Zinc in PDB 6e6i: Crystal Structure of 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6

The structure of Crystal Structure of 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6, PDB code: 6e6i was solved by E.Kuatsjah, A.C.Chan, T.E.Hurst, V.Snieckus, M.E.Murphy, L.D.Eltis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.14 / 2.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	180.645, 195.099, 179.917, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.9

The binding sites of Zinc atom in the Crystal Structure of 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6 (pdb code 6e6i). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 9 binding sites of Zinc where determined in the Crystal Structure of 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6, PDB code: 6e6i:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Zinc binding site 1 out of 9 in the Crystal Structure of 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6


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 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn400 b:30.0 occ:1.00 O08 A:HVS401 1.9 38.1 1.0 NE2 A:HIS179 2.0 43.9 1.0 NE2 A:HIS6 2.1 48.9 1.0 NE2 A:HIS8 2.1 47.3 1.0 O05 A:HVS401 2.5 43.4 1.0 C06 A:HVS401 2.7 42.3 1.0 CE1 A:HIS6 2.8 47.0 1.0 HE1 A:HIS6 2.9 56.4 1.0 C04 A:HVS401 2.9 44.2 1.0 CD2 A:HIS179 3.0 40.3 1.0 HG3 A:GLU282 3.0 49.9 1.0 CE1 A:HIS8 3.0 42.9 1.0 CE1 A:HIS179 3.0 40.4 1.0 HD2 A:HIS179 3.1 48.4 1.0 CD2 A:HIS8 3.1 43.5 1.0 HE1 A:HIS8 3.2 51.5 1.0 CD2 A:HIS6 3.2 45.7 1.0 HE1 A:HIS179 3.3 48.5 1.0 HD2 A:HIS8 3.3 52.2 1.0 HE1 A:HIS223 3.5 48.4 1.0 HG2 A:PRO73 3.5 44.3 1.0 HD2 A:HIS6 3.6 54.8 1.0 CG A:GLU282 3.8 41.6 1.0 O07 A:HVS401 3.9 44.5 1.0 HG2 A:GLU282 3.9 49.9 1.0 ND1 A:HIS6 4.0 46.8 1.0 CE1 A:HIS223 4.0 40.3 1.0 HD2 A:PRO73 4.1 45.7 1.0 CG A:HIS179 4.1 39.5 1.0 NE2 A:HIS223 4.1 41.2 1.0 ND1 A:HIS179 4.1 39.8 1.0 ND1 A:HIS8 4.1 42.4 1.0 CG A:HIS8 4.2 42.0 1.0 CG A:HIS6 4.3 45.5 1.0 HD3 A:PRO73 4.3 45.7 1.0 CG A:PRO73 4.3 36.9 1.0 C03 A:HVS401 4.3 47.6 1.0 CD A:PRO73 4.4 38.1 1.0 CD A:GLU282 4.5 42.0 1.0 HB2 A:GLU282 4.6 48.0 1.0 HG3 A:PRO73 4.7 44.3 1.0 OE2 A:GLU282 4.7 42.0 1.0 H031 A:HVS401 4.7 57.1 1.0 HD1 A:HIS6 4.8 56.2 1.0 HE2 A:PHE194 4.8 42.6 1.0 H012 A:HVS401 4.9 60.5 1.0 H011 A:HVS401 4.9 60.5 1.0 CB A:GLU282 4.9 40.0 1.0 HD1 A:HIS8 4.9 50.9 1.0 HD1 A:HIS179 4.9 47.8 1.0 CE2 A:PHE194 5.0 35.5 1.0

Zinc binding site 2 out of 9 in the Crystal Structure of 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6


