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Fluorine in PDB 6lyy: Cryo-Em Structure of the Human MCT1/Basigin-2 Complex in the Presence of Anti-Cancer Drug Candidate AZD3965 in the Outward-Open Conformation.

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Cryo-Em Structure of the Human MCT1/Basigin-2 Complex in the Presence of Anti-Cancer Drug Candidate AZD3965 in the Outward-Open Conformation. (pdb code 6lyy). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Cryo-Em Structure of the Human MCT1/Basigin-2 Complex in the Presence of Anti-Cancer Drug Candidate AZD3965 in the Outward-Open Conformation., PDB code: 6lyy:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 6lyy

Go back to Fluorine Binding Sites List in 6lyy
Fluorine binding site 1 out of 3 in the Cryo-Em Structure of the Human MCT1/Basigin-2 Complex in the Presence of Anti-Cancer Drug Candidate AZD3965 in the Outward-Open Conformation.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em Structure of the Human MCT1/Basigin-2 Complex in the Presence of Anti-Cancer Drug Candidate AZD3965 in the Outward-Open Conformation. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:91.0
occ:1.00
F23 A:EY0601 0.0 91.0 1.0
C22 A:EY0601 1.4 91.0 1.0
F24 A:EY0601 2.2 91.0 1.0
F25 A:EY0601 2.2 91.0 1.0
C21 A:EY0601 2.4 91.0 1.0
N20 A:EY0601 2.8 91.0 1.0
CD A:LYS38 3.3 90.5 1.0
CG A:LYS38 3.4 90.5 1.0
CB A:LYS38 3.4 90.5 1.0
C17 A:EY0601 3.7 91.0 1.0
CE A:LYS38 4.1 90.5 1.0
N19 A:EY0601 4.1 91.0 1.0
CD2 A:LEU281 4.2 91.4 1.0
C16 A:EY0601 4.5 91.0 1.0
CA A:LYS38 4.5 90.5 1.0
C18 A:EY0601 4.5 91.0 1.0
CG2 A:VAL282 4.7 91.2 1.0
O A:LEU281 4.9 91.4 1.0
CB A:VAL282 5.0 91.2 1.0

Fluorine binding site 2 out of 3 in 6lyy

Go back to Fluorine Binding Sites List in 6lyy
Fluorine binding site 2 out of 3 in the Cryo-Em Structure of the Human MCT1/Basigin-2 Complex in the Presence of Anti-Cancer Drug Candidate AZD3965 in the Outward-Open Conformation.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em Structure of the Human MCT1/Basigin-2 Complex in the Presence of Anti-Cancer Drug Candidate AZD3965 in the Outward-Open Conformation. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:91.0
occ:1.00
F24 A:EY0601 0.0 91.0 1.0
C22 A:EY0601 1.4 91.0 1.0
F25 A:EY0601 2.2 91.0 1.0
F23 A:EY0601 2.2 91.0 1.0
CD2 A:LEU281 2.3 91.4 1.0
C21 A:EY0601 2.4 91.0 1.0
N20 A:EY0601 3.2 91.0 1.0
C17 A:EY0601 3.3 91.0 1.0
CG A:LEU281 3.7 91.4 1.0
C16 A:EY0601 3.8 91.0 1.0
O A:LEU281 4.0 91.4 1.0
N19 A:EY0601 4.3 91.0 1.0
CB A:LEU281 4.3 91.4 1.0
C A:LEU281 4.3 91.4 1.0
C18 A:EY0601 4.4 91.0 1.0
CD1 A:LEU281 4.5 91.4 1.0
CZ A:PHE278 4.6 92.7 1.0
C8 A:EY0601 4.6 91.0 1.0
CB A:VAL282 4.6 91.2 1.0
N A:VAL282 4.7 91.2 1.0
CA A:VAL282 4.8 91.2 1.0
S7 A:EY0601 4.8 91.0 1.0
CE1 A:PHE278 4.8 92.7 1.0
CE2 A:PHE278 5.0 92.7 1.0
CG2 A:VAL282 5.0 91.2 1.0

Fluorine binding site 3 out of 3 in 6lyy

Go back to Fluorine Binding Sites List in 6lyy
Fluorine binding site 3 out of 3 in the Cryo-Em Structure of the Human MCT1/Basigin-2 Complex in the Presence of Anti-Cancer Drug Candidate AZD3965 in the Outward-Open Conformation.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryo-Em Structure of the Human MCT1/Basigin-2 Complex in the Presence of Anti-Cancer Drug Candidate AZD3965 in the Outward-Open Conformation. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:91.0
occ:1.00
F25 A:EY0601 0.0 91.0 1.0
C22 A:EY0601 1.4 91.0 1.0
F24 A:EY0601 2.2 91.0 1.0
F23 A:EY0601 2.2 91.0 1.0
C21 A:EY0601 2.4 91.0 1.0
C17 A:EY0601 2.9 91.0 1.0
C16 A:EY0601 2.9 91.0 1.0
CD2 A:LEU281 3.4 91.4 1.0
N20 A:EY0601 3.6 91.0 1.0
CG A:LYS38 3.8 90.5 1.0
CB A:LYS38 3.9 90.5 1.0
C18 A:EY0601 4.2 91.0 1.0
C8 A:EY0601 4.3 91.0 1.0
CD1 A:LEU158 4.3 89.0 1.0
CD2 A:LEU158 4.4 89.0 1.0
N19 A:EY0601 4.5 91.0 1.0
CD A:LYS38 4.5 90.5 1.0
C32 A:EY0601 4.6 91.0 1.0
C35 A:EY0601 4.7 91.0 1.0
CG A:LEU281 4.8 91.4 1.0

Reference:

N.Wang, X.Jiang, S.Zhang, A.Zhu, Y.Yuan, J.Lei, C.Yan. Structural Basis of Human Monocarboxylate Transporter 1 Inhibition By Anti-Cancer Drug Candidates To Be Published.
Page generated: Tue Jul 15 13:02:45 2025

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