Zinc in PDB 8sw9: Plasmodium Falciparum M17 (A460S) Mutant

All present enzymatic activity of Plasmodium Falciparum M17 (A460S) Mutant:
3.4.11.1;

The structure of Plasmodium Falciparum M17 (A460S) Mutant, PDB code: 8sw9 was solved by S.Mcgowan, C.Suraweera, N.Drinkwater, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.57 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	174.335, 176.725, 225.21, 90, 90, 90
R / Rfree (%)	23.5 / 28.1

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Zinc atom in the Plasmodium Falciparum M17 (A460S) Mutant (pdb code 8sw9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 24 binding sites of Zinc where determined in the Plasmodium Falciparum M17 (A460S) Mutant, PDB code: 8sw9:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 24 in the Plasmodium Falciparum M17 (A460S) Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Plasmodium Falciparum M17 (A460S) Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:32.2 occ:1.00 OD2 A:ASP379 2.0 39.3 1.0 OD1 A:ASP459 2.1 31.1 1.0 O A:ASP459 2.1 39.9 1.0 OE1 A:GLU461 2.2 31.5 1.0 ZN A:ZN702 2.8 32.2 1.0 CG A:ASP379 3.0 38.1 1.0 CD A:GLU461 3.0 31.8 1.0 CG A:ASP459 3.1 31.5 1.0 C A:ASP459 3.1 31.5 1.0 OE2 A:GLU461 3.1 31.8 1.0 OD1 A:ASP379 3.2 38.3 1.0 HA A:ASP459 3.2 30.7 1.0 HZ1 A:LYS386 3.5 30.0 1.0 OH7 A:1PE707 3.5 43.8 1.0 H A:GLU461 3.5 31.6 1.0 CA A:ASP459 3.6 30.7 1.0 H162 A:1PE707 3.6 42.2 1.0 CB A:ASP459 3.9 31.5 1.0 OD2 A:ASP459 3.9 35.2 1.0 HZ3 A:LYS386 4.0 30.0 1.0 HE2 A:LYS386 4.0 30.1 1.0 C16 A:1PE707 4.1 42.2 1.0 NZ A:LYS386 4.1 30.0 1.0 HA2 A:GLY381 4.1 33.8 1.0 HZ1 A:LYS374 4.1 31.5 1.0 O1 A:CO3703 4.1 38.9 1.0 HO7 A:1PE707 4.2 43.8 1.0 HA A:SER460 4.2 31.0 1.0 HD22 A:ASN432 4.2 31.7 1.0 N A:SER460 4.3 37.4 1.0 CB A:ASP379 4.3 31.3 1.0 N A:GLU461 4.3 31.6 1.0 HB3 A:ASP459 4.4 31.5 1.0 OD2 A:ASP399 4.4 31.6 1.0 CE A:LYS386 4.4 30.1 1.0 HE3 A:LYS386 4.4 30.1 1.0 CG A:GLU461 4.5 32.4 1.0 H A:GLY462 4.5 33.2 1.0 HB3 A:ASP379 4.5 31.3 1.0 H161 A:1PE707 4.5 42.2 1.0 HZ2 A:LYS374 4.5 31.5 1.0 HB2 A:ASP379 4.6 31.3 1.0 HB2 A:ASP459 4.7 31.5 1.0 CA A:SER460 4.7 31.0 1.0 HB3 A:GLU461 4.7 40.1 1.0 NZ A:LYS374 4.8 31.5 1.0 HG3 A:GLU461 4.9 32.4 1.0 HZ2 A:LYS386 4.9 30.0 1.0 ND2 A:ASN432 4.9 31.7 1.0 N A:ASP459 5.0 30.8 1.0 HD21 A:ASN432 5.0 31.7 1.0