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 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn400 b:26.2 occ:1.00 NE2 B:HIS8 2.0 39.5 1.0 NE2 B:HIS179 2.0 35.5 1.0 O07 B:HVS401 2.0 33.4 1.0 NE2 B:HIS6 2.1 37.8 1.0 O05 B:HVS401 2.4 42.2 1.0 C06 B:HVS401 2.8 39.4 1.0 CE1 B:HIS8 2.9 36.8 1.0 C04 B:HVS401 2.9 43.1 1.0 CE1 B:HIS6 2.9 36.3 1.0 HG3 B:GLU282 3.0 41.6 1.0 HE1 B:HIS8 3.0 44.2 1.0 HE1 B:HIS6 3.0 43.5 1.0 CE1 B:HIS179 3.0 33.7 1.0 CD2 B:HIS179 3.0 33.1 1.0 CD2 B:HIS8 3.1 36.5 1.0 CD2 B:HIS6 3.2 33.6 1.0 HE1 B:HIS179 3.2 40.5 1.0 HD2 B:HIS179 3.2 39.8 1.0 HD2 B:HIS8 3.4 43.8 1.0 HD2 B:HIS6 3.4 40.4 1.0 HG2 B:PRO73 3.6 34.8 1.0 HG2 B:GLU282 3.7 41.6 1.0 HE1 B:HIS223 3.7 37.2 1.0 CG B:GLU282 3.7 34.6 1.0 HD2 B:PRO73 4.0 35.8 1.0 ND1 B:HIS8 4.0 35.7 1.0 O08 B:HVS401 4.0 39.9 1.0 ND1 B:HIS6 4.1 36.0 1.0 NE2 B:HIS223 4.1 30.4 1.0 ND1 B:HIS179 4.1 33.8 1.0 CG B:HIS179 4.1 32.7 1.0 CE1 B:HIS223 4.2 31.0 1.0 CG B:HIS8 4.2 34.6 1.0 CG B:HIS6 4.2 34.4 1.0 C03 B:HVS401 4.3 46.9 1.0 HD3 B:PRO73 4.4 35.8 1.0 CG B:PRO73 4.4 29.0 1.0 CD B:PRO73 4.4 29.9 1.0 CD B:GLU282 4.5 36.9 1.0 H011 B:HVS401 4.5 58.5 1.0 HB2 B:GLU282 4.7 38.8 1.0 HE2 B:PHE194 4.7 33.6 1.0 H031 B:HVS401 4.7 56.3 1.0 HD1 B:HIS8 4.8 42.9 1.0 HD1 B:HIS6 4.8 43.2 1.0 OE2 B:GLU282 4.8 38.1 1.0 CB B:GLU282 4.9 32.3 1.0 HD1 B:HIS179 4.9 40.5 1.0 HG3 B:PRO73 4.9 34.8 1.0 CE2 B:PHE194 4.9 28.0 1.0

Zinc binding site 3 out of 9 in the Crystal Structure of 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6


