Zinc in PDB 8xo6: Crystal Structure of Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group)

The structure of Crystal Structure of Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group), PDB code: 8xo6 was solved by S.Oishi, A.Takahara, T.Nakatsu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.60 / 1.46
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	56.049, 59.768, 63.674, 90, 90, 90
R / Rfree (%)	17.6 / 20.8

The binding sites of Zinc atom in the Crystal Structure of Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group) (pdb code 8xo6). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 10 binding sites of Zinc where determined in the Crystal Structure of Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group), PDB code: 8xo6:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 10 in the Crystal Structure of Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group)


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 Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:31.0 occ:0.60 OD2 A:ASP148 2.0 25.4 1.0 O A:HOH328 2.3 53.4 1.0 ZN A:ZN202 2.6 30.1 0.4 O A:HOH306 2.6 42.9 1.0 CG A:ASP148 2.9 25.5 1.0 OD1 A:ASP148 3.2 24.0 1.0 O A:HOH302 4.0 47.0 1.0 O A:SER144 4.2 20.4 1.0 CB A:ASP148 4.2 20.3 1.0 O A:HOH311 4.3 43.0 1.0 C A:SER144 4.7 20.1 1.0 CB A:SER144 4.7 22.9 1.0 OG A:SER144 4.8 26.4 1.0

Zinc binding site 2 out of 10 in the Crystal Structure of Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group)


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 Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn202 b:30.1 occ:0.40 O A:HOH311 1.8 43.0 1.0 OD1 A:ASP148 2.0 24.0 1.0 ZN A:ZN201 2.6 31.0 0.6 CG A:ASP148 2.8 25.5 1.0 OD2 A:ASP148 3.0 25.4 1.0 O A:SER144 3.7 20.4 1.0 NH2 A:ARG151 4.1 27.4 0.6 CB A:ASP148 4.1 20.3 1.0 N A:ASP148 4.4 16.9 1.0 O A:HOH306 4.4 42.9 1.0 NH1 A:ARG151 4.5 26.9 0.6 CA A:ASP148 4.5 18.5 1.0 O A:HOH328 4.5 53.4 1.0 C A:SER144 4.6 20.1 1.0 CB A:SER144 4.7 22.9 1.0 CZ A:ARG151 4.8 24.4 0.6 CG2 A:ILE147 4.8 18.9 1.0 CA A:SER144 4.9 19.1 1.0

Zinc binding site 3 out of 10 in the Crystal Structure of Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group)


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 Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn203 b:31.1 occ:0.40 O A:HOH321 1.9 43.0 1.0 O A:HOH325 1.9 47.9 1.0 OE2 A:GLU170 2.0 33.0 1.0 O A:HOH327 2.3 49.8 1.0 CD A:GLU170 2.8 25.7 1.0 OE1 A:GLU170 3.0 27.6 1.0 CG A:GLU170 4.2 22.2 1.0 O A:HOH307 4.2 40.0 1.0 CD1 A:LEU173 4.3 23.0 1.0 CG B:LYS465 4.5 23.6 1.0 CE B:LYS465 4.7 31.4 1.0 OD1 B:ASN462 4.9 26.8 1.0

Zinc binding site 4 out of 10 in the Crystal Structure of Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group)


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 Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:20.2 occ:1.00 OD2 B:ASP458 2.0 18.7 1.0 OE2 B:GLU461 2.0 21.5 1.0 CG B:ASP458 2.7 21.1 1.0 OD1 B:ASP458 2.8 20.2 1.0 CD B:GLU461 2.8 18.0 1.0 OE1 B:GLU461 3.0 19.6 1.0 O B:HOH627 3.7 23.5 1.0 CB B:ASP458 4.1 17.1 1.0 O B:HOH632 4.1 32.8 1.0 CG B:GLU461 4.3 18.3 1.0 O B:HOH619 4.4 29.4 1.0 N B:GLU461 5.0 15.2 1.0

Zinc binding site 5 out of 10 in the Crystal Structure of Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group)


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 Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn502 b:22.1 occ:0.80 O B:ACT504 1.9 27.9 0.8 OE2 B:GLU474 2.0 30.8 1.0 O B:HOH634 2.0 33.5 1.0 OE1 B:GLU474 2.3 25.9 1.0 CD B:GLU474 2.5 20.3 1.0 C B:ACT504 2.7 24.2 0.8 OXT B:ACT504 2.8 23.1 0.8 O B:HOH604 3.4 42.7 1.0 CG B:GLU474 4.0 18.3 1.0 NH2 E:ARG165 4.0 26.6 1.0 CH3 B:ACT504 4.1 24.3 0.8 NZ B:LYS478 4.6 25.6 1.0 O B:HOH639 4.8 45.5 1.0 CZ E:ARG165 4.9 22.1 1.0 CE B:LYS478 4.9 24.9 1.0

Zinc binding site 6 out of 10 in the Crystal Structure of Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group)


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 Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn503 b:27.1 occ:0.30 O B:HOH614 1.6 46.2 0.5 O B:HOH602 1.9 51.0 1.0 O B:HOH611 1.9 45.1 1.0 OE2 B:GLU482 2.1 25.8 0.3 OE1 B:GLU482 2.1 25.3 0.3 CD B:GLU482 2.4 24.8 0.3 OE2 B:GLU482 2.4 48.7 0.7 CD B:GLU482 2.9 38.5 0.7 OE1 B:GLU482 3.0 42.8 0.7 CG B:GLU482 3.9 23.4 0.3 CG B:GLU482 4.2 32.9 0.7 O B:HOH608 4.4 43.1 0.7 CB B:GLU482 4.8 21.8 0.3 CB B:GLU482 4.8 25.3 0.7

Zinc binding site 7 out of 10 in the Crystal Structure of Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group)


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 Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn501 b:19.3 occ:0.70 OE2 D:GLU474 2.0 22.3 1.0 O D:HOH609 2.0 25.5 1.0 O A:ACT204 2.1 29.2 1.0 CD D:GLU474 3.0 20.9 1.0 C A:ACT204 3.2 27.2 1.0 ZN D:ZN502 3.2 17.5 0.6 OE1 D:GLU474 3.3 22.4 1.0 OXT A:ACT204 3.6 25.6 1.0 NZ D:LYS471 3.8 23.9 1.0 NZ D:LYS478 3.9 25.9 1.0 O A:HOH319 4.3 30.8 1.0 CG D:GLU474 4.4 19.2 1.0 CH3 A:ACT204 4.5 29.2 1.0 CE D:LYS478 4.7 25.6 1.0 OE2 D:GLU475 5.0 24.5 1.0

Zinc binding site 8 out of 10 in the Crystal Structure of Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group)


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 Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn502 b:17.5 occ:0.60 O D:HOH609 2.0 25.5 1.0 O A:ACT205 2.0 17.0 0.6 OXT A:ACT204 2.0 25.6 1.0 OE1 D:GLU474 2.1 22.4 1.0 O A:HOH319 2.2 30.8 1.0 C A:ACT205 2.9 18.3 0.6 C A:ACT204 2.9 27.2 1.0 CD D:GLU474 3.0 20.9 1.0 OXT A:ACT205 3.1 19.6 0.6 O A:ACT204 3.1 29.2 1.0 ZN D:ZN501 3.2 19.3 0.7 OE2 D:GLU474 3.3 22.3 1.0 NH2 A:ARG165 3.9 20.4 1.0 NZ D:LYS471 4.0 23.9 1.0 NE2 A:GLN169 4.0 31.2 1.0 NH1 A:ARG165 4.1 18.8 1.0 CD D:LYS471 4.3 21.8 1.0 CH3 A:ACT205 4.3 17.0 0.6 CH3 A:ACT204 4.4 29.2 1.0 CZ A:ARG165 4.4 18.9 1.0 CG D:GLU474 4.4 19.2 1.0 CE D:LYS471 4.7 22.4 1.0 CB D:GLU474 4.8 16.2 1.0 CD A:GLN169 5.0 25.9 1.0

Zinc binding site 9 out of 10 in the Crystal Structure of Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group)


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 Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn201 b:22.5 occ:0.70 OE2 E:GLU170 2.0 23.8 1.0 O F:ACT501 2.0 37.7 0.7 OXT F:ACT501 2.1 37.4 0.7 NZ F:LYS465 2.1 34.4 1.0 C F:ACT501 2.3 33.7 0.7 CD E:GLU170 2.8 19.8 1.0 OE1 E:GLU170 2.9 20.9 1.0 CE F:LYS465 3.0 30.2 1.0 CD F:LYS465 3.4 26.7 1.0 O E:HOH310 3.8 51.5 1.0 CH3 F:ACT501 3.8 31.9 0.7 O E:HOH317 4.1 48.6 1.0 CG E:GLU170 4.2 17.3 1.0 OD1 F:ASN462 4.4 21.9 1.0 CD1 E:LEU173 4.4 21.4 1.0 O F:HOH629 4.4 46.2 1.0 CG F:LYS465 4.7 23.1 1.0 CB F:LYS465 4.9 19.3 1.0

Zinc binding site 10 out of 10 in the Crystal Structure of Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group)


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 Measles Virus Fusion Inhibitor MEK35GE Complexed with F Protein HR1 (HR1-42) (P21212 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn202 b:35.8 occ:0.70 OD2 E:ASP148 2.0 30.1 1.0 CG E:ASP148 3.0 27.9 1.0 OD1 E:ASP148 3.3 30.0 1.0 O E:SER144 4.1 33.4 1.0 CB E:ASP148 4.3 24.9 1.0 CB E:SER144 4.4 48.7 1.0 C E:SER144 4.4 36.4 1.0 O E:HOH301 4.4 54.8 1.0 OG E:SER144 4.7 57.2 1.0 N E:GLN145 4.8 32.7 1.0 O E:HOH327 5.0 55.2 1.0 CA E:SER144 5.0 43.0 1.0 CA E:GLN145 5.0 33.8 1.0

A.Takahara, T.Nakatsu, K.Hirata, H.Hayashi, K.Kawaji, S.Inuki, H.Ohno, H.Kato, E.Kodama, S.Oishi. Structure-Based Design of Measles Virus Fusion Inhibitors To Be Published.