Zinc in PDB 2pvx: uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin

The structure of uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin, PDB code: 2pvx was solved by L.Wang, D.M.Lemaster, G.Hernandez, H.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.04
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.260, 45.840, 95.080, 90.00, 98.43, 90.00
R / Rfree (%)	13.9 / 18

The binding sites of Zinc atom in the uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin (pdb code 2pvx). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin, PDB code: 2pvx:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in the uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn901 b:9.1 occ:1.00 SG A:CYS42 2.3 9.4 1.0 SG A:CYS9 2.3 9.7 1.0 SG A:CYS6 2.3 8.8 1.0 SG A:CYS39 2.4 8.9 1.0 HB3 A:CYS42 3.1 13.1 1.0 H A:CYS9 3.2 12.1 1.0 CB A:CYS39 3.2 8.2 1.0 HB3 A:CYS39 3.2 9.8 1.0 HB2 A:CYS39 3.2 9.8 1.0 HB3 A:CYS9 3.2 12.3 1.0 CB A:CYS6 3.2 8.6 1.0 H A:CYS42 3.3 13.0 1.0 HB3 A:CYS6 3.3 10.3 1.0 CB A:CYS42 3.3 10.9 1.0 HB2 A:CYS6 3.3 10.3 1.0 CB A:CYS9 3.4 10.2 1.0 HG23 A:VAL44 3.4 12.3 0.7 HB3 A:TYR11 3.6 9.6 1.0 HB A:VAL8 3.6 13.1 1.0 N A:CYS9 3.7 10.1 1.0 N A:CYS42 3.8 10.8 1.0 HG11 A:VAL44 3.9 18.6 0.3 H A:TYR11 4.0 10.0 1.0 HB2 A:LEU41 4.0 17.4 1.0 CA A:CYS42 4.1 10.6 1.0 CA A:CYS9 4.1 10.4 1.0 HB2 A:CYS42 4.1 13.1 1.0 HB2 A:TYR11 4.1 9.6 1.0 HB2 A:CYS9 4.2 12.3 1.0 CG2 A:VAL44 4.3 8.2 0.7 HG21 A:VAL44 4.3 12.3 0.7 CB A:TYR11 4.3 8.0 1.0 H A:VAL44 4.4 11.3 1.0 HZ A:PHE49 4.5 10.1 1.0 H A:LEU41 4.5 15.0 1.0 H A:GLY10 4.5 10.9 1.0 H A:GLY43 4.5 11.6 1.0 HG12 A:VAL44 4.5 18.6 0.3 H A:VAL8 4.6 11.0 1.0 CB A:VAL8 4.6 10.9 1.0 HG22 A:VAL44 4.6 12.3 0.7 CA A:CYS39 4.6 8.9 1.0 CG1 A:VAL44 4.6 12.4 0.3 CA A:CYS6 4.7 8.0 1.0 C A:CYS9 4.7 10.0 1.0 HB A:VAL44 4.7 10.9 0.3 C A:CYS42 4.7 10.2 1.0 N A:TYR11 4.8 8.3 1.0 C A:VAL8 4.8 10.4 1.0 C A:LEU41 4.8 12.6 1.0 N A:GLY10 4.8 9.1 1.0 HG11 A:VAL8 4.8 20.4 1.0 N A:GLY43 4.9 9.7 1.0 HA A:CYS42 4.9 12.7 1.0 CB A:LEU41 4.9 14.5 1.0 HA A:CYS9 4.9 12.4 1.0 HA A:CYS6 4.9 9.6 1.0 HA A:CYS39 4.9 10.7 1.0 CZ A:PHE49 5.0 8.4 1.0