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 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn400 b:33.6 occ:1.00 O08 C:HVS401 1.7 42.5 1.0 NE2 C:HIS179 2.0 52.4 1.0 NE2 C:HIS8 2.1 58.6 1.0 NE2 C:HIS6 2.2 49.0 1.0 O05 C:HVS401 2.5 50.8 1.0 C06 C:HVS401 2.6 47.5 1.0 C04 C:HVS401 2.9 50.7 1.0 HG3 C:GLU282 3.0 57.9 1.0 CE1 C:HIS179 3.0 46.6 1.0 CD2 C:HIS179 3.0 48.3 1.0 CE1 C:HIS8 3.0 55.0 1.0 CE1 C:HIS6 3.0 50.7 1.0 CD2 C:HIS8 3.1 54.5 1.0 HE1 C:HIS6 3.1 60.8 1.0 HE1 C:HIS179 3.2 56.0 1.0 HE1 C:HIS8 3.2 66.0 1.0 HD2 C:HIS179 3.2 57.9 1.0 HD2 C:HIS8 3.3 65.5 1.0 CD2 C:HIS6 3.3 51.5 1.0 HD2 C:HIS6 3.6 61.9 1.0 HG2 C:PRO73 3.6 48.6 1.0 HE1 C:HIS223 3.6 51.2 1.0 HG2 C:GLU282 3.7 57.9 1.0 CG C:GLU282 3.7 48.3 1.0 O07 C:HVS401 3.8 49.0 1.0 HD2 C:PRO73 3.9 50.5 1.0 ND1 C:HIS179 4.1 46.5 1.0 CE1 C:HIS223 4.1 42.7 1.0 ND1 C:HIS8 4.1 55.0 1.0 CG C:HIS179 4.1 46.8 1.0 NE2 C:HIS223 4.2 43.2 1.0 CG C:HIS8 4.2 54.2 1.0 ND1 C:HIS6 4.2 52.0 1.0 C03 C:HVS401 4.2 54.5 1.0 HD3 C:PRO73 4.3 50.5 1.0 CG C:PRO73 4.4 40.5 1.0 CG C:HIS6 4.4 51.9 1.0 CD C:PRO73 4.4 42.0 1.0 CD C:GLU282 4.5 49.9 1.0 OE2 C:GLU282 4.6 50.9 1.0 HE2 C:PHE194 4.6 38.6 1.0 H011 C:HVS401 4.6 69.0 1.0 H031 C:HVS401 4.7 65.4 1.0 HB2 C:GLU282 4.7 56.5 1.0 HG3 C:PRO73 4.8 48.6 1.0 HD1 C:HIS179 4.9 55.9 1.0 CE2 C:PHE194 4.9 32.2 1.0 CB C:GLU282 4.9 47.0 1.0 H012 C:HVS401 4.9 69.0 1.0 HD1 C:HIS8 4.9 66.0 1.0 HD1 C:HIS6 5.0 62.4 1.0 O C:HOH510 5.0 36.3 1.0

Zinc binding site 4 out of 9 in the Crystal Structure of 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6


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 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn400 b:30.2 occ:1.00 O07 D:HVS401 2.0 36.2 0.7 NE2 D:HIS8 2.0 48.8 1.0 NE2 D:HIS179 2.1 50.0 1.0 NE2 D:HIS6 2.1 50.1 1.0 O05 D:HVS401 2.4 36.4 0.7 C06 D:HVS401 2.8 38.2 0.7 CE1 D:HIS8 2.8 44.2 1.0 C04 D:HVS401 2.9 38.2 0.7 HE1 D:HIS8 2.9 53.1 1.0 CD2 D:HIS179 3.0 45.4 1.0 CE1 D:HIS6 3.0 46.1 1.0 CE1 D:HIS179 3.0 45.7 1.0 HE1 D:HIS6 3.1 55.3 1.0 HG3 D:GLU282 3.1 50.9 1.0 CD2 D:HIS8 3.1 45.2 1.0 HD2 D:HIS179 3.1 54.5 1.0 CD2 D:HIS6 3.2 46.3 1.0 HE1 D:HIS179 3.3 54.9 1.0 HD2 D:HIS8 3.4 54.3 1.0 HD2 D:HIS6 3.5 55.5 1.0 HG2 D:GLU282 3.5 50.9 1.0 HG2 D:PRO73 3.6 37.4 1.0 HE1 D:HIS223 3.7 41.5 1.0 CG D:GLU282 3.7 42.4 1.0 O08 D:HVS401 4.0 39.8 0.7 HD2 D:PRO73 4.0 37.1 1.0 ND1 D:HIS8 4.0 44.6 1.0 ND1 D:HIS179 4.1 44.7 1.0 CG D:HIS179 4.1 43.5 1.0 ND1 D:HIS6 4.2 46.7 1.0 CG D:HIS8 4.2 44.6 1.0 CE1 D:HIS223 4.2 34.6 1.0 C03 D:HVS401 4.3 40.9 0.7 CG D:HIS6 4.3 46.2 1.0 HD3 D:PRO73 4.3 37.1 1.0 NE2 D:HIS223 4.3 35.8 1.0 CG D:PRO73 4.4 31.2 1.0 CD D:PRO73 4.4 30.9 1.0 CD D:GLU282 4.5 44.4 1.0 H011 D:HVS401 4.7 49.9 0.7 H031 D:HVS401 4.7 49.0 0.7 HB2 D:GLU282 4.7 50.1 1.0 HD1 D:HIS8 4.7 53.5 1.0 H012 D:HVS401 4.8 49.9 0.7 OE2 D:GLU282 4.8 43.5 1.0 HG3 D:PRO73 4.8 37.4 1.0 HE2 D:PHE194 4.8 43.4 1.0 HD1 D:HIS179 4.9 53.6 1.0 CB D:GLU282 4.9 41.8 1.0 HD1 D:HIS6 4.9 56.0 1.0

