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Fluorine in PDB 5j3j: Crystal Structure of Human Dpp-IV in Complex with HL1

Enzymatic activity of Crystal Structure of Human Dpp-IV in Complex with HL1

All present enzymatic activity of Crystal Structure of Human Dpp-IV in Complex with HL1:
3.4.14.5;

Protein crystallography data

The structure of Crystal Structure of Human Dpp-IV in Complex with HL1, PDB code: 5j3j was solved by F.Wu, H.Li, Z.Zhao, L.Zhu, H.Xu, S.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.11 / 2.75
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 65.360, 126.820, 112.620, 90.00, 99.95, 90.00
R / Rfree (%) 23.5 / 29.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Dpp-IV in Complex with HL1 (pdb code 5j3j). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Human Dpp-IV in Complex with HL1, PDB code: 5j3j:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5j3j

Go back to Fluorine Binding Sites List in 5j3j
Fluorine binding site 1 out of 6 in the Crystal Structure of Human Dpp-IV in Complex with HL1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Dpp-IV in Complex with HL1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:25.7
occ:1.00
F7 A:HL1801 0.0 25.7 1.0
C1 A:HL1801 1.3 25.6 1.0
C6 A:HL1801 2.4 25.6 1.0
C2 A:HL1801 2.4 25.2 1.0
C10 A:HL1801 2.8 24.5 1.0
ND2 A:ASN710 2.9 19.8 1.0
NH2 A:ARG125 3.3 20.2 1.0
OE2 A:GLU205 3.3 19.2 1.0
OH A:TYR662 3.3 20.6 1.0
N16 A:HL1801 3.3 23.9 1.0
C5 A:HL1801 3.6 25.9 1.0
CG A:ASN710 3.6 19.8 1.0
C3 A:HL1801 3.6 25.6 1.0
C15 A:HL1801 3.7 24.0 1.0
NE2 A:HIS740 3.7 26.6 1.0
CD2 A:HIS740 3.8 26.3 1.0
OD1 A:ASN710 3.9 20.0 1.0
O11 A:HL1801 4.0 24.4 1.0
C4 A:HL1801 4.1 25.9 1.0
OG A:SER630 4.2 23.2 1.0
CD A:GLU205 4.4 19.4 1.0
CZ A:TYR662 4.5 20.7 1.0
CZ A:ARG125 4.6 20.2 1.0
CE1 A:HIS740 4.6 26.5 1.0
C14 A:HL1801 4.7 23.9 1.0
F8 A:HL1801 4.7 26.9 1.0
CG A:HIS740 4.8 26.0 1.0
CB A:ASN710 4.8 19.7 1.0

Fluorine binding site 2 out of 6 in 5j3j

Go back to Fluorine Binding Sites List in 5j3j
Fluorine binding site 2 out of 6 in the Crystal Structure of Human Dpp-IV in Complex with HL1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Dpp-IV in Complex with HL1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:26.9
occ:1.00
F8 A:HL1801 0.0 26.9 1.0
C5 A:HL1801 1.3 25.9 1.0
C6 A:HL1801 2.4 25.6 1.0
C4 A:HL1801 2.4 25.9 1.0
F9 A:HL1801 2.8 25.1 1.0
CG2 A:VAL711 3.1 19.3 1.0
CG2 A:VAL656 3.2 17.7 1.0
OG A:SER630 3.3 23.2 1.0
C3 A:HL1801 3.6 25.6 1.0
C1 A:HL1801 3.6 25.6 1.0
N A:TYR631 3.7 21.3 1.0
C A:SER630 3.8 22.3 1.0
C2 A:HL1801 4.1 25.2 1.0
CA A:SER630 4.1 22.6 1.0
CE1 A:TYR662 4.2 20.6 1.0
CB A:SER630 4.2 22.9 1.0
CZ A:TYR662 4.3 20.7 1.0
O A:SER630 4.3 23.0 1.0
CB A:VAL656 4.3 17.9 1.0
CA A:TYR631 4.4 20.6 1.0
CE1 A:HIS740 4.4 26.5 1.0
OH A:TYR662 4.4 20.6 1.0
NE2 A:HIS740 4.5 26.6 1.0
CB A:VAL711 4.5 19.2 1.0
CD1 A:TYR662 4.6 20.4 1.0
F7 A:HL1801 4.7 25.7 1.0
N A:VAL656 4.8 17.6 1.0
CB A:TYR631 4.8 20.5 1.0
O A:ALA654 4.8 18.4 1.0
CE2 A:TYR662 4.9 20.4 1.0
CG1 A:VAL711 4.9 19.3 1.0

