Magnesium in PDB 7nba: Plasmodium Falciparum Kinesin-5 Motor Domain Bound to Amppnp, Complexed with 14 Protofilament Microtubule.

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Plasmodium Falciparum Kinesin-5 Motor Domain Bound to Amppnp, Complexed with 14 Protofilament Microtubule. (pdb code 7nba). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Plasmodium Falciparum Kinesin-5 Motor Domain Bound to Amppnp, Complexed with 14 Protofilament Microtubule., PDB code: 7nba:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 7nba

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Magnesium binding site 1 out of 3 in the Plasmodium Falciparum Kinesin-5 Motor Domain Bound to Amppnp, Complexed with 14 Protofilament Microtubule.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Plasmodium Falciparum Kinesin-5 Motor Domain Bound to Amppnp, Complexed with 14 Protofilament Microtubule. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:14.7
occ:1.00
O1B A:GTP500 1.9 20.0 1.0
OE2 A:GLU71 2.0 69.6 1.0
O1G A:GTP500 2.2 20.0 1.0
CD A:GLU71 2.4 69.6 1.0
OE1 A:GLU71 2.5 69.6 1.0
HB2 A:GLN11 3.0 69.6 1.0
PB A:GTP500 3.1 20.0 1.0
PG A:GTP500 3.3 20.0 1.0
H A:GLN11 3.3 69.6 1.0
HG3 A:GLU71 3.5 69.6 1.0
CG A:GLU71 3.5 69.6 1.0
O3B A:GTP500 3.6 20.0 1.0
O2G A:GTP500 3.7 20.0 1.0
O3A A:GTP500 3.7 20.0 1.0
HB3 A:GLN11 3.8 69.6 1.0
HG21 A:VAL74 3.9 69.6 1.0
CB A:GLN11 3.9 69.6 1.0
OD2 A:ASP69 4.0 69.6 1.0
HB2 A:GLU71 4.1 69.6 1.0
HZ2 B:LYS252 4.1 69.6 1.0
HB2 B:ASN247 4.2 69.6 1.0
N A:GLN11 4.2 69.6 1.0
HG2 A:GLU71 4.3 69.6 1.0
HG23 A:VAL74 4.3 69.6 1.0
O2B A:GTP500 4.4 20.0 1.0
O1A A:GTP500 4.4 20.0 1.0
CB A:GLU71 4.4 69.6 1.0
HG1 A:THR145 4.4 69.6 1.0
OD1 A:ASP69 4.5 69.6 1.0
OE1 A:GLN11 4.5 69.6 1.0
CG2 A:VAL74 4.5 69.6 1.0
PA A:GTP500 4.6 20.0 1.0
O3G A:GTP500 4.6 20.0 1.0
CA A:GLN11 4.6 69.6 1.0
CG A:ASP69 4.7 69.6 1.0
HG22 A:VAL74 4.7 69.6 1.0
HB3 A:GLU71 4.7 69.6 1.0
HD2 B:LYS252 4.8 69.6 1.0
OG1 A:THR145 4.9 69.6 1.0
HA2 A:GLY10 4.9 69.6 1.0
HB2 A:ASP98 4.9 69.6 1.0

Magnesium binding site 2 out of 3 in 7nba

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Magnesium binding site 2 out of 3 in the Plasmodium Falciparum Kinesin-5 Motor Domain Bound to Amppnp, Complexed with 14 Protofilament Microtubule.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Plasmodium Falciparum Kinesin-5 Motor Domain Bound to Amppnp, Complexed with 14 Protofilament Microtubule. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:31.4
occ:1.00
OE2 B:GLU69 1.9 69.6 1.0
OE1 B:GLU69 2.0 69.6 1.0
CD B:GLU69 2.3 69.6 1.0
O2B B:G2P600 2.3 20.0 1.0
OE1 B:GLN11 2.4 69.6 1.0
O2G B:G2P600 2.5 20.0 1.0
CD B:GLN11 3.1 69.6 1.0
HG3 B:GLN11 3.1 69.6 1.0
HB2 B:GLN11 3.3 69.6 1.0
PG B:G2P600 3.5 20.0 1.0
CG B:GLN11 3.5 69.6 1.0
O1G B:G2P600 3.7 20.0 1.0
PB B:G2P600 3.7 20.0 1.0
HG1 B:THR72 3.7 69.6 1.0
CG B:GLU69 3.8 69.6 1.0
O3B B:G2P600 3.9 20.0 1.0
CB B:GLN11 4.0 69.6 1.0
H B:GLN11 4.1 69.6 1.0
NE2 B:GLN11 4.1 69.6 1.0
HG3 B:GLU69 4.1 69.6 1.0
OD2 B:ASP67 4.2 69.6 1.0
HE21 B:GLN11 4.3 69.6 1.0
O2A B:G2P600 4.4 20.0 1.0
HG2 B:GLU69 4.4 69.6 1.0
OG1 B:THR72 4.5 69.6 1.0
HG2 B:GLN11 4.6 69.6 1.0
C3A B:G2P600 4.6 20.0 1.0
HB2 B:GLU69 4.6 69.6 1.0
HB3 B:GLN11 4.7 69.6 1.0
CB B:GLU69 4.8 69.6 1.0
HE22 B:GLN11 4.8 69.6 1.0
N B:GLN11 4.8 69.6 1.0
O1B B:G2P600 4.9 20.0 1.0
HB3 B:GLU69 4.9 69.6 1.0
O3G B:G2P600 4.9 20.0 1.0

Magnesium binding site 3 out of 3 in 7nba

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Magnesium binding site 3 out of 3 in the Plasmodium Falciparum Kinesin-5 Motor Domain Bound to Amppnp, Complexed with 14 Protofilament Microtubule.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Plasmodium Falciparum Kinesin-5 Motor Domain Bound to Amppnp, Complexed with 14 Protofilament Microtubule. within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Mg701

b:19.6
occ:1.00
O3G K:ANP700 1.9 69.6 1.0
OG1 K:THR113 1.9 69.6 1.0
OG K:SER266 2.2 69.6 1.0
O K:LYS264 2.2 69.6 1.0
O2B K:ANP700 2.3 69.6 1.0
HG1 K:THR113 2.5 69.6 1.0
HG K:SER266 2.8 69.6 1.0
CB K:THR113 3.0 69.6 1.0
HB K:THR113 3.1 69.6 1.0
PG K:ANP700 3.3 69.6 1.0
CB K:SER266 3.3 69.6 1.0
HG21 K:THR113 3.3 69.6 1.0
H K:SER266 3.4 69.6 1.0
N K:SER266 3.4 69.6 1.0
HB2 K:SER266 3.4 69.6 1.0
C K:LYS264 3.5 69.6 1.0
PB K:ANP700 3.5 69.6 1.0
CG2 K:THR113 3.7 69.6 1.0
HA K:SER265 3.7 0.0 1.0
C K:SER265 3.8 0.0 1.0
O1G K:ANP700 3.8 69.6 1.0
N3B K:ANP700 3.8 69.6 1.0
CA K:SER266 3.9 69.6 1.0
OD2 K:ASP298 3.9 69.6 1.0
HG23 K:THR113 4.1 69.6 1.0
CA K:SER265 4.1 0.0 1.0
HA K:SER266 4.1 69.6 1.0
HB2 K:LYS264 4.2 69.6 1.0
HB3 K:SER266 4.2 69.6 1.0
N K:SER265 4.2 0.0 1.0
H K:THR113 4.3 69.6 1.0
O1A K:ANP700 4.3 69.6 1.0
HB3 K:LYS264 4.3 69.6 1.0
CA K:THR113 4.3 69.6 1.0
O2G K:ANP700 4.4 69.6 1.0
O K:SER265 4.4 0.0 1.0
O3A K:ANP700 4.5 69.6 1.0
O1B K:ANP700 4.6 69.6 1.0
CB K:LYS264 4.6 69.6 1.0
HG22 K:THR113 4.6 69.6 1.0
HA K:THR113 4.7 69.6 1.0
CA K:LYS264 4.7 69.6 1.0
N K:THR113 4.7 69.6 1.0
PA K:ANP700 4.7 69.6 1.0
HZ2 K:LYS112 4.8 69.6 1.0
CG K:ASP298 4.9 69.6 1.0
OD1 K:ASP298 4.9 69.6 1.0

Reference:

A.D.Cook, A.J.Roberts, J.Atherton, R.Tewari, M.Topf, C.A.Moores. Cryo-Em Structure of A Microtubule-Bound Parasite Kinesin Motor and Implications For Its Mechanism and Inhibition. J.Biol.Chem. 01063 2021.
ISSN: ESSN 1083-351X
PubMed: 34375637
DOI: 10.1016/J.JBC.2021.101063
Page generated: Thu Oct 3 01:21:08 2024

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