Zinc binding site 5 out of 9 in the Crystal Structure of 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6


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 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6 within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn400 b:29.6 occ:1.00 NE2 E:HIS179 2.0 36.5 1.0 O08 E:HVS401 2.0 34.5 1.0 NE2 E:HIS8 2.0 39.8 1.0 NE2 E:HIS6 2.1 38.2 1.0 O05 E:HVS401 2.6 44.4 1.0 CE1 E:HIS8 2.8 37.7 1.0 C06 E:HVS401 2.9 41.8 1.0 CD2 E:HIS179 2.9 34.2 1.0 HE1 E:HIS8 2.9 45.2 1.0 CE1 E:HIS6 2.9 36.6 1.0 HE1 E:HIS6 3.0 43.9 1.0 HD2 E:HIS179 3.0 41.1 1.0 C04 E:HVS401 3.0 45.0 1.0 HG3 E:GLU282 3.0 46.8 1.0 CE1 E:HIS179 3.0 34.1 1.0 CD2 E:HIS8 3.2 37.4 1.0 CD2 E:HIS6 3.2 34.0 1.0 HE1 E:HIS179 3.3 41.0 1.0 HE1 E:HIS223 3.5 41.8 1.0 HD2 E:HIS8 3.5 44.9 1.0 HG2 E:PRO73 3.5 36.1 1.0 HD2 E:HIS6 3.5 40.8 1.0 HG2 E:GLU282 3.6 46.8 1.0 CG E:GLU282 3.7 39.0 1.0 ND1 E:HIS8 4.0 36.5 1.0 CG E:HIS179 4.0 33.9 1.0 HD2 E:PRO73 4.0 36.8 1.0 CE1 E:HIS223 4.1 34.9 1.0 O07 E:HVS401 4.1 43.3 1.0 ND1 E:HIS179 4.1 34.1 1.0 ND1 E:HIS6 4.1 36.5 1.0 CG E:HIS8 4.2 35.4 1.0 NE2 E:HIS223 4.3 35.0 1.0 CG E:HIS6 4.3 34.5 1.0 CG E:PRO73 4.3 30.1 1.0 HD3 E:PRO73 4.4 36.8 1.0 C03 E:HVS401 4.4 48.6 1.0 CD E:PRO73 4.5 30.7 1.0 CD E:GLU282 4.5 39.1 1.0 HB2 E:GLU282 4.7 45.1 1.0 HG3 E:PRO73 4.7 36.1 1.0 OE2 E:GLU282 4.7 38.7 1.0 HE2 E:PHE194 4.7 35.6 1.0 HD1 E:HIS8 4.8 43.8 1.0 H031 E:HVS401 4.8 58.3 1.0 HD1 E:HIS6 4.8 43.9 1.0 H012 E:HVS401 4.9 59.4 1.0 CB E:GLU282 4.9 37.6 1.0 HD1 E:HIS179 4.9 40.9 1.0 CE2 E:PHE194 5.0 29.7 1.0 H011 E:HVS401 5.0 59.4 1.0

Zinc binding site 6 out of 9 in the Crystal Structure of 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6