Fluorine binding site 3 out of 6 in 5j3j

Go back to Fluorine Binding Sites List in 5j3j
Fluorine binding site 3 out of 6 in the Crystal Structure of Human Dpp-IV in Complex with HL1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human Dpp-IV in Complex with HL1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:25.1
occ:1.00
F9 A:HL1801 0.0 25.1 1.0
C4 A:HL1801 1.3 25.9 1.0
C3 A:HL1801 2.4 25.6 1.0
C5 A:HL1801 2.4 25.9 1.0
F8 A:HL1801 2.8 26.9 1.0
CD2 A:TYR631 3.1 19.7 1.0
CB A:TYR631 3.5 20.5 1.0
OH A:TYR666 3.5 15.4 1.0
C2 A:HL1801 3.6 25.2 1.0
C6 A:HL1801 3.6 25.6 1.0
CZ A:TYR666 3.7 15.7 1.0
CG A:TYR631 3.8 19.9 1.0
CE1 A:TYR666 3.8 15.7 1.0
CA A:TYR631 3.9 20.6 1.0
N A:TYR631 4.0 21.3 1.0
C1 A:HL1801 4.1 25.6 1.0
CE2 A:TYR631 4.2 19.4 1.0
CH2 A:TRP659 4.3 18.9 1.0
OG A:SER630 4.4 23.2 1.0
CZ3 A:TRP659 4.5 18.9 1.0
OH A:TYR547 4.5 27.7 1.0
CE2 A:TYR666 4.5 15.7 1.0
CG2 A:VAL656 4.6 17.7 1.0
CD1 A:TYR666 4.6 15.8 1.0
CE2 A:TYR662 4.7 20.4 1.0
CZ A:TYR662 4.8 20.7 1.0
C10 A:HL1801 4.9 24.5 1.0
C A:SER630 4.9 22.3 1.0
O11 A:HL1801 4.9 24.4 1.0
OH A:TYR662 5.0 20.6 1.0

Fluorine binding site 4 out of 6 in 5j3j

Go back to Fluorine Binding Sites List in 5j3j
Fluorine binding site 4 out of 6 in the Crystal Structure of Human Dpp-IV in Complex with HL1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Human Dpp-IV in Complex with HL1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:18.7
occ:1.00
F7 B:HL1801 0.0 18.7 1.0
C1 B:HL1801 1.3 18.6 1.0
C6 B:HL1801 2.4 18.6 1.0
C2 B:HL1801 2.4 18.5 1.0
C10 B:HL1801 2.9 18.3 1.0
ND2 B:ASN710 2.9 17.6 1.0
NH2 B:ARG125 3.1 22.1 1.0
N16 B:HL1801 3.3 18.4 1.0
OE2 B:GLU205 3.3 17.0 1.0
OH B:TYR662 3.5 18.5 1.0
CG B:ASN710 3.6 17.4 1.0
C5 B:HL1801 3.6 18.6 1.0
C3 B:HL1801 3.6 18.4 1.0
C15 B:HL1801 3.7 18.3 1.0
OD1 B:ASN710 3.7 17.6 1.0
O B:HOH902 3.8 32.6 1.0
CD2 B:HIS740 4.0 19.5 1.0
O11 B:HL1801 4.1 18.4 1.0
NE2 B:HIS740 4.1 19.6 1.0
C4 B:HL1801 4.1 18.4 1.0
OG B:SER630 4.3 18.3 1.0
CZ B:ARG125 4.3 22.4 1.0
CD B:GLU205 4.5 17.4 1.0
C14 B:HL1801 4.7 18.5 1.0
CZ B:TYR662 4.7 18.6 1.0
F8 B:HL1801 4.8 18.5 1.0
CB B:ASN710 4.8 17.4 1.0
CG B:HIS740 5.0 19.3 1.0
CE1 B:HIS740 5.0 19.6 1.0

