Zinc in PDB 9fah: Human Adenovirus Type 37 Fiber Knob in Complex with 4-O,5-N- Diacetylneuraminic Acid

The structure of Human Adenovirus Type 37 Fiber Knob in Complex with 4-O,5-N- Diacetylneuraminic Acid, PDB code: 9fah was solved by M.Strebl, A.M.Liaci, T.Stehle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.90 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.881, 66.726, 73.949, 90, 97.75, 90
R / Rfree (%)	15.8 / 19

The structure of Human Adenovirus Type 37 Fiber Knob in Complex with 4-O,5-N- Diacetylneuraminic Acid also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Zinc atom in the Human Adenovirus Type 37 Fiber Knob in Complex with 4-O,5-N- Diacetylneuraminic Acid (pdb code 9fah). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the Human Adenovirus Type 37 Fiber Knob in Complex with 4-O,5-N- Diacetylneuraminic Acid, PDB code: 9fah:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in the Human Adenovirus Type 37 Fiber Knob in Complex with 4-O,5-N- Diacetylneuraminic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Adenovirus Type 37 Fiber Knob in Complex with 4-O,5-N- Diacetylneuraminic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:38.8 occ:1.00 NE2 A:HIS231 2.0 31.6 1.0 CD2 A:HIS231 3.0 33.6 1.0 CE1 A:HIS231 3.0 32.9 1.0 O A:HOH590 4.0 43.1 1.0 CG A:HIS231 4.1 29.4 1.0 ND1 A:HIS231 4.1 26.5 1.0 CD1 A:ILE232 4.3 39.2 1.0 CG1 A:ILE232 4.6 38.1 1.0 OE2 A:GLU351 4.7 57.2 1.0 ZN A:ZN404 4.8 36.6 0.7 CD A:GLU351 4.9 58.6 1.0

Zinc binding site 2 out of 5 in the Human Adenovirus Type 37 Fiber Knob in Complex with 4-O,5-N- Diacetylneuraminic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human Adenovirus Type 37 Fiber Knob in Complex with 4-O,5-N- Diacetylneuraminic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:56.2 occ:0.61 OXT A:GLU365 2.2 52.8 1.0 O C:ACT403 2.2 67.1 1.0 O A:GLU365 2.3 38.7 1.0 NZ A:LYS212 2.4 32.0 1.0 C A:GLU365 2.6 51.6 1.0 OXT C:ACT403 2.7 67.6 1.0 O A:HOH591 2.7 65.1 1.0 C C:ACT403 2.9 67.1 1.0 CE A:LYS212 2.9 28.9 1.0 O A:GLY214 3.8 33.5 1.0 CA A:GLU365 4.1 53.6 1.0 CH3 C:ACT403 4.3 66.5 1.0 CD A:LYS212 4.4 28.5 1.0 C A:GLY214 4.4 36.2 1.0 NH1 C:ARG270 4.5 42.8 1.0 NH2 C:ARG270 4.5 46.1 1.0 O A:GLY285 4.7 24.8 1.0 N A:GLU365 4.8 31.9 1.0 CB A:GLU365 4.8 47.5 1.0 CA A:GLY285 4.8 28.4 1.0 CG A:GLU365 4.9 57.1 1.0 CA A:GLY214 4.9 37.6 1.0

Zinc binding site 3 out of 5 in the Human Adenovirus Type 37 Fiber Knob in Complex with 4-O,5-N- Diacetylneuraminic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Human Adenovirus Type 37 Fiber Knob in Complex with 4-O,5-N- Diacetylneuraminic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:36.6 occ:0.66 OE2 A:GLU351 1.9 57.2 1.0 O A:ACT405 2.1 40.6 1.0 O A:HOH590 2.2 43.1 1.0 CD A:GLU351 2.6 58.6 1.0 OE1 A:GLU351 2.8 53.0 1.0 C A:ACT405 2.9 40.4 1.0 OXT A:ACT405 3.0 41.6 1.0 O A:HOH502 3.6 35.9 1.0 CG A:GLU351 4.1 34.4 1.0 CE1 A:HIS231 4.3 32.9 1.0 CH3 A:ACT405 4.4 38.0 1.0 CE1 B:TYR302 4.5 29.3 1.0 OH B:TYR302 4.6 42.2 1.0 ZN A:ZN402 4.8 38.8 1.0 NE2 A:HIS231 4.9 31.6 1.0 CZ B:TYR302 5.0 40.8 1.0

Zinc binding site 4 out of 5 in the Human Adenovirus Type 37 Fiber Knob in Complex with 4-O,5-N- Diacetylneuraminic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Human Adenovirus Type 37 Fiber Knob in Complex with 4-O,5-N- Diacetylneuraminic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:72.4 occ:0.87 O C:HOH579 2.3 72.5 1.0 NE2 B:HIS231 2.6 41.3 1.0 O B:HOH577 2.8 62.9 1.0 CL B:CL404 3.1 56.8 1.0 CE1 B:HIS231 3.4 39.1 1.0 CD2 B:HIS231 3.6 41.2 1.0 O B:HOH510 4.1 57.0 1.0 CD1 B:ILE232 4.4 47.0 1.0 ND1 B:HIS231 4.6 40.4 1.0 NZ C:LYS300 4.6 70.0 1.0 CG B:HIS231 4.7 29.9 1.0

Zinc binding site 5 out of 5 in the Human Adenovirus Type 37 Fiber Knob in Complex with 4-O,5-N- Diacetylneuraminic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Human Adenovirus Type 37 Fiber Knob in Complex with 4-O,5-N- Diacetylneuraminic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn402 b:32.2 occ:0.97 OE1 C:GLU351 1.9 35.6 1.0 O C:HOH502 1.9 31.3 1.0 NE2 C:HIS231 2.1 31.1 1.0 CD C:GLU351 2.9 54.6 1.0 CE1 C:HIS231 3.0 36.5 1.0 CD2 C:HIS231 3.1 29.1 1.0 CG C:GLU351 3.2 43.0 1.0 OE2 C:GLU353 3.6 48.8 1.0 O C:HOH520 3.8 28.0 1.0 O C:VAL225 3.9 28.6 1.0 OE2 C:GLU351 4.0 41.5 1.0 ND1 C:HIS231 4.1 39.4 1.0 CG C:HIS231 4.2 37.2 1.0 CA C:VAL226 4.5 30.8 1.0 O C:VAL226 4.7 34.9 1.0 CD C:GLU353 4.7 70.3 1.0 CB C:GLU351 4.7 32.3 1.0 C C:VAL226 5.0 31.7 1.0 C C:VAL225 5.0 26.5 1.0

A.M.Liaci, N.Chandra, S.M.Vodnala, Y.Liu, M.Strebl, P.Kumar, V.Pfenning, P.Bachmann, R.Caraballo, W.Chai, E.Johansson, M.Elofsson, T.Feizi, N.Arnberg, T.Stehle. Extended Receptor Repertoire of An Adenovirus Associated with Human Obesity To Be Published.