Zinc in PDB 7kmm: Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri

The structure of Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri, PDB code: 7kmm was solved by P.S.Vieira, M.T.Murakami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.97 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.852, 63.497, 88.284, 90, 98.15, 90
R / Rfree (%)	19 / 23.8

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>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Zinc atom in the Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri (pdb code 7kmm). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 13 binding sites of Zinc where determined in the Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri, PDB code: 7kmm:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 13 in the Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri


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 XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:66.4 occ:1.00 OD2 A:ASP594 2.0 45.5 1.0 CG A:ASP594 2.9 40.7 1.0 OD1 A:ASP594 3.0 36.5 1.0 CB A:ASP594 4.3 34.3 1.0 NH1 A:ARG545 4.4 45.8 1.0

Zinc binding site 2 out of 13 in the Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn702 b:33.1 occ:1.00 OD1 A:ASP510 2.1 23.3 1.0 ND1 A:HIS512 2.2 25.4 1.0 O A:HOH981 2.2 19.4 1.0 O A:HOH988 2.2 21.5 1.0 CG A:ASP510 2.8 28.0 1.0 OD2 A:ASP510 2.9 29.6 1.0 CG A:HIS512 3.1 23.1 1.0 CE1 A:HIS512 3.2 30.6 1.0 CB A:HIS512 3.3 21.9 1.0 N A:HIS512 4.0 19.1 1.0 O A:HOH936 4.1 25.8 1.0 CA A:HIS512 4.2 20.8 1.0 CD2 A:HIS512 4.2 21.5 1.0 CB A:ASP510 4.3 24.6 1.0 NE2 A:HIS512 4.3 24.5 1.0 CG2 A:ILE511 4.5 20.1 1.0 N A:ILE511 4.6 24.9 1.0 O A:HIS512 4.8 24.1 1.0 CA A:ASP510 4.9 24.0 1.0 C A:ASP510 4.9 21.9 1.0 C A:ILE511 4.9 21.8 1.0

Zinc binding site 3 out of 13 in the Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn703 b:33.9 occ:1.00 OE2 A:GLU182 2.1 25.3 1.0 ND1 A:HIS521 2.1 19.8 1.0 CD A:GLU182 2.8 22.4 1.0 OE1 A:GLU182 2.9 25.0 1.0 CE1 A:HIS521 3.1 25.1 1.0 CG A:HIS521 3.1 22.1 1.0 CB A:HIS521 3.4 18.8 1.0 O A:HOH849 4.1 23.5 1.0 O A:HOH857 4.1 22.1 1.0 CA A:HIS521 4.2 19.6 1.0 NE2 A:HIS521 4.2 23.9 1.0 CD2 A:HIS521 4.2 22.2 1.0 CG A:GLU182 4.3 22.3 1.0

Zinc binding site 4 out of 13 in the Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn704 b:61.0 occ:1.00 O A:HOH968 2.0 41.7 1.0 NE2 A:HIS529 2.2 25.8 1.0 O A:HOH994 2.4 42.2 1.0 O A:HOH983 2.7 41.5 1.0 O A:HOH996 3.0 33.1 1.0 CD2 A:HIS529 3.2 25.8 1.0 CE1 A:HIS529 3.2 31.1 1.0 OH A:TYR538 4.1 25.9 1.0 ND1 A:HIS529 4.3 27.1 1.0 CG A:HIS529 4.4 22.1 1.0 O A:HOH965 4.5 25.6 1.0 CZ A:TYR538 4.9 24.4 1.0

Zinc binding site 5 out of 13 in the Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn705 b:71.8 occ:1.00 NE2 A:HIS412 2.1 28.8 1.0 O A:HOH967 2.3 38.3 1.0 O A:HOH990 2.3 37.9 1.0 O A:HOH985 2.4 39.5 1.0 O A:HOH949 2.7 38.1 1.0 CE1 A:HIS412 2.9 25.9 1.0 CD2 A:HIS412 3.2 19.8 1.0 O A:HOH982 4.1 36.1 1.0 ND1 A:HIS412 4.1 22.5 1.0 CG A:HIS412 4.3 21.0 1.0 OE1 A:GLU453 4.6 42.3 1.0 O A:HOH805 4.6 28.9 1.0 CB A:PRO152 4.9 24.5 1.0

Zinc binding site 6 out of 13 in the Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn706 b:85.8 occ:1.00 O B:HOH807 2.7 34.5 1.0 OD1 A:ASP619 2.8 37.3 1.0 O B:HOH826 2.9 40.1 1.0 OD2 A:ASP619 3.4 41.0 1.0 OD1 A:ASP618 3.4 30.1 1.0 CG A:ASP619 3.4 39.3 1.0 OD1 B:ASP618 3.7 28.3 1.0 O B:HOH947 3.8 33.9 1.0 OD2 A:ASP618 3.8 33.7 1.0 CG A:ASP618 3.9 31.5 1.0 OD2 B:ASP618 4.0 33.7 1.0 CG B:ASP618 4.3 28.7 1.0 O A:HOH950 4.3 43.5 1.0 ND2 B:ASN616 4.5 26.0 1.0 CB A:ASP619 4.9 32.2 1.0