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 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6 within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn400 b:31.4 occ:1.00 NE2 F:HIS8 2.0 47.6 1.0 O08 F:HVS401 2.0 39.1 1.0 NE2 F:HIS179 2.0 42.8 1.0 NE2 F:HIS6 2.1 49.1 1.0 O05 F:HVS401 2.5 46.6 1.0 C06 F:HVS401 2.8 44.9 1.0 CE1 F:HIS8 2.8 44.2 1.0 HE1 F:HIS8 2.9 53.0 1.0 CE1 F:HIS179 2.9 39.6 1.0 C04 F:HVS401 2.9 48.0 1.0 CE1 F:HIS6 2.9 47.3 1.0 CD2 F:HIS179 3.0 40.0 1.0 HE1 F:HIS6 3.1 56.8 1.0 CD2 F:HIS8 3.1 44.8 1.0 HE1 F:HIS179 3.1 47.5 1.0 HG3 F:GLU282 3.1 51.4 1.0 CD2 F:HIS6 3.2 46.2 1.0 HD2 F:HIS179 3.2 48.0 1.0 HD2 F:HIS8 3.4 53.7 1.0 HD2 F:HIS6 3.4 55.4 1.0 HG2 F:PRO73 3.5 41.0 1.0 HE1 F:HIS223 3.6 38.3 1.0 HG2 F:GLU282 3.6 51.4 1.0 CG F:GLU282 3.8 42.9 1.0 HD2 F:PRO73 3.9 40.6 1.0 ND1 F:HIS8 4.0 43.7 1.0 ND1 F:HIS179 4.0 39.2 1.0 O07 F:HVS401 4.0 45.6 1.0 CG F:HIS179 4.1 38.4 1.0 ND1 F:HIS6 4.1 47.5 1.0 CG F:HIS8 4.2 43.3 1.0 CE1 F:HIS223 4.2 31.9 1.0 CG F:HIS6 4.2 45.9 1.0 C03 F:HVS401 4.3 52.9 1.0 CG F:PRO73 4.3 34.2 1.0 HD3 F:PRO73 4.4 40.6 1.0 NE2 F:HIS223 4.4 32.8 1.0 CD F:PRO73 4.4 33.9 1.0 H011 F:HVS401 4.4 66.2 1.0 CD F:GLU282 4.6 44.8 1.0 HD1 F:HIS8 4.7 52.5 1.0 HG3 F:PRO73 4.8 41.0 1.0 H031 F:HVS401 4.8 63.5 1.0 HD1 F:HIS179 4.8 47.1 1.0 HB2 F:GLU282 4.8 48.6 1.0 HD1 F:HIS6 4.9 57.1 1.0 OE2 F:GLU282 4.9 45.3 1.0 HE2 F:PHE194 4.9 40.2 1.0 CB F:GLU282 5.0 40.5 1.0

Zinc binding site 7 out of 9 in the Crystal Structure of 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6


