Magnesium in PDB 6vzq: Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog

The structure of Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog, PDB code: 6vzq was solved by K.K.Mahalingan, E.K.Keenen, E.K.Strickland, Y.Li, Y.Liu, H.L.Ball, M.E.Tanner, N.Tjandra, A.Roll-Mecak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.16 / 3.08
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.038, 109.491, 171.700, 90.00, 90.01, 90.00
R / Rfree (%)	22.6 / 25.9

The binding sites of Magnesium atom in the Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog (pdb code 6vzq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog, PDB code: 6vzq:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in the Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:43.7 occ:1.00 OD2 A:ASP346 2.2 88.5 1.0 O1B A:ADP601 2.3 78.1 1.0 O1A A:ADP601 2.3 50.2 1.0 O13 A:RZY602 2.6 58.0 1.0 O15 A:RZY602 2.7 56.2 1.0 P12 A:RZY602 2.9 68.1 1.0 O14 A:RZY602 3.1 85.4 1.0 OE1 A:GLU359 3.2 60.0 1.0 PB A:ADP601 3.3 52.8 1.0 CG A:ASP346 3.3 81.0 1.0 O3B A:ADP601 3.5 58.7 1.0 ND2 A:ASN264 3.5 87.3 1.0 MG A:MG604 3.6 52.9 1.0 PA A:ADP601 3.6 74.4 1.0 NH2 A:ARG241 3.6 64.0 1.0 O3A A:ADP601 3.8 48.0 1.0 C5' A:ADP601 4.0 55.6 1.0 OD1 A:ASP346 4.0 79.6 1.0 NH1 A:ARG241 4.1 86.6 1.0 OD1 A:ASN264 4.1 76.5 1.0 CG A:ASN264 4.2 73.0 1.0 O5' A:ADP601 4.2 71.1 1.0 ND2 A:ASN361 4.3 75.7 1.0 CZ A:ARG241 4.3 75.2 1.0 CD A:GLU359 4.4 75.9 1.0 CB A:ASP346 4.4 76.8 1.0 NH2 A:ARG219 4.4 65.0 1.0 OD1 A:ASN361 4.5 85.7 1.0 O11 A:RZY602 4.5 46.7 1.0 O2B A:ADP601 4.7 67.5 1.0 CG A:ASN361 4.8 69.1 1.0 O2A A:ADP601 4.9 89.8 1.0 OE2 A:GLU359 5.0 88.6 1.0 O10 A:RZY602 5.0 85.2 1.0

Magnesium binding site 2 out of 8 in the Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg604 b:52.9 occ:1.00 O14 A:RZY602 1.9 85.4 1.0 O3B A:ADP601 2.0 58.7 1.0 OE2 A:GLU359 2.1 88.6 1.0 OD1 A:ASN361 2.1 85.7 1.0 OE1 A:GLU359 2.3 60.0 1.0 CD A:GLU359 2.5 75.9 1.0 P12 A:RZY602 3.1 68.1 1.0 PB A:ADP601 3.1 52.8 1.0 O13 A:RZY602 3.2 58.0 1.0 CG A:ASN361 3.2 69.1 1.0 O1B A:ADP601 3.4 78.1 1.0 MG A:MG603 3.6 43.7 1.0 ND2 A:ASN361 3.7 75.7 1.0 NZ A:LYS125 3.7 68.8 1.0 O2B A:ADP601 3.9 67.5 1.0 CG A:GLU359 3.9 81.9 1.0 O1A A:ADP601 4.0 50.2 1.0 O11 A:RZY602 4.1 46.7 1.0 CA A:ALA179 4.1 78.0 1.0 O A:GLY178 4.2 72.9 1.0 O15 A:RZY602 4.2 56.2 1.0 CB A:ALA179 4.3 64.1 1.0 O3A A:ADP601 4.4 48.0 1.0 OD2 A:ASP346 4.4 88.5 1.0 C21 A:RZY602 4.4 54.7 1.0 CB A:ASN361 4.5 73.1 1.0 N A:ARG180 4.7 70.0 1.0 CB A:GLU359 4.8 66.8 1.0 PA A:ADP601 4.8 74.4 1.0 CE A:LYS125 4.8 56.9 1.0 C A:GLY178 4.9 78.6 1.0 N A:ALA179 4.9 83.8 1.0 C A:ALA179 4.9 73.0 1.0

Magnesium binding site 3 out of 8 in the Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg605 b:23.2 occ:1.00 O2A B:ADP601 2.1 73.0 1.0 O3B B:ADP601 2.2 26.5 1.0 OD2 B:ASP346 2.4 37.4 1.0 O25 B:RZP604 2.4 17.1 1.0 ND2 B:ASN264 3.2 33.9 1.0 PA B:ADP601 3.3 30.2 1.0 C5' B:ADP601 3.3 30.1 1.0 CG B:ASP346 3.4 52.4 1.0 NH2 B:ARG241 3.4 35.4 1.0 PB B:ADP601 3.5 45.6 1.0 OE1 B:GLU359 3.6 22.7 1.0 P24 B:RZP604 3.7 0.0 1.0 O3A B:ADP601 3.7 31.5 1.0 O5' B:ADP601 3.7 80.1 1.0 O3' B:ADP601 3.9 29.8 1.0 NH1 B:ARG241 4.0 44.0 1.0 O27 B:RZP604 4.0 53.3 1.0 OD1 B:ASP346 4.0 32.1 1.0 C3' B:ADP601 4.1 14.1 1.0 CZ B:ARG241 4.1 42.5 1.0 C4' B:ADP601 4.2 10.4 1.0 O2B B:ADP601 4.2 8.2 1.0 CG B:ASN264 4.2 15.3 1.0 O26 B:RZP604 4.3 24.8 1.0 CB B:ASP346 4.3 49.2 1.0 MG B:MG606 4.5 26.5 1.0 OD1 B:ASN264 4.5 34.1 1.0 OD2 B:ASP217 4.5 96.2 1.0 O1B B:ADP601 4.6 29.0 1.0 O1A B:ADP601 4.7 19.8 1.0 NH2 B:ARG219 4.7 22.2 1.0 CD B:GLU359 4.7 61.1 1.0 O7 B:RZP604 4.8 99.8 1.0

Magnesium binding site 4 out of 8 in the Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg606 b:26.5 occ:1.00 O26 B:RZP604 2.2 24.8 1.0 OE2 B:GLU359 2.2 69.1 1.0 OD1 B:ASN361 2.2 45.9 1.0 O12 B:RZP604 2.6 70.6 1.0 CD B:GLU359 2.9 61.1 1.0 O1B B:ADP601 2.9 29.0 1.0 OE1 B:GLU359 2.9 22.7 1.0 O3B B:ADP601 3.0 26.5 1.0 P24 B:RZP604 3.4 0.0 1.0 PB B:ADP601 3.4 45.6 1.0 O25 B:RZP604 3.4 17.1 1.0 CG B:ASN361 3.4 32.0 1.0 C11 B:RZP604 3.7 44.4 1.0 CA B:ALA179 3.8 7.5 1.0 NZ B:LYS125 3.8 47.9 1.0 CB B:ALA179 3.9 15.9 1.0 C9 B:RZP604 4.0 20.8 1.0 O B:GLY178 4.0 72.4 1.0 O B:HOH701 4.1 58.5 1.0 ND2 B:ASN361 4.1 35.5 1.0 O7 B:RZP604 4.2 99.8 1.0 CG B:GLU359 4.3 43.0 1.0 C10 B:RZP604 4.3 23.2 1.0 O2B B:ADP601 4.4 8.2 1.0 N B:ARG180 4.5 4.0 1.0 MG B:MG605 4.5 23.2 1.0 O27 B:RZP604 4.5 53.3 1.0 O2A B:ADP601 4.5 73.0 1.0 CB B:ASN361 4.6 29.2 1.0 C B:ALA179 4.7 14.0 1.0 O3A B:ADP601 4.7 31.5 1.0 O13 B:RZP604 4.7 57.5 1.0 N B:ALA179 4.7 17.1 1.0 OD2 B:ASP346 4.8 37.4 1.0 C B:GLY178 4.8 24.7 1.0 C5 B:RZP604 4.8 20.5 1.0 CE B:LYS125 5.0 29.4 1.0

Magnesium binding site 5 out of 8 in the Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg603 b:88.6 occ:1.00 O25 C:RZP602 2.0 61.2 1.0 O3B C:ADP601 2.2 73.5 1.0 CA C:ALA179 2.8 57.3 1.0 PB C:ADP601 2.9 67.6 1.0 OE2 C:GLU359 2.9 82.0 1.0 CB C:ALA179 3.1 53.5 1.0 O2B C:ADP601 3.1 48.4 1.0 OD1 C:ASN361 3.3 68.5 1.0 O12 C:RZP602 3.3 89.1 1.0 O1B C:ADP601 3.4 72.6 1.0 O C:GLY178 3.4 66.6 1.0 P24 C:RZP602 3.5 61.5 1.0 N C:ARG180 3.5 57.7 1.0 NZ C:LYS125 3.6 62.2 1.0 CD C:GLU359 3.6 72.4 1.0 C C:ALA179 3.7 65.8 1.0 OE1 C:GLU359 3.7 53.2 1.0 N C:ALA179 3.8 63.6 1.0 C9 C:RZP602 3.9 61.0 1.0 C C:GLY178 4.0 63.8 1.0 O26 C:RZP602 4.0 63.3 1.0 C11 C:RZP602 4.2 89.6 1.0 O27 C:RZP602 4.3 53.1 1.0 O3A C:ADP601 4.4 60.1 1.0 C10 C:RZP602 4.4 75.1 1.0 O7 C:RZP602 4.5 64.3 1.0 CG C:ASN361 4.5 63.8 1.0 MG C:MG604 4.6 35.8 1.0 O1A C:ADP601 4.7 55.3 1.0 C5 C:RZP602 4.7 61.1 1.0 CE C:LYS125 4.7 60.5 1.0 O C:ALA179 4.8 73.1 1.0 CA C:ARG180 4.8 55.4 1.0 CG C:GLU359 4.9 76.7 1.0

Magnesium binding site 6 out of 8 in the Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg604 b:35.8 occ:1.00 O1A C:ADP601 2.1 55.3 1.0 O27 C:RZP602 2.2 53.1 1.0 O1B C:ADP601 2.4 72.6 1.0 OD2 C:ASP346 2.5 99.2 1.0 PA C:ADP601 3.2 74.6 1.0 PB C:ADP601 3.3 67.6 1.0 ND2 C:ASN264 3.3 80.1 1.0 C5' C:ADP601 3.3 57.5 1.0 P24 C:RZP602 3.4 61.5 1.0 NH2 C:ARG241 3.4 58.8 1.0 O3A C:ADP601 3.5 60.1 1.0 OE1 C:GLU359 3.5 53.2 1.0 O3B C:ADP601 3.5 73.5 1.0 O25 C:RZP602 3.6 61.2 1.0 CG C:ASP346 3.6 93.9 1.0 O5' C:ADP601 3.6 73.6 1.0 NH1 C:ARG241 4.0 62.1 1.0 O26 C:RZP602 4.1 63.3 1.0 CZ C:ARG241 4.1 61.2 1.0 CG C:ASN264 4.3 70.5 1.0 C3' C:ADP601 4.4 53.7 1.0 C4' C:ADP601 4.4 61.6 1.0 OD1 C:ASP346 4.4 98.4 1.0 O3' C:ADP601 4.4 70.2 1.0 CB C:ASP346 4.4 85.7 1.0 OD1 C:ASN264 4.5 94.2 1.0 O2A C:ADP601 4.6 66.4 1.0 CD C:GLU359 4.6 72.4 1.0 O7 C:RZP602 4.6 64.3 1.0 MG C:MG603 4.6 88.6 1.0 O2B C:ADP601 4.7 48.4 1.0 NH2 C:ARG219 4.7 55.4 1.0 OD2 C:ASP217 4.9 91.8 1.0 ND2 C:ASN361 5.0 77.0 1.0