Zinc binding site 2 out of 24 in the Plasmodium Falciparum M17 (A460S) Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Plasmodium Falciparum M17 (A460S) Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn702 b:32.2 occ:1.00 HZ1 A:LYS374 1.4 31.5 1.0 OE2 A:GLU461 2.1 31.8 1.0 OD2 A:ASP399 2.1 31.6 1.0 NZ A:LYS374 2.1 31.5 1.0 HZ2 A:LYS374 2.3 31.5 1.0 OD2 A:ASP379 2.4 39.3 1.0 H162 A:1PE707 2.7 42.2 1.0 HZ3 A:LYS374 2.8 31.5 1.0 ZN A:ZN701 2.8 32.2 1.0 CG A:ASP399 3.0 31.5 1.0 CE A:LYS374 3.0 32.0 1.0 HE2 A:LYS374 3.1 32.0 1.0 HE3 A:LYS374 3.1 32.0 1.0 CD A:GLU461 3.1 31.8 1.0 OD1 A:ASP399 3.2 31.3 1.0 OE1 A:GLU461 3.4 31.5 1.0 CG A:ASP379 3.5 38.1 1.0 C16 A:1PE707 3.5 42.2 1.0 HB2 A:ASP379 3.8 31.3 1.0 OH7 A:1PE707 3.8 43.8 1.0 H261 A:1PE707 3.8 39.3 1.0 HG13 A:ILE376 3.9 32.7 1.0 O1 A:CO3703 3.9 38.9 1.0 C26 A:1PE707 4.2 39.3 1.0 H A:GLY462 4.2 33.2 1.0 CB A:ASP379 4.2 31.3 1.0 O A:THR486 4.2 31.0 1.0 H161 A:1PE707 4.2 42.2 1.0 H262 A:1PE707 4.3 39.3 1.0 HB A:ILE376 4.4 32.6 1.0 O A:ASP459 4.4 39.9 1.0 HG21 A:ILE376 4.4 32.5 1.0 CB A:ASP399 4.4 31.6 1.0 HB3 A:ASP379 4.4 31.3 1.0 CD A:LYS374 4.4 32.1 1.0 HA3 A:GLY462 4.4 36.1 1.0 HO7 A:1PE707 4.5 43.8 1.0 OD1 A:ASP379 4.5 38.3 1.0 CG A:GLU461 4.5 32.4 1.0 HG2 A:GLU461 4.5 32.4 1.0 N A:GLY462 4.6 33.2 1.0 HB3 A:ASP399 4.6 31.6 1.0 HZ1 A:LYS386 4.6 30.0 1.0 CG1 A:ILE376 4.7 32.7 1.0 HD3 A:LYS374 4.7 32.1 1.0 HD2 A:LYS374 4.7 32.1 1.0 HG12 A:ILE376 4.8 32.7 1.0 OD1 A:ASP459 4.8 31.1 1.0 HB2 A:ASP399 4.8 31.6 1.0 O A:LEU487 4.8 33.0 1.0 H A:GLU461 4.8 31.6 1.0 HA2 A:GLY462 4.8 36.1 1.0 HA A:LEU487 4.8 30.9 1.0 HG1 A:THR486 4.9 33.9 1.0 HG3 A:GLU461 4.9 32.4 1.0 CA A:GLY462 4.9 36.1 1.0 HD12 A:LEU487 4.9 31.5 1.0 CB A:ILE376 4.9 32.6 1.0