Fluorine binding site 5 out of 6 in 5j3j

Go back to Fluorine Binding Sites List in 5j3j
Fluorine binding site 5 out of 6 in the Crystal Structure of Human Dpp-IV in Complex with HL1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Human Dpp-IV in Complex with HL1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:18.5
occ:1.00
F8 B:HL1801 0.0 18.5 1.0
C5 B:HL1801 1.3 18.6 1.0
C4 B:HL1801 2.4 18.4 1.0
C6 B:HL1801 2.4 18.6 1.0
F9 B:HL1801 2.7 18.4 1.0
CG2 B:VAL711 3.1 18.1 1.0
OG B:SER630 3.1 18.3 1.0
CG2 B:VAL656 3.2 17.1 1.0
C3 B:HL1801 3.6 18.4 1.0
C1 B:HL1801 3.7 18.6 1.0
N B:TYR631 3.9 18.2 1.0
CE1 B:TYR662 4.0 18.4 1.0
CZ B:TYR662 4.1 18.6 1.0
C2 B:HL1801 4.1 18.5 1.0
C B:SER630 4.2 18.1 1.0
CB B:SER630 4.3 18.4 1.0
OH B:TYR662 4.3 18.5 1.0
CA B:SER630 4.3 18.4 1.0
CB B:VAL711 4.4 17.9 1.0
CD1 B:TYR662 4.4 18.5 1.0
CA B:TYR631 4.6 18.2 1.0
CB B:VAL656 4.6 17.1 1.0
CE1 B:HIS740 4.6 19.6 1.0
CE2 B:TYR662 4.7 18.7 1.0
NE2 B:HIS740 4.7 19.6 1.0
CG1 B:VAL711 4.7 17.9 1.0
F7 B:HL1801 4.8 18.7 1.0
O B:SER630 4.8 18.0 1.0
CB B:TYR631 4.9 18.4 1.0
CG B:TYR662 5.0 18.8 1.0

Fluorine binding site 6 out of 6 in 5j3j

Go back to Fluorine Binding Sites List in 5j3j
Fluorine binding site 6 out of 6 in the Crystal Structure of Human Dpp-IV in Complex with HL1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Human Dpp-IV in Complex with HL1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:18.4
occ:1.00
F9 B:HL1801 0.0 18.4 1.0
C4 B:HL1801 1.3 18.4 1.0
C5 B:HL1801 2.4 18.6 1.0
C3 B:HL1801 2.4 18.4 1.0
F8 B:HL1801 2.7 18.5 1.0
CD2 B:TYR631 3.3 18.4 1.0
CE2 B:TYR666 3.5 17.7 1.0
OH B:TYR666 3.6 17.6 1.0
CZ B:TYR666 3.6 17.8 1.0
C6 B:HL1801 3.6 18.6 1.0
C2 B:HL1801 3.6 18.5 1.0
CB B:TYR631 3.7 18.4 1.0
CG B:TYR631 4.0 18.5 1.0
C1 B:HL1801 4.1 18.6 1.0
CH2 B:TRP659 4.1 18.5 1.0
CD2 B:TYR666 4.2 17.7 1.0
CA B:TYR631 4.2 18.2 1.0
N B:TYR631 4.3 18.2 1.0
CE2 B:TYR631 4.3 18.4 1.0
CE2 B:TYR662 4.4 18.7 1.0
OG B:SER630 4.5 18.3 1.0
CG2 B:VAL656 4.5 17.1 1.0
CE1 B:TYR666 4.5 17.9 1.0
CZ3 B:TRP659 4.5 18.6 1.0
CZ B:TYR662 4.5 18.6 1.0
OH B:TYR662 4.7 18.5 1.0
C10 B:HL1801 4.8 18.3 1.0
CD2 B:TYR662 4.9 18.9 1.0
O11 B:HL1801 4.9 18.4 1.0

Reference:

F.Wu, H.Li, Z.Zhao, L.Zhu, H.Xu, S.Li. Crystal Structure of Human Dpp-IV in Complex with HL1 To Be Published.
Page generated: Tue Jul 15 04:17:26 2025

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