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 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6 within 5.0Å range: probe atom residue distance (Å) B Occ G:Zn400 b:30.2 occ:1.00 O08 G:HVS401 1.9 38.4 1.0 NE2 G:HIS8 2.1 47.3 1.0 NE2 G:HIS179 2.1 45.0 1.0 NE2 G:HIS6 2.2 52.3 1.0 O05 G:HVS401 2.4 48.4 1.0 C06 G:HVS401 2.7 44.2 1.0 C04 G:HVS401 2.9 48.1 1.0 CE1 G:HIS8 2.9 43.5 1.0 HE1 G:HIS8 3.0 52.3 1.0 CE1 G:HIS6 3.1 49.2 1.0 HG3 G:GLU282 3.1 53.8 1.0 CD2 G:HIS179 3.1 41.8 1.0 CE1 G:HIS179 3.1 41.1 1.0 CD2 G:HIS8 3.2 44.0 1.0 HE1 G:HIS6 3.2 59.1 1.0 HD2 G:HIS179 3.2 50.2 1.0 CD2 G:HIS6 3.2 50.4 1.0 HE1 G:HIS179 3.3 49.3 1.0 HD2 G:HIS8 3.4 52.8 1.0 HD2 G:HIS6 3.5 60.5 1.0 HG2 G:PRO73 3.5 41.6 1.0 HG2 G:GLU282 3.7 53.8 1.0 CG G:GLU282 3.8 44.8 1.0 HE1 G:HIS223 3.8 46.0 1.0 O07 G:HVS401 3.9 46.0 1.0 HD2 G:PRO73 4.0 42.0 1.0 ND1 G:HIS8 4.1 44.7 1.0 ND1 G:HIS179 4.2 40.5 1.0 CG G:HIS179 4.2 40.3 1.0 ND1 G:HIS6 4.2 49.9 1.0 CG G:HIS8 4.2 44.3 1.0 C03 G:HVS401 4.3 52.0 1.0 CE1 G:HIS223 4.3 38.3 1.0 HD3 G:PRO73 4.3 42.0 1.0 CG G:HIS6 4.3 49.5 1.0 CG G:PRO73 4.3 34.7 1.0 NE2 G:HIS223 4.3 39.2 1.0 CD G:PRO73 4.4 35.0 1.0 CD G:GLU282 4.5 46.1 1.0 HE2 G:PHE194 4.6 35.2 1.0 H031 G:HVS401 4.7 62.4 1.0 HG3 G:PRO73 4.7 41.6 1.0 HB2 G:GLU282 4.8 51.5 1.0 H011 G:HVS401 4.8 67.0 1.0 OE2 G:GLU282 4.8 47.4 1.0 HD1 G:HIS8 4.8 53.6 1.0 CE2 G:PHE194 4.9 29.4 1.0 CB G:GLU282 4.9 43.0 1.0 HD1 G:HIS179 5.0 48.6 1.0 HD1 G:HIS6 5.0 59.9 1.0

Zinc binding site 8 out of 9 in the Crystal Structure of 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6


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 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6 within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn400 b:32.2 occ:1.00 NE2 H:HIS8 2.0 52.9 1.0 O07 H:HVS401 2.0 40.0 1.0 NE2 H:HIS179 2.1 49.4 1.0 O05 H:HVS401 2.2 42.2 1.0 NE2 H:HIS6 2.2 44.3 1.0 C06 H:HVS401 2.7 43.0 1.0 C04 H:HVS401 2.8 45.3 1.0 CE1 H:HIS8 2.9 47.4 1.0 HG3 H:GLU282 2.9 56.4 1.0 CD2 H:HIS179 3.0 44.8 1.0 CD2 H:HIS8 3.0 47.4 1.0 HE1 H:HIS8 3.1 56.9 1.0 HD2 H:HIS179 3.1 53.8 1.0 CE1 H:HIS6 3.1 46.0 1.0 CE1 H:HIS179 3.1 44.5 1.0 CD2 H:HIS6 3.2 46.8 1.0 HD2 H:HIS8 3.2 56.9 1.0 HE1 H:HIS6 3.3 55.2 1.0 HE1 H:HIS179 3.4 53.4 1.0 HD2 H:HIS6 3.4 56.2 1.0 HG2 H:PRO73 3.6 46.2 1.0 HE1 H:HIS223 3.7 53.5 1.0 CG H:GLU282 3.8 47.0 1.0 O08 H:HVS401 4.0 44.8 1.0 HG2 H:GLU282 4.0 56.4 1.0 ND1 H:HIS8 4.0 47.1 1.0 HD2 H:PRO73 4.0 47.2 1.0 CG H:HIS8 4.1 46.6 1.0 C03 H:HVS401 4.2 50.0 1.0 CG H:HIS179 4.2 42.9 1.0 ND1 H:HIS179 4.2 43.9 1.0 CE1 H:HIS223 4.3 44.6 1.0 ND1 H:HIS6 4.3 47.1 1.0 NE2 H:HIS223 4.3 45.5 1.0 CG H:HIS6 4.4 47.5 1.0 HD3 H:PRO73 4.4 47.2 1.0 CG H:PRO73 4.4 38.5 1.0 CD H:PRO73 4.5 39.4 1.0 HB2 H:GLU282 4.5 55.8 1.0 H011 H:HVS401 4.5 64.0 1.0 CD H:GLU282 4.6 48.5 1.0 H012 H:HVS401 4.6 64.0 1.0 H031 H:HVS401 4.6 60.0 1.0 HE2 H:PHE194 4.7 46.0 1.0 HD1 H:HIS8 4.8 56.6 1.0 CB H:GLU282 4.8 46.5 1.0 HG3 H:PRO73 4.8 46.2 1.0 OE2 H:GLU282 4.9 49.6 1.0 C01 H:HVS401 4.9 53.3 1.0 CE2 H:PHE194 4.9 38.3 1.0