Zinc binding site 3 out of 24 in the Plasmodium Falciparum M17 (A460S) Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Plasmodium Falciparum M17 (A460S) Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1002 b:29.6 occ:1.00 O B:ASP459 2.0 29.3 1.0 OD2 B:ASP379 2.0 29.9 1.0 OD1 B:ASP459 2.0 34.8 1.0 OE1 B:GLU461 2.1 30.0 1.0 CG B:ASP379 2.8 30.2 1.0 ZN B:ZN1003 2.9 35.5 1.0 HA B:ASP459 2.9 29.3 1.0 C B:ASP459 2.9 29.2 1.0 OD1 B:ASP379 3.0 30.2 1.0 CD B:GLU461 3.0 32.6 1.0 CG B:ASP459 3.1 33.8 1.0 CA B:ASP459 3.3 29.3 1.0 OE2 B:GLU461 3.3 30.3 1.0 H B:GLU461 3.4 29.8 1.0 HE2 B:LYS386 3.6 29.4 1.0 CB B:ASP459 3.8 29.0 1.0 HA2 B:GLY381 3.9 30.3 1.0 OD2 B:ASP459 4.0 33.8 1.0 O2 B:CO31001 4.1 30.5 1.0 N B:SER460 4.1 29.1 1.0 N B:GLU461 4.2 29.8 1.0 HA B:SER460 4.2 31.5 1.0 HZ1 B:LYS374 4.2 30.0 1.0 HB3 B:ASP459 4.2 29.0 1.0 CB B:ASP379 4.2 30.5 1.0 HZ1 B:LYS386 4.2 29.1 1.0 HZ3 B:LYS386 4.3 29.1 1.0 HE3 B:LYS386 4.3 29.4 1.0 OD2 B:ASP399 4.3 30.3 1.0 HD22 B:ASN432 4.3 30.7 1.0 CE B:LYS386 4.3 29.4 1.0 HZ2 B:LYS374 4.3 30.0 1.0 CG B:GLU461 4.4 34.3 1.0 HB3 B:GLU461 4.4 31.5 1.0 HB2 B:ASP379 4.4 30.5 1.0 H B:GLY462 4.4 30.1 1.0 NZ B:LYS386 4.5 29.1 1.0 HE2 B:MET396 4.5 33.3 1.0 HB2 B:ASP459 4.6 29.0 1.0 HB3 B:ASP379 4.6 30.5 1.0 CA B:SER460 4.6 31.5 1.0 N B:ASP459 4.7 29.3 1.0 O B:THR458 4.7 29.9 1.0 NZ B:LYS374 4.7 30.0 1.0 H B:GLY381 4.7 30.6 1.0 HG3 B:GLU461 4.8 34.3 1.0 CB B:GLU461 4.8 31.5 1.0 H B:SER460 4.9 29.1 1.0 CA B:GLY381 4.9 30.3 1.0 ND2 B:ASN432 4.9 30.7 1.0 C B:SER460 5.0 29.5 1.0 HD21 B:ASN432 5.0 30.7 1.0

Zinc binding site 4 out of 24 in the Plasmodium Falciparum M17 (A460S) Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Plasmodium Falciparum M17 (A460S) Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1003 b:35.5 occ:1.00 HZ1 B:LYS374 1.7 30.0 1.0 OD2 B:ASP399 2.0 30.3 1.0 OE2 B:GLU461 2.1 30.3 1.0 HZ2 B:LYS374 2.1 30.0 1.0 NZ B:LYS374 2.2 30.0 1.0 OD2 B:ASP379 2.6 29.9 1.0 ZN B:ZN1002 2.9 29.6 1.0 HZ3 B:LYS374 2.9 30.0 1.0 CD B:GLU461 3.0 32.6 1.0 CG B:ASP399 3.0 30.4 1.0 HE3 B:LYS374 3.1 30.3 1.0 CE B:LYS374 3.1 30.3 1.0 OE1 B:GLU461 3.2 30.0 1.0 HE2 B:LYS374 3.3 30.3 1.0 OD1 B:ASP399 3.3 30.1 1.0 CG B:ASP379 3.4 30.2 1.0 HB2 B:ASP379 3.6 30.5 1.0 O2 B:CO31001 3.6 30.5 1.0 HG13 B:ILE376 3.8 31.2 1.0 H B:GLY462 3.9 30.1 1.0 CB B:ASP379 4.0 30.5 1.0 HG21 B:ILE376 4.2 31.3 1.0 O B:ASP459 4.2 29.3 1.0 HA3 B:GLY462 4.2 31.0 1.0 HB3 B:ASP379 4.3 30.5 1.0 OD1 B:ASP379 4.3 30.2 1.0 O B:THR486 4.3 29.6 1.0 HB B:ILE376 4.3 31.3 1.0 CB B:ASP399 4.4 30.7 1.0 CG B:GLU461 4.4 34.3 1.0 N B:GLY462 4.4 30.1 1.0 HE2 B:MET396 4.4 33.3 1.0 HB3 B:ASP399 4.5 30.7 1.0 HE1 B:MET396 4.5 33.3 1.0 H B:GLU461 4.5 29.8 1.0 HE3 B:MET396 4.5 33.3 1.0 CD B:LYS374 4.5 30.4 1.0 HG2 B:GLU461 4.5 34.3 1.0 CG1 B:ILE376 4.6 31.2 1.0 HD2 B:LYS374 4.7 30.4 1.0 CE B:MET396 4.7 33.3 1.0 OD1 B:ASP459 4.7 34.8 1.0 CA B:GLY462 4.7 31.0 1.0 HB2 B:ASP399 4.7 30.7 1.0 HA2 B:GLY462 4.8 31.0 1.0 HG3 B:GLU461 4.8 34.3 1.0 HG12 B:ILE376 4.8 31.2 1.0 HG1 B:THR486 4.8 30.2 1.0 CB B:ILE376 4.8 31.3 1.0 C B:CO31001 4.9 32.0 1.0 HA B:LEU487 4.9 36.8 1.0 O B:LEU487 5.0 29.6 1.0 CG2 B:ILE376 5.0 31.3 1.0

Zinc binding site 5 out of 24 in the Plasmodium Falciparum M17 (A460S) Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Plasmodium Falciparum M17 (A460S) Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn701 b:29.2 occ:1.00 HZ1 C:LYS374 1.7 34.2 1.0 OD2 C:ASP399 2.0 29.4 1.0 OE2 C:GLU461 2.1 29.7 1.0 NZ C:LYS374 2.4 34.2 1.0 HZ2 C:LYS374 2.5 34.2 1.0 OD2 C:ASP379 2.5 35.0 1.0 CG C:ASP399 2.8 32.0 1.0 ZN C:ZN702 2.9 29.1 1.0 OD1 C:ASP399 3.0 40.7 1.0 HO2 C:1PE707 3.1 28.3 1.0 HE2 C:LYS374 3.1 29.7 1.0 HZ3 C:LYS374 3.1 34.2 1.0 CD C:GLU461 3.1 29.8 1.0 CE C:LYS374 3.1 29.7 1.0 HE3 C:LYS374 3.3 29.7 1.0 OE1 C:GLU461 3.4 30.8 1.0 CG C:ASP379 3.4 34.0 1.0 HB2 C:ASP379 3.6 33.4 1.0 OH2 C:1PE707 3.7 28.3 1.0 O1 C:CO3703 3.9 33.2 1.0 HG13 C:ILE376 3.9 30.3 1.0 CB C:ASP379 4.0 33.4 1.0 HG21 C:ILE376 4.0 33.7 1.0 H C:GLY462 4.0 30.6 1.0 HB3 C:ASP379 4.2 33.4 1.0 CB C:ASP399 4.2 29.5 1.0 HB C:ILE376 4.3 30.2 1.0 O C:THR486 4.3 28.6 1.0 OD1 C:ASP379 4.3 29.6 1.0 HA3 C:GLY462 4.4 29.8 1.0 O C:ASP459 4.4 29.0 1.0 HB3 C:ASP399 4.5 29.5 1.0 CG C:GLU461 4.5 30.2 1.0 HG1 C:THR486 4.5 29.0 1.0 HB2 C:ASP399 4.5 29.5 1.0 HG12 C:ILE376 4.5 30.3 1.0 N C:GLY462 4.6 30.6 1.0 HG2 C:GLU461 4.6 30.2 1.0 CG1 C:ILE376 4.6 30.3 1.0 CD C:LYS374 4.6 37.4 1.0 H C:GLU461 4.7 29.8 1.0 HZ1 C:LYS386 4.7 44.3 1.0 CB C:ILE376 4.8 30.2 1.0 CG2 C:ILE376 4.8 33.7 1.0 OD1 C:ASP459 4.8 35.9 1.0 HD3 C:LYS374 4.8 37.4 1.0 CA C:GLY462 4.9 29.8 1.0 HA2 C:GLY462 4.9 29.8 1.0 HG3 C:GLU461 4.9 30.2 1.0 HD2 C:LYS374 4.9 37.4 1.0 C12 C:1PE707 4.9 30.3 1.0 HA C:LEU487 5.0 34.8 1.0