Zinc binding site 2 out of 8 in the uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn902 b:9.4 occ:1.00 SG B:CYS142 2.3 10.4 1.0 SG B:CYS109 2.3 10.3 1.0 SG B:CYS106 2.3 9.3 1.0 SG B:CYS139 2.4 9.0 1.0 H B:CYS142 3.2 14.3 1.0 HB3 B:CYS142 3.2 14.5 1.0 HB3 B:CYS139 3.2 9.9 1.0 CB B:CYS139 3.2 8.2 1.0 H B:CYS109 3.2 12.2 1.0 HB3 B:CYS109 3.2 12.1 1.0 CB B:CYS106 3.2 8.2 1.0 HB2 B:CYS139 3.2 9.9 1.0 HB3 B:CYS106 3.2 9.8 1.0 HB2 B:CYS106 3.3 9.8 1.0 CB B:CYS142 3.3 12.1 1.0 CB B:CYS109 3.4 10.0 1.0 HG11 B:VAL144 3.5 17.1 1.0 HB B:VAL108 3.6 13.4 1.0 HB3 B:TYR111 3.7 11.2 1.0 N B:CYS142 3.8 11.9 1.0 N B:CYS109 3.8 10.2 1.0 HB2 B:LEU141 3.9 19.4 1.0 H B:TYR111 4.0 10.4 1.0 CA B:CYS142 4.1 11.6 1.0 CA B:CYS109 4.1 10.0 1.0 HB2 B:CYS142 4.1 14.5 1.0 HB2 B:TYR111 4.1 11.2 1.0 HG12 B:VAL144 4.1 17.1 1.0 HB2 B:CYS109 4.2 12.1 1.0 CG1 B:VAL144 4.3 11.4 1.0 HZ B:PHE149 4.3 10.9 1.0 H B:VAL144 4.4 12.8 1.0 CB B:TYR111 4.4 9.3 1.0 H B:LEU141 4.4 15.3 1.0 H B:GLY143 4.5 12.4 1.0 H B:GLY110 4.5 11.1 1.0 CB B:VAL108 4.5 11.2 1.0 H B:VAL108 4.5 12.3 1.0 CA B:CYS139 4.6 8.9 1.0 CA B:CYS106 4.7 8.1 1.0 C B:CYS109 4.7 10.0 1.0 HG11 B:VAL108 4.8 21.5 1.0 CB B:LEU141 4.8 16.2 1.0 C B:VAL108 4.8 11.3 1.0 C B:CYS142 4.8 10.8 1.0 C B:LEU141 4.8 13.4 1.0 N B:TYR111 4.8 8.7 1.0 N B:GLY110 4.8 9.2 1.0 CZ B:PHE149 4.9 9.1 1.0 HG13 B:VAL144 4.9 17.1 1.0 HA B:CYS142 4.9 13.9 1.0 N B:GLY143 4.9 10.3 1.0 HA B:CYS139 4.9 10.7 1.0 HA B:CYS109 4.9 12.0 1.0 HB B:VAL144 4.9 15.2 1.0 HA B:CYS106 5.0 9.8 1.0

