Atomistry » Fluorine » PDB 4dbu-4e28 » 4dtc
Atomistry »
  Fluorine »
    PDB 4dbu-4e28 »
      4dtc »

Fluorine in PDB 4dtc: Crystal Structure of Dpp-IV with Compound C5

Enzymatic activity of Crystal Structure of Dpp-IV with Compound C5

All present enzymatic activity of Crystal Structure of Dpp-IV with Compound C5:
3.4.14.5;

Protein crystallography data

The structure of Crystal Structure of Dpp-IV with Compound C5, PDB code: 4dtc was solved by B.Xiong, L.R.Zhu, D.Q.Chen, Y.L.Zhao, F.Jiang, J.K.Shen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.89 / 3.00
Space group P 32
Cell size a, b, c (Å), α, β, γ (°) 80.466, 80.466, 290.901, 90.00, 90.00, 120.00
R / Rfree (%) 20.6 / 26.8

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Dpp-IV with Compound C5 (pdb code 4dtc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Crystal Structure of Dpp-IV with Compound C5, PDB code: 4dtc:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 4dtc

Go back to Fluorine Binding Sites List in 4dtc
Fluorine binding site 1 out of 12 in the Crystal Structure of Dpp-IV with Compound C5


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 Dpp-IV with Compound C5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:0.8
occ:1.00
FBE A:D5C801 0.0 0.8 1.0
CBD A:D5C801 1.4 0.6 1.0
FBG A:D5C801 2.2 0.4 1.0
FBF A:D5C801 2.3 0.7 1.0
CBB A:D5C801 2.3 0.5 1.0
CBA A:D5C801 3.1 0.8 1.0
CBC A:D5C801 3.3 0.5 1.0
OE2 A:GLU361 3.5 0.8 1.0
CD A:GLU361 4.1 0.9 1.0
OE1 A:GLU361 4.3 0.2 1.0
CAZ A:D5C801 4.3 0.5 1.0
CAX A:D5C801 4.5 0.1 1.0
CA A:SER360 4.5 0.4 1.0
N A:GLU361 4.5 0.8 1.0
CAY A:D5C801 4.9 0.3 1.0
CB A:SER360 4.9 0.0 1.0

Fluorine binding site 2 out of 12 in 4dtc

Go back to Fluorine Binding Sites List in 4dtc
Fluorine binding site 2 out of 12 in the Crystal Structure of Dpp-IV with Compound C5


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 Dpp-IV with Compound C5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:0.7
occ:1.00
FBF A:D5C801 0.0 0.7 1.0
CBD A:D5C801 1.4 0.6 1.0
FBG A:D5C801 2.2 0.4 1.0
FBE A:D5C801 2.3 0.8 1.0
CBB A:D5C801 2.3 0.5 1.0
CBC A:D5C801 2.7 0.5 1.0
O A:ARG358 3.6 96.0 1.0
CBA A:D5C801 3.6 0.8 1.0
O A:PRO359 3.7 94.2 1.0
CG A:ARG358 3.7 94.8 1.0
CA A:SER360 3.9 0.4 1.0
CAX A:D5C801 4.1 0.1 1.0
C A:PRO359 4.1 99.2 1.0
C A:ARG358 4.3 98.2 1.0
N A:SER360 4.3 92.6 1.0
NE A:ARG358 4.5 0.7 1.0
CB A:SER360 4.7 0.0 1.0
CAZ A:D5C801 4.7 0.5 1.0
N A:ARG358 4.7 96.6 1.0
CD A:ARG358 4.7 0.7 1.0
CB A:ARG358 4.9 96.5 1.0
CA A:ARG358 4.9 92.4 1.0
C A:SER360 4.9 1.0 1.0
CAY A:D5C801 4.9 0.3 1.0
CAU A:D5C801 4.9 0.0 1.0
N A:GLU361 4.9 0.8 1.0

Fluorine binding site 3 out of 12 in 4dtc

Go back to Fluorine Binding Sites List in 4dtc
Fluorine binding site 3 out of 12 in the Crystal Structure of Dpp-IV with Compound C5