Zinc binding site 6 out of 24 in the Plasmodium Falciparum M17 (A460S) Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Plasmodium Falciparum M17 (A460S) Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn702 b:29.1 occ:1.00 O C:ASP459 1.9 29.0 1.0 OD2 C:ASP379 2.0 35.0 1.0 OE1 C:GLU461 2.1 30.8 1.0 OD1 C:ASP459 2.2 35.9 1.0 C C:ASP459 2.9 29.2 1.0 ZN C:ZN701 2.9 29.2 1.0 HA C:ASP459 2.9 29.2 1.0 CG C:ASP379 3.0 34.0 1.0 CD C:GLU461 3.0 29.8 1.0 OE2 C:GLU461 3.2 29.7 1.0 CG C:ASP459 3.2 34.8 1.0 OD1 C:ASP379 3.2 29.6 1.0 H C:GLU461 3.3 29.8 1.0 CA C:ASP459 3.3 29.2 1.0 HZ1 C:LYS386 3.4 44.3 1.0 CB C:ASP459 3.8 36.1 1.0 HE2 C:LYS386 4.0 41.7 1.0 HD22 C:ASN432 4.0 30.2 1.0 N C:SER460 4.0 29.8 1.0 HA2 C:GLY381 4.0 29.5 1.0 HA C:SER460 4.1 29.7 1.0 N C:GLU461 4.1 29.8 1.0 NZ C:LYS386 4.1 44.3 1.0 HZ3 C:LYS386 4.2 44.3 1.0 O1 C:CO3703 4.2 33.2 1.0 HB3 C:ASP459 4.2 36.1 1.0 OD2 C:ASP459 4.2 29.1 1.0 CB C:ASP379 4.4 33.4 1.0 HZ1 C:LYS374 4.4 34.2 1.0 H C:GLY462 4.4 30.6 1.0 CG C:GLU461 4.4 30.2 1.0 CE C:LYS386 4.4 41.7 1.0 OD2 C:ASP399 4.5 29.4 1.0 CA C:SER460 4.5 29.7 1.0 HO2 C:1PE707 4.5 28.3 1.0 HB3 C:GLU461 4.5 30.3 1.0 HE3 C:LYS386 4.6 41.7 1.0 HZ2 C:LYS374 4.6 34.2 1.0 HB2 C:ASP379 4.6 33.4 1.0 ND2 C:ASN432 4.6 30.2 1.0 HB3 C:ASP379 4.6 33.4 1.0 HB2 C:ASP459 4.6 36.1 1.0 OH2 C:1PE707 4.6 28.3 1.0 HD21 C:ASN432 4.6 30.2 1.0 O C:THR458 4.7 30.0 1.0 N C:ASP459 4.7 38.8 1.0 H C:SER460 4.8 29.8 1.0 HG3 C:GLU461 4.8 30.2 1.0 C C:SER460 4.8 32.5 1.0 HZ2 C:LYS386 4.9 44.3 1.0 CB C:GLU461 4.9 30.3 1.0 NZ C:LYS374 4.9 34.2 1.0 CA C:GLY381 5.0 29.5 1.0 H C:GLY381 5.0 34.9 1.0

Zinc binding site 7 out of 24 in the Plasmodium Falciparum M17 (A460S) Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Plasmodium Falciparum M17 (A460S) Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn701 b:25.1 occ:1.00 O D:ASP459 2.0 23.1 1.0 OD2 D:ASP379 2.0 25.9 1.0 OD1 D:ASP459 2.1 27.7 1.0 OE1 D:GLU461 2.1 24.9 1.0 CG D:ASP379 2.9 28.1 1.0 ZN D:ZN702 2.9 31.0 1.0 C D:ASP459 3.0 23.1 1.0 HA D:ASP459 3.0 22.9 1.0 OD1 D:ASP379 3.0 27.1 1.0 CD D:GLU461 3.1 24.5 1.0 CG D:ASP459 3.1 23.1 1.0 HZ1 D:LYS386 3.2 25.5 1.0 OE2 D:GLU461 3.3 22.6 1.0 H D:GLU461 3.3 27.4 1.0 CA D:ASP459 3.4 22.9 1.0 CB D:ASP459 3.8 24.5 1.0 HE2 D:LYS386 3.8 23.7 1.0 HA2 D:GLY381 3.9 25.6 1.0 NZ D:LYS386 3.9 25.5 1.0 HO2 D:1PE707 4.0 36.5 1.0 OD2 D:ASP459 4.0 29.2 1.0 HZ3 D:LYS386 4.1 25.5 1.0 HD22 D:ASN432 4.1 22.2 1.0 O2 D:CO3703 4.1 25.8 1.0 N D:SER460 4.1 23.2 1.0 HB3 D:ASP459 4.1 24.5 1.0 HZ1 D:LYS374 4.2 32.8 1.0 HA D:SER460 4.2 23.3 1.0 N D:GLU461 4.2 27.4 1.0 CB D:ASP379 4.3 27.1 1.0 CE D:LYS386 4.3 23.7 1.0 OD2 D:ASP399 4.3 25.6 1.0 HE3 D:LYS386 4.4 23.7 1.0 H D:GLY462 4.4 26.4 1.0 HB3 D:GLU461 4.4 22.6 1.0 OH2 D:1PE707 4.4 36.5 1.0 CG D:GLU461 4.4 24.8 1.0 HB2 D:ASP379 4.5 27.1 1.0 HB3 D:ASP379 4.6 27.1 1.0 CA D:SER460 4.6 23.3 1.0 HB2 D:ASP459 4.6 24.5 1.0 HZ2 D:LYS386 4.7 25.5 1.0 ND2 D:ASN432 4.7 22.2 1.0 HD21 D:ASN432 4.7 22.2 1.0 H D:GLY381 4.8 23.9 1.0 N D:ASP459 4.8 25.4 1.0 HZ3 D:LYS374 4.8 32.8 1.0 CA D:GLY381 4.8 25.6 1.0 CB D:GLU461 4.8 22.6 1.0 O D:THR458 4.8 24.1 1.0 NZ D:LYS374 4.8 32.8 1.0 H D:SER460 4.9 23.2 1.0 HG3 D:GLU461 4.9 24.8 1.0 C D:SER460 4.9 23.1 1.0

Zinc binding site 8 out of 24 in the Plasmodium Falciparum M17 (A460S) Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Plasmodium Falciparum M17 (A460S) Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn702 b:31.0 occ:1.00 HZ1 D:LYS374 1.5 32.8 1.0 OD2 D:ASP399 2.0 25.6 1.0 OE2 D:GLU461 2.1 22.6 1.0 NZ D:LYS374 2.2 32.8 1.0 HZ3 D:LYS374 2.2 32.8 1.0 OD2 D:ASP379 2.5 25.9 1.0 HZ2 D:LYS374 2.7 32.8 1.0 ZN D:ZN701 2.9 25.1 1.0 CD D:GLU461 3.0 24.5 1.0 CG D:ASP399 3.0 34.5 1.0 OE1 D:GLU461 3.2 24.9 1.0 HE3 D:LYS374 3.3 22.8 1.0 CE D:LYS374 3.3 22.8 1.0 OD1 D:ASP399 3.3 31.4 1.0 CG D:ASP379 3.4 28.1 1.0 HO2 D:1PE707 3.5 36.5 1.0 HG13 D:ILE376 3.6 25.0 1.0 HB2 D:ASP379 3.6 27.1 1.0 HE2 D:LYS374 3.6 22.8 1.0 O2 D:CO3703 3.7 25.8 1.0 H D:GLY462 3.9 26.4 1.0 CB D:ASP379 4.0 27.1 1.0 HG21 D:ILE376 4.0 24.0 1.0 H122 