Zinc binding site 3 out of 8 in the uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn903 b:10.3 occ:1.00 SG C:CYS209 2.3 10.8 1.0 SG C:CYS206 2.3 9.7 1.0 SG C:CYS242 2.3 11.1 1.0 SG C:CYS239 2.4 9.8 1.0 HB3 C:CYS242 3.1 14.8 1.0 H C:CYS242 3.1 14.0 1.0 H C:CYS209 3.2 12.8 1.0 CB C:CYS239 3.2 10.0 1.0 HB3 C:CYS239 3.2 12.0 1.0 CB C:CYS206 3.2 8.9 1.0 HB3 C:CYS206 3.2 10.6 1.0 HB2 C:CYS239 3.2 12.0 1.0 HB3 C:CYS209 3.3 13.1 1.0 HB2 C:CYS206 3.3 10.6 1.0 CB C:CYS242 3.3 12.3 1.0 CB C:CYS209 3.4 10.9 1.0 HB C:VAL208 3.5 15.0 1.0 HG11 C:VAL244 3.6 16.9 1.0 HB3 C:TYR211 3.7 11.3 1.0 N C:CYS242 3.7 11.7 1.0 HB2 C:LEU241 3.8 16.2 1.0 N C:CYS209 3.8 10.7 1.0 H C:TYR211 4.1 10.4 1.0 CA C:CYS242 4.1 12.0 1.0 HB2 C:CYS242 4.1 14.8 1.0 CA C:CYS209 4.1 10.9 1.0 HB2 C:TYR211 4.1 11.3 1.0 HB2 C:CYS209 4.2 13.1 1.0 HG12 C:VAL244 4.2 16.9 1.0 H C:LEU241 4.3 14.8 1.0 CG1 C:VAL244 4.3 11.3 1.0 H C:VAL244 4.4 13.6 1.0 HZ C:PHE249 4.4 12.1 1.0 CB C:TYR211 4.4 9.4 1.0 H C:GLY210 4.4 11.3 1.0 H C:VAL208 4.5 12.2 1.0 CB C:VAL208 4.5 12.5 1.0 H C:GLY243 4.5 13.8 1.0 CA C:CYS206 4.6 7.7 1.0 CA C:CYS239 4.7 9.9 1.0 CB C:LEU241 4.7 13.5 1.0 C C:LEU241 4.7 12.3 1.0 C C:CYS209 4.7 9.4 1.0 C C:CYS242 4.8 10.9 1.0 C C:VAL208 4.8 11.7 1.0 N C:GLY210 4.8 9.4 1.0 N C:TYR211 4.8 8.7 1.0 HG13 C:VAL208 4.9 23.2 1.0 CZ C:PHE249 4.9 10.1 1.0 HA C:CYS242 4.9 14.4 1.0 N C:GLY243 4.9 11.5 1.0 HB C:VAL244 4.9 15.3 1.0 HA C:CYS206 4.9 9.2 1.0 N C:LEU241 4.9 12.4 1.0 HA C:CYS209 5.0 13.1 1.0 HA C:CYS239 5.0 11.9 1.0 HG13 C:VAL244 5.0 16.9 1.0

Zinc binding site 4 out of 8 in the uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn904 b:10.3 occ:1.00 SG D:CYS309 2.3 11.5 1.0 SG D:CYS342 2.3 10.8 1.0 SG D:CYS306 2.3 9.9 1.0 SG D:CYS339 2.4 9.9 1.0 HB3 D:CYS342 3.2 14.2 1.0 H D:CYS342 3.2 14.0 1.0 HB3 D:CYS339 3.2 11.4 1.0 CB D:CYS339 3.2 9.5 1.0 H D:CYS309 3.2 13.6 1.0 HB3 D:CYS309 3.2 13.6 1.0 HB3 D:CYS306 3.2 11.3 1.0 CB D:CYS306 3.2 9.4 1.0 HB2 D:CYS339 3.3 11.4 1.0 CB D:CYS342 3.3 11.8 1.0 HB2 D:CYS306 3.3 11.3 1.0 CB D:CYS309 3.4 11.3 1.0 HB D:VAL308 3.5 14.1 1.0 HG11 D:VAL344 3.6 16.8 1.0 HB3 D:TYR311 3.7 12.7 1.0 N D:CYS342 3.8 11.7 1.0 N D:CYS309 3.8 11.3 1.0 HB2 D:LEU341 3.8 17.8 1.0 H D:TYR311 4.0 12.9 1.0 