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 Dpp-IV with Compound C5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:0.4
occ:1.00
FBG A:D5C801 0.0 0.4 1.0
CBD A:D5C801 1.3 0.6 1.0
FBF A:D5C801 2.2 0.7 1.0
FBE A:D5C801 2.2 0.8 1.0
CBB A:D5C801 2.3 0.5 1.0
CBA A:D5C801 2.7 0.8 1.0
O A:PRO359 3.3 94.2 1.0
CBC A:D5C801 3.5 0.5 1.0
N A:GLU361 3.6 0.8 1.0
CA A:SER360 3.7 0.4 1.0
NE A:ARG358 3.7 0.7 1.0
CZ A:ARG358 3.7 0.1 1.0
NH2 A:ARG358 3.8 0.2 1.0
C A:SER360 3.9 1.0 1.0
CG A:ARG358 4.0 94.8 1.0
CAZ A:D5C801 4.1 0.5 1.0
C A:PRO359 4.2 99.2 1.0
OE2 A:GLU361 4.3 0.8 1.0
NH1 A:ARG358 4.3 0.5 1.0
CD A:ARG358 4.4 0.7 1.0
CB A:GLU361 4.4 1.0 1.0
N A:SER360 4.4 92.6 1.0
CD A:GLU361 4.5 0.9 1.0
CA A:GLU361 4.5 0.8 1.0
CAX A:D5C801 4.6 0.1 1.0
OE1 A:GLU361 4.7 0.2 1.0
CB A:SER360 4.8 0.0 1.0
O A:SER360 4.8 0.5 1.0
CAY A:D5C801 4.9 0.3 1.0
O A:ARG358 4.9 96.0 1.0

Fluorine binding site 4 out of 12 in 4dtc

Go back to Fluorine Binding Sites List in 4dtc
Fluorine binding site 4 out of 12 in the Crystal Structure of Dpp-IV with Compound C5


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 Dpp-IV with Compound C5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:0.1
occ:1.00
FAG A:D5C801 0.0 0.1 1.0
CAE A:D5C801 1.2 85.4 1.0
CAD A:D5C801 2.2 79.2 1.0
CAF A:D5C801 2.3 92.9 1.0
CAJ A:D5C801 2.7 90.7 1.0
NH2 A:ARG125 3.2 82.0 1.0
ND2 A:ASN710 3.2 61.9 1.0
OE2 A:GLU205 3.3 78.1 1.0
OH A:TYR662 3.4 83.5 1.0
NAM A:D5C801 3.4 77.4 1.0
CAC A:D5C801 3.5 93.4 1.0
CAA A:D5C801 3.5 89.1 1.0
CAK A:D5C801 3.7 80.6 1.0
OG A:SER630 3.8 81.7 1.0
CG A:ASN710 3.9 70.2 1.0
CAB A:D5C801 4.0 90.5 1.0
OD1 A:ASN710 4.0 84.4 1.0
CD2 A:HIS740 4.0 77.3 1.0
NE2 A:HIS740 4.0 83.2 1.0
CD A:GLU205 4.4 80.7 1.0
CZ A:ARG125 4.5 81.6 1.0
CZ A:TYR662 4.6 74.3 1.0
FAH A:D5C801 4.7 74.9 1.0
CAL A:D5C801 4.8 85.4 1.0

Fluorine binding site 5 out of 12 in 4dtc

Go back to Fluorine Binding Sites List in 4dtc
Fluorine binding site 5 out of 12 in the Crystal Structure of Dpp-IV with Compound C5


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 Dpp-IV with Compound C5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:74.9
occ:1.00
FAH A:D5C801 0.0 74.9 1.0
CAA A:D5C801 1.4 89.1 1.0
CAB A:D5C801 2.4 90.5 1.0
CAF A:D5C801 2.4 92.9 1.0
FAI A:D5C801 2.7 83.5 1.0
CG2 A:VAL656 3.1 77.0 1.0
CG2 A:VAL711 3.2 60.4 1.0
OG A:SER630 3.6 81.7 1.0
CAC A:D5C801 3.7 93.4 1.0
CAE A:D5C801 3.7 85.4 1.0
N A:TYR631 3.8 64.5 1.0
CZ A:TYR662 3.9 74.3 1.0
CE1 A:TYR662 4.0 72.3 1.0
C A:SER630 4.2 69.6 1.0
OH A:TYR662 4.2 83.5 1.0
CAD A:D5C801 4.2 79.2 1.0
CE2 A:TYR662 4.3 71.8 1.0
CA A:TYR631 4.4 71.0 1.0
CB A:VAL656 4.4 65.2 1.0
CA A:SER630 4.4 70.8 1.0
CD1 A:TYR662 4.5 68.8 1.0
CB A:SER630 4.5 71.6 1.0
CB A:VAL711 4.6 72.8 1.0
FAG A:D5C801 4.7 0.1 1.0
NE2 A:HIS740 4.7 83.2 1.0
CD2 A:TYR662 4.7 80.7 1.0
CG A:TYR662 4.8 72.4 1.0
CE1 A:HIS740 4.9 92.6 1.0
O A:SER630 4.9 69.6 1.0
CB A:TYR631 4.9 69.2 1.0
N A:VAL656 4.9 68.5 1.0