Zinc binding site 7 out of 13 in the Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn707 b:48.3 occ:1.00 O A:HOH998 3.1 41.2 1.0 O A:HOH942 3.1 22.7 1.0 N A:LEU29 3.2 24.3 1.0 O A:HOH839 3.3 28.4 1.0 N A:LEU156 3.3 26.7 1.0 CB A:ARG155 3.5 30.5 1.0 CA A:PRO28 3.6 27.0 1.0 CB A:PRO28 3.6 28.4 1.0 CA A:ARG155 3.6 30.0 1.0 C A:PRO28 3.9 29.1 1.0 C A:ARG155 4.0 28.3 1.0 CB A:LEU29 4.1 25.1 1.0 CG A:ARG155 4.2 36.2 1.0 CG A:LEU29 4.2 25.9 1.0 O A:LEU156 4.2 29.7 1.0 CA A:LEU29 4.3 22.3 1.0 O A:HOH819 4.3 37.9 1.0 CA A:LEU156 4.3 27.2 1.0 O A:HOH851 4.3 25.5 1.0 CH2 A:TRP48 4.4 40.1 1.0 CB A:LEU156 4.4 25.9 1.0 CD1 A:LEU29 4.6 23.5 1.0 CD A:ARG155 4.7 42.9 1.0 C A:LEU156 4.7 30.1 1.0 O A:ALA154 4.8 22.6 1.0 CG A:LEU156 4.8 22.6 1.0 N A:ARG155 4.9 20.5 1.0 N A:PRO28 4.9 24.9 1.0

Zinc binding site 8 out of 13 in the Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn701 b:37.5 occ:1.00 OE1 B:GLU182 2.0 28.2 1.0 ND1 B:HIS521 2.0 24.8 1.0 O B:HOH961 2.3 17.6 1.0 CD B:GLU182 2.8 22.4 1.0 OE2 B:GLU182 2.9 24.8 1.0 CE1 B:HIS521 3.0 24.1 1.0 CG B:HIS521 3.1 21.7 1.0 CB B:HIS521 3.4 18.9 1.0 O B:HOH854 4.0 26.5 1.0 NE2 B:HIS521 4.1 23.3 1.0 CD2 B:HIS521 4.2 20.8 1.0 CA B:HIS521 4.2 19.2 1.0 CG B:GLU182 4.2 23.8 1.0

Zinc binding site 9 out of 13 in the Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn702 b:37.5 occ:1.00 OD1 B:ASP510 2.1 24.8 1.0 ND1 B:HIS512 2.2 26.8 1.0 O B:HOH963 2.3 25.0 1.0 O B:HOH959 2.3 24.2 1.0 CG B:ASP510 2.9 31.1 1.0 OD2 B:ASP510 3.0 30.3 1.0 CE1 B:HIS512 3.1 29.6 1.0 CG B:HIS512 3.2 27.4 1.0 CB B:HIS512 3.5 26.6 1.0 N B:HIS512 4.0 25.8 1.0 O B:HOH894 4.0 22.8 1.0 NE2 B:HIS512 4.3 23.8 1.0 CD2 B:HIS512 4.3 24.1 1.0 CA B:HIS512 4.3 27.4 1.0 CB B:ASP510 4.3 26.4 1.0 CG2 B:ILE511 4.4 26.6 1.0 N B:ILE511 4.5 24.8 1.0 O B:HIS512 4.8 31.0 1.0 CA B:ASP510 4.9 22.6 1.0 C B:ILE511 4.9 24.0 1.0 C B:ASP510 4.9 24.6 1.0 CH2 B:TRP119 5.0 26.7 1.0 CZ3 B:TRP119 5.0 30.7 1.0

Zinc binding site 10 out of 13 in the Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn703 b:62.8 occ:1.00 NE2 B:HIS529 2.3 34.1 1.0 O B:HOH958 2.4 46.3 1.0 O B:HOH966 2.6 35.1 1.0 CE1 B:HIS529 3.2 31.7 1.0 CD2 B:HIS529 3.3 29.5 1.0 OH B:TYR538 4.1 37.1 1.0 ND1 B:HIS529 4.4 34.5 1.0 CG B:HIS529 4.4 28.9 1.0 O B:HOH910 4.6 32.7 1.0

P.S.Vieira, M.T.Murakami. Crystal Structure of XAC1771, A Novel Carbohydrate Acetylesterase From Xanthomonas Citri To Be Published.