CA D:CYS342 4.1 11.6 1.0 HB2 D:TYR311 4.1 12.7 1.0 HB2 D:CYS342 4.1 14.2 1.0 CA D:CYS309 4.1 11.8 1.0 HB2 D:CYS309 4.2 13.6 1.0 HG12 D:VAL344 4.2 16.8 1.0 H D:LEU341 4.3 15.3 1.0 CG1 D:VAL344 4.3 11.2 1.0 CB D:TYR311 4.4 10.6 1.0 H D:VAL344 4.4 11.5 1.0 H D:VAL308 4.4 13.3 1.0 H D:GLY343 4.5 13.2 1.0 CB D:VAL308 4.5 11.7 1.0 HZ D:PHE349 4.5 12.2 1.0 H D:GLY310 4.6 12.8 1.0 CA D:CYS306 4.7 8.9 1.0 CA D:CYS339 4.7 9.0 1.0 HG11 D:VAL308 4.7 19.9 1.0 CB D:LEU341 4.7 14.8 1.0 C D:VAL308 4.7 11.6 1.0 C D:LEU341 4.7 14.0 1.0 C D:CYS309 4.8 10.8 1.0 C D:CYS342 4.8 10.4 1.0 N D:TYR311 4.8 10.8 1.0 N D:GLY343 4.9 11.0 1.0 N D:GLY310 4.9 10.6 1.0 HA D:CYS342 4.9 13.9 1.0 HA D:CYS309 5.0 14.1 1.0 HG13 D:VAL344 5.0 16.8 1.0 HA D:CYS306 5.0 10.7 1.0 N D:LEU341 5.0 12.7 1.0 CA D:VAL308 5.0 11.6 1.0 HB D:VAL344 5.0 13.3 1.0 HA D:CYS339 5.0 10.8 1.0 HG D:LEU341 5.0 18.4 1.0

Zinc binding site 5 out of 8 in the uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn905 b:12.5 occ:1.00 SG E:CYS409 2.3 13.2 1.0 SG E:CYS442 2.3 13.1 1.0 SG E:CYS406 2.3 10.8 1.0 SG E:CYS439 2.4 12.3 1.0 HB3 E:CYS442 3.0 18.3 1.0 H E:CYS442 3.1 19.2 1.0 CB E:CYS439 3.2 11.5 1.0 HB3 E:CYS439 3.2 13.8 1.0 HB2 E:CYS439 3.2 13.8 1.0 CB E:CYS442 3.2 15.2 1.0 CB E:CYS406 3.3 10.8 1.0 HB3 E:CYS409 3.3 15.2 1.0 HB3 E:CYS406 3.3 13.0 1.0 HB2 E:CYS406 3.3 13.0 1.0 H E:CYS409 3.3 13.1 1.0 HG23 E:VAL444 3.4 17.7 0.6 CB E:CYS409 3.4 12.7 1.0 HB3 E:TYR411 3.6 13.9 1.0 HB E:VAL408 3.6 13.6 1.0 N E:CYS442 3.7 16.0 1.0 HG11 E:VAL444 3.8 16.9 0.4 N E:CYS409 3.8 10.9 1.0 HB2 E:LEU441 3.9 23.0 1.0 H E:TYR411 4.0 13.6 1.0 HB2 E:CYS442 4.0 18.3 1.0 HB2 E:TYR411 4.0 13.9 1.0 CA E:CYS442 4.0 14.9 1.0 CA E:CYS409 4.1 11.0 1.0 HB2 E:CYS409 4.2 15.2 1.0 CG2 E:VAL444 4.2 11.8 0.6 HG21 E:VAL444 4.2 17.7 0.6 CB E:TYR411 4.3 11.6 1.0 H E:VAL444 4.3 14.9 1.0 HG12 E:VAL444 4.4 16.9 0.4 H E:GLY443 4.4 17.4 1.0 H E:LEU441 4.5 21.4 1.0 CG1 E:VAL444 4.5 11.3 0.4 HG22 E:VAL444 4.5 17.7 0.6 HZ E:PHE449 4.5 12.0 1.0 H E:GLY410 4.5 12.0 1.0 H E:VAL408 4.5 12.1 1.0 CB E:VAL408 4.5 11.3 1.0 HB E:VAL444 4.6 15.2 0.4 HG11 E:VAL408 4.6 18.4 1.0 CA E:CYS439 4.7 11.6 1.0 CA E:CYS406 4.7 9.1 1.0 C E:VAL408 4.7 11.3 1.0 C E:CYS409 4.7 11.3 1.0 C E:LEU441 4.7 20.8 1.0 C E:CYS442 4.7 14.3 1.0 N E:TYR411 4.8 11.3 1.0 CB E:LEU441 4.8 19.2 1.0 N E:GLY443 4.8 14.5 1.0 N E:GLY410 4.8 10.0 1.0 HA E:CYS442 4.9 17.9 1.0 HE2 E:PHE449 4.9 11.7 1.0 HA E:CYS439 5.0 13.9 1.0 CZ E:PHE449 5.0 10.0 1.0 HA E:CYS409 5.0 13.2 1.0 HA E:CYS406 5.0 10.9 1.0 CG1 E:VAL408 5.0 12.3 1.0 HG12 E:VAL408 5.0 18.4 1.0

Zinc binding site 6 out of 8 in the uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn906 b:11.5 occ:1.00 SG F:CYS542 2.3 12.0 1.0 SG F:CYS509 2.3 12.2 1.0 SG F:CYS506 2.4 10.3 1.0 SG F:CYS539 2.4 11.0 1.0 H F:CYS542 3.1 17.6 1.0 HB3 F:CYS542 3.1 16.3 1.0 HB3 F:CYS509 3.2 12.8 1.0 CB F:CYS539 3.2 10.4 1.0 HB3 F:CYS506 3.2 10.5 1.0 HB3 F:CYS539 3.2 12.5 1.0 CB F:CYS506 3.2 8.8 1.0 HB2 F:CYS539 3.3 12.5 1.0 CB F:CYS542 3.3 13.6 1.0 HB2 F:CYS506 3.3 10.5 1.0 HG23 F:VAL544 3.4 12.5 0.7 CB F:CYS509 3.4 10.7 1.0 H F:CYS509 3.4 12.3 1.0 HB3 F:TYR511 3.6 11.6 1.0 HB F:VAL508 3.6 12.1 1.0 N F:CYS542 3.7 14.6 1.0 N F:CYS509 3.8 10.2 1.0 HB2 F:LEU541 3.9 22.6 1.0 HG11 F:VAL544 3.9 10.6 0.3 H F:TYR511 4.0 11.1 1.0 CA F:CYS542 4.0 14.8 1.0 HB2 F:CYS542 4.1 16.3 1.0 CA F:CYS509 4.1 10.1 1.0 CG2 F:VAL544 4.1 8.3 0.7 HB2 F:CYS509 4.1 12.8 1.0 HB2 F:TYR511 4.2 11.6 1.0 HG21 F:VAL544 4.2 12.5 0.7 HG22 F:VAL544 4.3 12.5 0.7 CB F:TYR511 4.4 9.7 1.0 H F:VAL544 4.4 14.3 1.0 H F:GLY543 4.4 16.5 1.0 H F:LEU541 4.5 19.5 1.0 HG12 F:VAL544 4.5 10.6 0.3 HZ F:PHE549 4.5 11.6 1.0 H F:VAL508 4.5 10.9 1.0 H F:GLY510 4.5 11.0 1.0 CB F:VAL508 4.6 10.1 1.0 HB F:VAL544 4.6 14.8 0.3 CG1 F:VAL544 4.6 7.1 0.3 CA F:CYS539 4.7 10.5 1.0 CA F:CYS506 4.7 7.8 1.0 C F:LEU541 4.7 17.8 1.0 C F:CYS509 4.7 9.9 1.0 C F:CYS542 4.7 14.2 1.0 C F:VAL508 4.7 