Fluorine binding site 6 out of 12 in 4dtc

Go back to Fluorine Binding Sites List in 4dtc
Fluorine binding site 6 out of 12 in the Crystal Structure of Dpp-IV with Compound C5


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 Dpp-IV with Compound C5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:83.5
occ:1.00
FAI A:D5C801 0.0 83.5 1.0
CAB A:D5C801 1.3 90.5 1.0
CAA A:D5C801 2.3 89.1 1.0
CAC A:D5C801 2.4 93.4 1.0
FAH A:D5C801 2.7 74.9 1.0
CD2 A:TYR631 3.3 78.9 1.0
CE1 A:TYR666 3.4 73.7 1.0
CZ A:TYR666 3.6 73.0 1.0
CAF A:D5C801 3.6 92.9 1.0
OH A:TYR666 3.6 69.7 1.0
CB A:TYR631 3.6 69.2 1.0
CAD A:D5C801 3.6 79.2 1.0
CH2 A:TRP659 3.8 85.6 1.0
CG A:TYR631 3.9 81.4 1.0
CA A:TYR631 4.0 71.0 1.0
CAE A:D5C801 4.1 85.4 1.0
N A:TYR631 4.1 64.5 1.0
CD1 A:TYR666 4.1 79.8 1.0
CZ3 A:TRP659 4.2 71.4 1.0
CE2 A:TYR662 4.2 71.8 1.0
CE2 A:TYR631 4.4 81.8 1.0
OH A:TYR547 4.5 83.9 1.0
CE2 A:TYR666 4.5 80.9 1.0
CG2 A:VAL656 4.5 77.0 1.0
CZ A:TYR662 4.6 74.3 1.0
CD2 A:TYR662 4.7 80.7 1.0
CAJ A:D5C801 4.8 90.7 1.0
OG A:SER630 4.8 81.7 1.0
OH A:TYR662 4.9 83.5 1.0
CG A:TYR666 5.0 76.0 1.0

Fluorine binding site 7 out of 12 in 4dtc

Go back to Fluorine Binding Sites List in 4dtc
Fluorine binding site 7 out of 12 in the Crystal Structure of Dpp-IV with Compound C5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Dpp-IV with Compound C5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:0.9
occ:1.00
FBE B:D5C801 0.0 0.9 1.0
CBD B:D5C801 1.4 0.8 1.0
FBF B:D5C801 2.2 0.9 1.0
FBG B:D5C801 2.2 0.6 1.0
CBB B:D5C801 2.3 0.7 1.0
CBA B:D5C801 2.8 0.1 1.0
OE2 B:GLU361 3.4 0.1 1.0
CBC B:D5C801 3.4 0.5 1.0
CD B:GLU361 4.0 0.1 1.0
CAZ B:D5C801 4.1 0.3 1.0
OE1 B:GLU361 4.2 0.7 1.0
N B:GLU361 4.4 89.9 1.0
CA B:SER360 4.5 0.8 1.0
CAX B:D5C801 4.6 0.7 1.0
CAY B:D5C801 4.8 0.6 1.0
CB B:SER360 4.9 0.3 1.0
C B:SER360 5.0 0.7 1.0

Fluorine binding site 8 out of 12 in 4dtc

Go back to Fluorine Binding Sites List in 4dtc
Fluorine binding site 8 out of 12 in the Crystal Structure of Dpp-IV with Compound C5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Dpp-IV with Compound C5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:0.9
occ:1.00
FBF B:D5C801 0.0 0.9 1.0
CBD B:D5C801 1.4 0.8 1.0
FBE B:D5C801 2.2 0.9 1.0
FBG B:D5C801 2.2 0.6 1.0
CBB B:D5C801 2.3 0.7 1.0
CBC B:D5C801 2.6 0.5 1.0
CBA B:D5C801 3.6 0.1 1.0
CAX B:D5C801 4.0 0.7 1.0
O B:ARG358 4.0 0.8 1.0
CG B:ARG358 4.2 1.0 1.0
CA B:SER360 4.3 0.8 1.0
O B:PRO359 4.4 0.1 1.0
CAZ B:D5C801 4.7 0.3 1.0
C B:PRO359 4.7 0.5 1.0
N B:SER360 4.8 0.5 1.0
CD B:ARG358 4.8 0.0 1.0
C B:ARG358 4.8 0.7 1.0
CAU B:D5C801 4.8 0.4 1.0
CAY B:D5C801 4.8 0.6 1.0
CB B:SER360 4.9 0.3 1.0
N B:ARG358 5.0 98.4 1.0