D:1PE707 4.0 38.3 1.0 OH2 D:1PE707 4.1 36.5 1.0 OD1 D:ASP379 4.2 27.1 1.0 HB3 D:ASP379 4.2 27.1 1.0 HA3 D:GLY462 4.2 23.0 1.0 HB D:ILE376 4.3 22.8 1.0 O D:ASP459 4.3 23.1 1.0 O D:THR486 4.3 32.9 1.0 CB D:ASP399 4.3 30.8 1.0 CG D:GLU461 4.4 24.8 1.0 N D:GLY462 4.4 26.4 1.0 HB3 D:ASP399 4.4 30.8 1.0 HG2 D:GLU461 4.4 24.8 1.0 CG1 D:ILE376 4.4 25.0 1.0 HD2 D:LYS374 4.5 29.4 1.0 C12 D:1PE707 4.6 38.3 1.0 CD D:LYS374 4.6 29.4 1.0 H D:GLU461 4.6 27.4 1.0 HZ1 D:LYS386 4.6 25.5 1.0 HA2 D:GLY462 4.7 23.0 1.0 CA D:GLY462 4.7 23.0 1.0 CB D:ILE376 4.7 22.8 1.0 HB2 D:ASP399 4.7 30.8 1.0 HG12 D:ILE376 4.8 25.0 1.0 CG2 D:ILE376 4.8 24.0 1.0 HG1 D:THR486 4.8 22.9 1.0 OD1 D:ASP459 4.8 27.7 1.0 HG3 D:GLU461 4.8 24.8 1.0 H121 D:1PE707 4.9 38.3 1.0

Zinc binding site 9 out of 24 in the Plasmodium Falciparum M17 (A460S) Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Plasmodium Falciparum M17 (A460S) Mutant within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn701 b:24.0 occ:1.00 HZ1 E:LYS374 1.4 40.7 1.0 OD2 E:ASP399 1.9 26.9 1.0 OE2 E:GLU461 2.1 23.7 1.0 NZ E:LYS374 2.3 40.7 1.0 OD2 E:ASP379 2.6 34.1 1.0 HZ2 E:LYS374 2.7 40.7 1.0 HZ3 E:LYS374 2.7 40.7 1.0 ZN E:ZN702 2.8 38.3 1.0 H122 E:1PE706 2.9 23.6 1.0 CG E:ASP399 2.9 32.7 1.0 CE E:LYS374 3.1 29.1 1.0 HE2 E:LYS374 3.1 29.1 1.0 CD E:GLU461 3.1 22.5 1.0 HE3 E:LYS374 3.1 29.1 1.0 HO2 E:1PE706 3.1 27.9 1.0 OD1 E:ASP399 3.2 24.1 1.0 OE1 E:GLU461 3.4 31.9 1.0 CG E:ASP379 3.4 23.4 1.0 C12 E:1PE706 3.6 23.6 1.0 OH2 E:1PE706 3.7 27.9 1.0 HG13 E:ILE376 3.7 27.8 1.0 HB2 E:ASP379 3.7 22.7 1.0 H121 E:1PE706 3.7 23.6 1.0 O1 E:CO3703 3.8 38.7 1.0 H E:GLY462 4.0 26.9 1.0 CB E:ASP379 4.1 22.7 1.0 OD1 E:ASP379 4.2 25.1 1.0 O E:THR486 4.2 35.4 1.0 CB E:ASP399 4.3 24.9 1.0 HG21 E:ILE376 4.3 31.4 1.0 HA3 E:GLY462 4.3 28.7 1.0 HB3 E:ASP379 4.3 22.7 1.0 O E:ASP459 4.3 26.1 1.0 HB E:ILE376 4.4 32.0 1.0 HB3 E:ASP399 4.4 24.9 1.0 CG E:GLU461 4.4 22.3 1.0 HG1 E:THR486 4.5 29.5 1.0 N E:GLY462 4.5 26.9 1.0 HE2 E:MET396 4.5 28.7 1.0 CD E:LYS374 4.5 26.5 1.0 HG2 E:GLU461 4.5 22.3 1.0 HB2 E:ASP399 4.6 24.9 1.0 CG1 E:ILE376 4.6 27.8 1.0 H E:GLU461 4.7 27.8 1.0 HA2 E:GLY462 4.7 28.7 1.0 CA E:GLY462 4.7 28.7 1.0 HD2 E:LYS374 4.8 26.5 1.0 OD1 E:ASP459 4.8 37.0 1.0 HD3 E:LYS374 4.8 26.5 1.0 CB E:ILE376 4.9 32.0 1.0 C22 E:1PE706 4.9 34.0 1.0 HG3 E:GLU461 4.9 22.3 1.0 HA E:LEU487 4.9 30.5 1.0