9.5 1.0 CB F:LEU541 4.8 18.8 1.0 HG11 F:VAL508 4.8 17.9 1.0 N F:TYR511 4.8 9.2 1.0 N F:GLY543 4.8 13.8 1.0 O F:HOH991 4.8 42.9 1.0 N F:GLY510 4.9 9.2 1.0 HA F:CYS542 4.9 17.8 1.0 HE2 F:PHE549 4.9 11.3 1.0 HA F:CYS539 5.0 12.6 1.0 HA F:CYS509 5.0 12.1 1.0 HA F:CYS506 5.0 9.4 1.0 CZ F:PHE549 5.0 9.7 1.0

Zinc binding site 7 out of 8 in the uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin within 5.0Å range: probe atom residue distance (Å) B Occ G:Zn907 b:10.2 occ:1.00 SG G:CYS609 2.3 11.1 1.0 SG G:CYS642 2.3 10.6 1.0 SG G:CYS606 2.4 9.3 1.0 SG G:CYS639 2.4 10.2 1.0 HB3 G:CYS642 3.1 13.2 1.0 H G:CYS642 3.1 13.3 1.0 CB G:CYS639 3.2 9.6 1.0 HB3 G:CYS639 3.2 11.5 1.0 HB3 G:CYS609 3.2 11.4 1.0 HB2 G:CYS639 3.2 11.5 1.0 CB G:CYS642 3.3 11.0 1.0 CB G:CYS606 3.3 8.8 1.0 HB3 G:CYS606 3.3 10.6 1.0 HB2 G:CYS606 3.4 10.6 1.0 CB G:CYS609 3.4 9.5 1.0 H G:CYS609 3.4 10.3 1.0 HG11 G:VAL644 3.6 17.8 1.0 HB G:VAL608 3.6 10.8 1.0 HB3 G:TYR611 3.6 11.1 1.0 N G:CYS642 3.7 11.1 1.0 N G:CYS609 3.8 8.6 1.0 HB2 G:LEU641 3.9 17.3 1.0 H G:TYR611 4.0 10.8 1.0 CA G:CYS642 4.1 10.8 1.0 HB2 G:CYS642 4.1 13.2 1.0 CA G:CYS609 4.1 9.1 1.0 HB2 G:TYR611 4.1 11.1 1.0 HB2 G:CYS609 4.2 11.4 1.0 HG12 G:VAL644 4.3 17.8 1.0 CB G:TYR611 4.3 9.3 1.0 CG1 G:VAL644 4.3 11.8 1.0 H G:VAL644 4.4 12.2 1.0 H G:GLY643 4.4 13.8 1.0 H G:LEU641 4.5 14.3 1.0 CB G:VAL608 4.5 9.0 1.0 HZ G:PHE649 4.5 10.1 1.0 H G:VAL608 4.6 10.3 1.0 H G:GLY610 4.6 10.2 1.0 CA G:CYS639 4.6 9.8 1.0 HG11 G:VAL608 4.7 15.4 1.0 C G:VAL608 4.7 8.8 1.0 C G:CYS609 4.7 8.7 1.0 CA G:CYS606 4.7 7.4 1.0 C G:LEU641 4.8 13.7 1.0 C G:CYS642 4.8 10.8 1.0 N G:TYR611 4.8 9.0 1.0 CB G:LEU641 4.8 14.4 1.0 N G:GLY643 4.9 11.5 1.0 N G:GLY610 4.9 8.5 1.0 HA G:CYS642 4.9 13.0 1.0 HE1 G:PHE649 4.9 10.8 1.0 HA G:CYS609 4.9 10.9 1.0 HG13 G:VAL644 4.9 17.8 1.0 HA G:CYS639 4.9 11.7 1.0 O G:HOH955 5.0 28.7 1.0 HB G:VAL644 5.0 13.9 1.0 CZ G:PHE649 5.0 8.4 1.0 HG12 G:VAL608 5.0 15.4 1.0 CG1 G:VAL608 5.0 10.3 1.0