Fluorine binding site 9 out of 12 in 4dtc

Go back to Fluorine Binding Sites List in 4dtc
Fluorine binding site 9 out of 12 in the Crystal Structure of Dpp-IV with Compound C5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Dpp-IV with Compound C5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:0.6
occ:1.00
FBG B:D5C801 0.0 0.6 1.0
CBD B:D5C801 1.4 0.8 1.0
FBF B:D5C801 2.2 0.9 1.0
FBE B:D5C801 2.2 0.9 1.0
CBB B:D5C801 2.3 0.7 1.0
CBA B:D5C801 2.9 0.1 1.0
O B:PRO359 3.1 0.1 1.0
CBC B:D5C801 3.3 0.5 1.0
CG B:ARG358 3.5 1.0 1.0
CA B:SER360 3.6 0.8 1.0
N B:GLU361 3.8 89.9 1.0
CD B:ARG358 3.9 0.0 1.0
C B:PRO359 3.9 0.5 1.0
NH2 B:ARG358 3.9 0.3 1.0
NE B:ARG358 3.9 0.8 1.0
C B:SER360 4.0 0.7 1.0
CZ B:ARG358 4.0 0.2 1.0
N B:SER360 4.1 0.5 1.0
CAZ B:D5C801 4.2 0.3 1.0
O B:ARG358 4.5 0.8 1.0
CAX B:D5C801 4.5 0.7 1.0
CB B:SER360 4.6 0.3 1.0
OE2 B:GLU361 4.7 0.1 1.0
NH1 B:ARG358 4.7 0.6 1.0
C B:ARG358 4.8 0.7 1.0
CAY B:D5C801 4.8 0.6 1.0
O B:SER360 4.8 0.0 1.0
CA B:GLU361 4.9 0.7 1.0
CB B:GLU361 4.9 0.1 1.0
CD B:GLU361 4.9 0.1 1.0
CB B:ARG358 4.9 99.1 1.0

Fluorine binding site 10 out of 12 in 4dtc

Go back to Fluorine Binding Sites List in 4dtc
Fluorine binding site 10 out of 12 in the Crystal Structure of Dpp-IV with Compound C5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Dpp-IV with Compound C5 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:0.7
occ:1.00
FAG B:D5C801 0.0 0.7 1.0
CAE B:D5C801 1.3 88.7 1.0
CAF B:D5C801 2.3 89.8 1.0
CAD B:D5C801 2.3 85.8 1.0
CAJ B:D5C801 2.8 83.1 1.0
NAM B:D5C801 3.1 90.8 1.0
NH2 B:ARG125 3.1 78.0 1.0
OE2 B:GLU205 3.2 79.8 1.0
OH B:TYR662 3.3 82.6 1.0
CAK B:D5C801 3.5 85.9 1.0
ND2 B:ASN710 3.5 78.0 1.0
CAA B:D5C801 3.5 89.2 1.0
CAC B:D5C801 3.5 89.5 1.0
OG B:SER630 3.9 85.9 1.0
CAB B:D5C801 4.0 87.7 1.0
OD1 B:ASN710 4.2 79.3 1.0
CG B:ASN710 4.2 72.3 1.0
CD2 B:HIS740 4.2 65.1 1.0
NE2 B:HIS740 4.3 70.3 1.0
CD B:GLU205 4.4 93.6 1.0
CAL B:D5C801 4.4 80.4 1.0
CZ B:ARG125 4.4 80.7 1.0
CZ B:TYR662 4.6 83.1 1.0
FAH B:D5C801 4.6 96.1 1.0

Reference:

B.Xiong, L.R.Zhu, D.Q.Chen, Y.L.Zhao, F.Jiang, J.K.Shen. Crystal Structure of Dpp-IV with Compound C5 To Be Published.
Page generated: Thu Aug 1 01:05:11 2024

Last articles

Cl in 4IBL
Cl in 4IBK
Cl in 4ICN
Cl in 4IBI
Cl in 4IBG
Cl in 4IBF
Cl in 4IB2
Cl in 4IBC
Cl in 4IBE
Cl in 4IB5
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy