HOH919 2.1 25.3 1.0 O C:HOH814 2.1 28.0 1.0 CD C:GLU106 2.9 16.6 1.0 OE1 C:GLU106 3.2 18.0 1.0 O C:HOH632 4.0 32.2 1.0 O C:HOH547 4.1 36.4 1.0 O C:HOH481 4.1 34.1 0.8 O C:HOH118 4.1 23.7 1.0 O C:HOH481 4.2 34.6 0.2 CG C:GLU106 4.3 14.5 1.0 HG3 C:GLU106 4.4 17.3 1.0 HB2 C:SER10 4.6 21.4 1.0 HG2 C:GLU106 4.7 17.3 1.0 HG C:SER10 4.8 26.5 1.0 HD3 C:LYS104 5.0 27.1 1.0

Zinc binding site 8 out of 16 in the Al-103 Y32F Y96F


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Al-103 Y32F Y96F within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn111 b:30.8 occ:1.00 OE1 C:GLU55 2.0 27.4 1.0 O C:HOH530 2.1 28.6 1.0 O C:HOH767 2.2 31.0 1.0 O C:HOH1144 2.2 36.8 1.0 CD C:GLU55 3.0 25.9 1.0 OE2 C:GLU55 3.4 29.8 1.0 H C:THR56 3.4 31.1 1.0 O C:HOH1145 3.9 53.9 0.6 HA C:GLU55 4.0 29.7 1.0 HE1 C:TYR49 4.0 28.8 1.0 HB C:THR56 4.1 36.9 1.0 O C:HOH1355 4.1 30.6 0.6 O G:HOH561 4.2 43.0 1.0 O C:HOH1313 4.2 27.3 0.6 O C:HOH761 4.2 44.1 1.0 N C:THR56 4.3 26.0 1.0 CG C:GLU55 4.3 26.8 1.0 OG1 C:THR56 4.3 31.6 1.0 HG1 C:THR56 4.4 37.8 1.0 HG3 C:GLU55 4.4 32.2 1.0 OH C:TYR49 4.5 26.3 1.0 HH C:TYR49 4.5 31.5 1.0 CB C:THR56 4.6 30.7 1.0 CE1 C:TYR49 4.8 24.0 1.0 CA C:GLU55 4.8 24.8 1.0 HG2 C:GLU55 5.0 32.2 1.0

Zinc binding site 9 out of 16 in the Al-103 Y32F Y96F


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Al-103 Y32F Y96F within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn112 b:30.3 occ:0.96 H3 C:SER-1 1.6 46.2 1.0 H2 C:SER-1 1.6 46.2 1.0 N C:SER-1 1.9 38.5 1.0 O C:ACT114 2.0 36.5 1.0 NE2 C:HIS92 2.1 27.2 1.0 O C:HOH648 2.1 38.1 1.0 O C:SER-1 2.1 31.1 1.0 OXT C:ACT114 2.7 38.1 1.0 H1 C:SER-1 2.7 46.2 1.0 C C:ACT114 2.7 39.9 1.0 C C:SER-1 2.8 28.2 1.0 CA C:SER-1 2.8 36.7 1.0 CE1 C:HIS92 2.8 30.2 1.0 HE1 C:HIS92 2.9 36.2 1.0 CD2 C:HIS92 3.2 27.3 1.0 HD21 C:ASN93 3.5 40.0 1.0 HD2 C:HIS92 3.5 32.7 1.0 HA C:SER-1 3.6 44.0 1.0 HB2 C:SER-1 3.6 47.6 1.0 O C:HOH240 3.8 40.4 1.0 HB3 C:ASN93 3.8 31.6 1.0 CB C:SER-1 3.8 39.7 1.0 HB2 C:ASN93 3.9 31.6 1.0 ND1 C:HIS92 4.0 27.7 1.0 N C:THR0 4.1 27.3 1.0 CH3 C:ACT114 4.2 38.1 1.0 HG23 C:THR0 4.2 43.2 1.0 CG C:HIS92 4.2 25.9 1.0 CB C:ASN93 4.3 26.4 1.0 ND2 C:ASN93 4.3 33.4 1.0 H2 C:ACT114 4.4 45.7 1.0 O C:HOH376 4.4 38.2 1.0 HG22 C:THR0 4.5 43.2 1.0 HA C:THR0 4.5 34.4 1.0 HB3 C:SER-1 4.5 47.6 1.0 OG C:SER-1 4.6 42.5 1.0 HD11 C:ILE2 4.6 47.5 1.0 H3 C:ACT114 4.7 45.7 1.0 H C:THR0 4.7 32.7 1.0 HD1 C:HIS92 4.8 33.2 1.0 CG2 C:THR0 4.8 36.0 1.0 H1 C:ACT114 4.8 45.7 1.0 CG C:ASN93 4.8 29.3 1.0 CA C:THR0 4.9 28.7 1.0 HD22 C:ASN93 4.9 40.0 1.0

Zinc binding site 10 out of 16 in the Al-103 Y32F Y96F


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Al-103 Y32F Y96F within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn113 b:48.0 occ:0.42 OD2 C:ASP28 2.0 41.8 1.0 OD1 C:ASP28 2.1 33.1 1.0 CG C:ASP28 2.4 36.6 1.0 HA2 C:GLY68 2.9 34.8 1.0 HA C:SER30 3.0 29.7 0.5 HA C:SER30 3.0 28.6 0.5 H C:SER30 3.2 31.5 0.5 H C:SER30 3.2 31.5 0.5 CA C:GLY68 3.8 29.0 1.0 CA C:SER30 3.8 24.8 0.5 CA C:SER30 3.8 23.9 0.5 N C:SER30 3.9 26.3 1.0 CB C:ASP28 3.9 34.0 1.0 HA3 C:GLY68 4.0 34.8 1.0 OG C:SER30 4.1 28.6 0.5 HB2 C:SER30 4.2 30.0 0.5 HB2 C:ASP28 4.2 40.7 1.0 HB3 C:ASP28 4.3 40.7 1.0 N C:GLY68 4.4 28.1 1.0 H C:GLY68 4.4 33.6 1.0 CB C:SER30 4.5 27.2 0.5 HA C:ASP28 4.5 33.6 1.0 CB C:SER30 4.5 25.0 0.5 CA C:ASP28 4.7 28.0 1.0 HG C:SER30 4.7 34.3 0.5 O C:HOH840 4.8 48.5 0.9 HB3 C:SER30 4.8 32.6 0.5 H C:ILE29 4.9 34.6 1.0 C C:GLY68 4.9 29.1 1.0 C C:ASP28 4.9 26.8 1.0 N C:ILE29 5.0 28.9 1.0 C C:SER30 5.0 25.7 1.0

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