Magnesium binding site 7 out of 8 in the Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg603 b:20.2 occ:1.00 O27 D:RZP602 2.0 12.3 1.0 OE1 D:GLU359 2.2 14.7 1.0 O3B D:ADP601 2.2 15.8 1.0 O D:HOH701 2.3 12.9 1.0 O2A D:ADP601 2.3 34.4 1.0 OD2 D:ASP346 2.5 50.7 1.0 O26 D:RZP602 2.6 23.3 1.0 P24 D:RZP602 2.8 34.8 1.0 O1B D:ADP601 2.9 4.2 1.0 MG D:MG604 2.9 13.6 1.0 PB D:ADP601 3.0 37.3 1.0 CD D:GLU359 3.2 40.5 1.0 ND2 D:ASN361 3.5 43.2 1.0 PA D:ADP601 3.5 21.2 1.0 O3A D:ADP601 3.6 23.7 1.0 CG D:ASP346 3.7 57.5 1.0 OE2 D:GLU359 3.7 53.0 1.0 OD1 D:ASN361 3.7 60.3 1.0 O25 D:RZP602 3.8 38.8 1.0 O7 D:RZP602 4.0 69.1 1.0 CG D:ASN361 4.0 35.4 1.0 ND2 D:ASN264 4.2 34.0 1.0 OD1 D:ASP346 4.3 48.6 1.0 NH2 D:ARG219 4.3 28.8 1.0 O2B D:ADP601 4.4 43.8 1.0 CG D:GLU359 4.5 39.8 1.0 O1A D:ADP601 4.5 18.0 1.0 CB D:GLU359 4.5 17.1 1.0 NZ D:LYS125 4.6 30.4 1.0 O5' D:ADP601 4.6 8.3 1.0 NH2 D:ARG241 4.6 31.6 1.0 C5' D:ADP601 4.6 26.5 1.0 CB D:ASP346 4.8 41.4 1.0 NH1 D:ARG241 4.8 46.6 1.0

Magnesium binding site 8 out of 8 in the Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg604 b:13.6 occ:1.00 OE2 D:GLU359 1.8 53.0 1.0 O26 D:RZP602 1.9 23.3 1.0 ND2 D:ASN361 2.2 43.2 1.0 O1B D:ADP601 2.4 4.2 1.0 CD D:GLU359 2.5 40.5 1.0 OE1 D:GLU359 2.7 14.7 1.0 MG D:MG603 2.9 20.2 1.0 O12 D:RZP602 3.1 79.7 1.0 O D:HOH702 3.2 57.4 1.0 P24 D:RZP602 3.4 34.8 1.0 CG D:ASN361 3.4 35.4 1.0 PB D:ADP601 3.5 37.3 1.0 O3B D:ADP601 3.7 15.8 1.0 O27 D:RZP602 3.9 12.3 1.0 CA D:ALA179 3.9 19.8 1.0 O D:GLY178 4.0 67.2 1.0 CG D:GLU359 4.0 39.8 1.0 OD1 D:ASN361 4.0 60.3 1.0 CB D:ALA179 4.0 16.2 1.0 C9 D:RZP602 4.1 27.1 1.0 C11 D:RZP602 4.1 61.8 1.0 O25 D:RZP602 4.3 38.8 1.0 NZ D:LYS125 4.3 30.4 1.0 O7 D:RZP602 4.3 69.1 1.0 O2B D:ADP601 4.5 43.8 1.0 CE D:LYS125 4.5 47.9 1.0 C10 D:RZP602 4.5 26.2 1.0 CB D:ASN361 4.5 35.2 1.0 O2A D:ADP601 4.6 34.4 1.0 N D:ARG180 4.7 11.0 1.0 O3A D:ADP601 4.7 23.7 1.0 C D:GLY178 4.8 38.1 1.0 N D:ALA179 4.8 23.4 1.0 C D:ALA179 4.9 12.8 1.0 OD2 D:ASP346 4.9 50.7 1.0 C5 D:RZP602 4.9 12.8 1.0 CA D:ASN361 4.9 35.6 1.0 CB D:GLU359 5.0 17.1 1.0

K.K.Mahalingan, E.K.Keenen, M.Strickland, Y.Li, Y.Liu, H.L.Ball, M.E.Tanner, N.Tjandra, A.Roll-Mecak. Engineered TTLL6 Mutant Bound to Alpha-Elongation Analog To Be Published.