Zinc binding site 8 out of 8 in the uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn908 b:9.2 occ:1.00 SG H:CYS742 2.3 9.7 1.0 SG H:CYS709 2.3 9.8 1.0 SG H:CYS706 2.3 8.5 1.0 SG H:CYS739 2.4 9.0 1.0 HB3 H:CYS742 3.1 12.8 1.0 H H:CYS742 3.2 12.9 1.0 CB H:CYS739 3.2 8.5 1.0 HB3 H:CYS739 3.2 10.2 1.0 HB3 H:CYS709 3.2 10.7 1.0 CB H:CYS706 3.2 8.0 1.0 HB3 H:CYS706 3.2 9.6 1.0 CB H:CYS742 3.3 10.6 1.0 HB2 H:CYS739 3.3 10.2 1.0 HB2 H:CYS706 3.3 9.6 1.0 CB H:CYS709 3.4 8.9 1.0 HG23 H:VAL744 3.4 16.1 0.6 H H:CYS709 3.4 10.0 1.0 HB3 H:TYR711 3.5 9.5 1.0 HB H:VAL708 3.5 11.3 1.0 HG11 H:VAL744 3.6 13.0 0.4 N H:CYS742 3.7 10.8 1.0 N H:CYS709 3.9 8.3 1.0 HB2 H:LEU741 3.9 14.4 1.0 CA H:CYS742 4.0 9.6 1.0 H H:TYR711 4.0 9.6 1.0 HB2 H:CYS742 4.1 12.8 1.0 CA H:CYS709 4.1 8.4 1.0 HG12 H:VAL744 4.1 13.0 0.4 HB2 H:CYS709 4.2 10.7 1.0 HB2 H:TYR711 4.2 9.5 1.0 CG2 H:VAL744 4.2 10.8 0.6 CB H:TYR711 4.3 7.9 1.0 CG1 H:VAL744 4.3 8.7 0.4 H H:VAL744 4.3 11.2 1.0 HG21 H:VAL744 4.4 16.1 0.6 H H:GLY743 4.4 12.3 1.0 H H:LEU741 4.4 12.9 1.0 CB H:VAL708 4.5 9.4 1.0 H H:VAL708 4.5 10.1 1.0 HG22 H:VAL744 4.6 16.1 0.6 H H:GLY710 4.6 9.8 1.0 HZ H:PHE749 4.6 10.4 1.0 HG13 H:VAL708 4.6 15.3 1.0 CA H:CYS739 4.6 9.5 1.0 CA H:CYS706 4.7 7.1 1.0 C H:VAL708 4.7 8.3 1.0 C H:LEU741 4.7 12.2 1.0 C H:CYS742 4.7 9.7 1.0 C H:CYS709 4.7 8.3 1.0 HB H:VAL744 4.8 12.1 0.4 N H:TYR711 4.8 8.0 1.0 N H:GLY743 4.8 10.3 1.0 CB H:LEU741 4.8 12.0 1.0 HA H:CYS742 4.9 11.5 1.0 N H:GLY710 4.9 8.1 1.0 HA H:CYS739 5.0 11.4 1.0 HG13 H:VAL744 5.0 13.0 0.4 HA H:CYS709 5.0 10.0 1.0 CG1 H:VAL708 5.0 10.2 1.0 HG11 H:VAL708 5.0 15.3 1.0 HA H:CYS706 5.0 8.5 1.0 O H:HOH1000 5.0 29.9 1.0 HG13 H:VAL744 5.0 18.6 0.6 HE1 H:PHE749 5.0 10.2 1.0

D.M.Lemaster, J.S.Anderson, L.Wang, Y.Guo, H.Li, G.Hernandez. uc(Nmr) and X-Ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin Bmc Struct.Biol. V. 7 81 2007.
ISSN: ESSN 1472-6807
PubMed: 18053245
DOI: 10.1186/1472-6807-7-81