Zinc binding site 10 out of 24 in the Plasmodium Falciparum M17 (A460S) Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Plasmodium Falciparum M17 (A460S) Mutant within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn702 b:38.3 occ:1.00 OD2 E:ASP379 2.0 34.1 1.0 O E:ASP459 2.0 26.1 1.0 OD1 E:ASP459 2.2 37.0 1.0 OE1 E:GLU461 2.2 31.9 1.0 HO2 E:1PE706 2.7 27.9 1.0 ZN E:ZN701 2.8 24.0 1.0 CG E:ASP379 2.9 23.4 1.0 CD E:GLU461 3.0 22.5 1.0 C E:ASP459 3.1 27.9 1.0 OE2 E:GLU461 3.1 23.7 1.0 CG E:ASP459 3.2 26.8 1.0 OD1 E:ASP379 3.2 25.1 1.0 HA E:ASP459 3.2 29.5 1.0 H E:GLU461 3.4 27.8 1.0 OH2 E:1PE706 3.5 27.9 1.0 CA E:ASP459 3.6 29.5 1.0 HE2 E:LYS386 3.6 28.4 1.0 CB E:ASP459 3.9 25.9 1.0 HZ1 E:LYS386 3.9 25.7 1.0 HZ1 E:LYS374 3.9 40.7 1.0 HA2 E:GLY381 4.0 24.6 1.0 OD2 E:ASP459 4.0 23.3 1.0 HD22 E:ASN432 4.0 22.3 1.0 HA E:SER460 4.1 34.6 1.0 HZ3 E:LYS386 4.1 25.7 1.0 OD2 E:ASP399 4.2 26.9 1.0 N E:SER460 4.2 28.5 1.0 N E:GLU461 4.2 27.8 1.0 H122 E:1PE706 4.2 23.6 1.0 O1 E:CO3703 4.3 38.7 1.0 CE E:LYS386 4.3 28.4 1.0 CB E:ASP379 4.3 22.7 1.0 NZ E:LYS386 4.3 25.7 1.0 HE3 E:LYS386 4.3 28.4 1.0 C12 E:1PE706 4.4 23.6 1.0 H E:GLY462 4.4 26.9 1.0 HB3 E:ASP459 4.4 25.9 1.0 CG E:GLU461 4.5 22.3 1.0 H121 E:1PE706 4.5 23.6 1.0 HB3 E:ASP379 4.5 22.7 1.0 HB2 E:ASP379 4.6 22.7 1.0 HB3 E:GLU461 4.6 22.4 1.0 CA E:SER460 4.6 34.6 1.0 ND2 E:ASN432 4.7 22.3 1.0 HB2 E:ASP459 4.7 25.9 1.0 NZ E:LYS374 4.8 40.7 1.0 HD21 E:ASN432 4.8 22.3 1.0 H E:GLY381 4.8 26.9 1.0 HZ2 E:LYS374 4.8 40.7 1.0 HG3 E:GLU461 4.9 22.3 1.0 CA E:GLY381 4.9 24.6 1.0 CB E:GLU461 4.9 22.4 1.0 C E:SER460 4.9 30.4 1.0 N E:ASP459 5.0 28.3 1.0 H E:SER460 5.0 28.5 1.0

T.F.De Koning-Ward, N.Drinkwater, R.C.S.Edgar, S.Mcgowan, P.J.Scammells. Characterisation of A Novel Antimalarial Agent Targeting Haemaglobin Digestion That Shows Cross-Species Reactivity and Excellent in Vivo Properties. Mbio 2024.
ISSN: ESSN 2150-7511