Zinc binding site 9 out of 9 in the Crystal Structure of 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6


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 4-Methyl Hopda Bound to Ligy From Sphingobium Sp. Strain Syk-6 within 5.0Å range: probe atom residue distance (Å) B Occ I:Zn400 b:29.9 occ:1.00 O08 I:HVS401 1.9 43.2 1.0 NE2 I:HIS6 2.1 51.0 1.0 NE2 I:HIS8 2.1 46.3 1.0 NE2 I:HIS179 2.1 49.2 1.0 O05 I:HVS401 2.6 56.6 1.0 C06 I:HVS401 2.8 54.0 1.0 CE1 I:HIS8 2.9 42.8 1.0 CE1 I:HIS6 2.9 48.8 1.0 HE1 I:HIS8 3.0 51.4 1.0 HG3 I:GLU282 3.0 54.2 1.0 HE1 I:HIS6 3.1 58.5 1.0 C04 I:HVS401 3.1 56.6 1.0 CD2 I:HIS179 3.1 45.9 1.0 CE1 I:HIS179 3.1 46.0 1.0 CD2 I:HIS6 3.2 48.7 1.0 CD2 I:HIS8 3.2 42.9 1.0 HD2 I:HIS179 3.2 55.0 1.0 HE1 I:HIS179 3.3 55.2 1.0 HD2 I:HIS6 3.4 58.5 1.0 HD2 I:HIS8 3.5 51.5 1.0 HG2 I:GLU282 3.5 54.2 1.0 HG2 I:PRO73 3.6 37.3 1.0 CG I:GLU282 3.7 45.2 1.0 HE1 I:HIS223 3.8 45.7 1.0 O07 I:HVS401 4.0 59.1 1.0 ND1 I:HIS8 4.1 43.5 1.0 ND1 I:HIS6 4.1 49.5 1.0 HD2 I:PRO73 4.1 36.6 1.0 ND1 I:HIS179 4.2 45.8 1.0 CG I:HIS6 4.2 48.7 1.0 CG I:HIS179 4.2 44.0 1.0 CG I:HIS8 4.2 42.8 1.0 CE1 I:HIS223 4.3 38.1 1.0 CG I:PRO73 4.4 31.1 1.0 HD3 I:PRO73 4.4 36.6 1.0 NE2 I:HIS223 4.4 39.5 1.0 C03 I:HVS401 4.5 59.8 1.0 CD I:PRO73 4.5 30.5 1.0 CD I:GLU282 4.5 46.2 1.0 HB2 I:GLU282 4.6 52.5 1.0 HG3 I:PRO73 4.7 37.3 1.0 OE2 I:GLU282 4.8 46.7 1.0 HD1 I:HIS8 4.8 52.2 1.0 CB I:GLU282 4.8 43.7 1.0 O I:HOH519 4.8 33.1 1.0 H011 I:HVS401 4.8 75.1 1.0 HD1 I:HIS6 4.8 59.4 1.0 HE2 I:PHE194 4.9 48.5 1.0 H031 I:HVS401 4.9 71.8 1.0

E.Kuatsjah, A.C.K.Chan, T.E.Hurst, V.Snieckus, M.E.P.Murphy, L.D.Eltis. Metal- and Serine-Dependent Meta-Cleavage Product Hydrolases Utilize Similar Nucleophile-Activation Strategies Acs Catalysis V. 8 11622 2018.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.8B02955