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Mercury in PDB 1n1m: Human Dipeptidyl Peptidase IV/CD26 in Complex with An Inhibitor

Enzymatic activity of Human Dipeptidyl Peptidase IV/CD26 in Complex with An Inhibitor

All present enzymatic activity of Human Dipeptidyl Peptidase IV/CD26 in Complex with An Inhibitor:
3.4.14.5;

Protein crystallography data

The structure of Human Dipeptidyl Peptidase IV/CD26 in Complex with An Inhibitor, PDB code: 1n1m was solved by H.B.Rasmussen, S.Branner, F.C.Wiberg, N.R.Wagtmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.98 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 119.234, 123.448, 131.315, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Mercury Binding Sites:

The binding sites of Mercury atom in the Human Dipeptidyl Peptidase IV/CD26 in Complex with An Inhibitor (pdb code 1n1m). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Human Dipeptidyl Peptidase IV/CD26 in Complex with An Inhibitor, PDB code: 1n1m:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in 1n1m

Go back to Mercury Binding Sites List in 1n1m
Mercury binding site 1 out of 4 in the Human Dipeptidyl Peptidase IV/CD26 in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Human Dipeptidyl Peptidase IV/CD26 in Complex with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg950

b:56.6
occ:1.00
SG A:CYS551 2.6 21.6 1.0
O A:CYS551 2.9 19.9 1.0
OH A:TYR585 3.1 24.4 1.0
CZ A:TYR585 3.4 23.9 1.0
CE2 A:PHE357 3.5 25.7 1.0
CB A:CYS551 3.5 19.7 1.0
C A:CYS551 3.6 19.4 1.0
CE2 A:TYR585 3.8 23.8 1.0
CA A:CYS551 4.1 19.2 1.0
CE1 A:TYR585 4.1 23.8 1.0
CD A:ARG356 4.3 22.6 1.0
CZ A:PHE357 4.3 25.8 1.0
CD2 A:PHE357 4.3 25.5 1.0
N A:SER552 4.5 19.1 1.0
CD2 A:TYR585 4.7 23.2 1.0
CB A:ARG356 4.8 22.4 1.0
CA A:SER552 4.8 18.4 1.0

Mercury binding site 2 out of 4 in 1n1m

Go back to Mercury Binding Sites List in 1n1m
Mercury binding site 2 out of 4 in the Human Dipeptidyl Peptidase IV/CD26 in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Human Dipeptidyl Peptidase IV/CD26 in Complex with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg951

b:36.0
occ:1.00
SG A:CYS301 2.6 25.3 1.0
O A:HOH1420 2.9 36.5 1.0
CB A:CYS301 3.0 27.1 1.0
CA A:CYS301 3.5 28.3 1.0
CD2 A:LEU316 3.7 25.7 1.0
CG2 A:VAL207 3.7 24.8 1.0
CD A:PRO359 3.9 26.7 1.0
CB A:LEU316 4.2 26.9 1.0
N A:CYS301 4.3 28.5 1.0
CB A:ARG358 4.4 27.3 1.0
CB A:TYR299 4.4 27.8 1.0
CB A:VAL207 4.4 25.4 1.0
CG A:PRO359 4.5 27.0 1.0
CG A:LEU316 4.6 26.7 1.0
C A:CYS301 4.7 28.9 1.0
C A:LEU300 4.9 28.6 1.0
CA A:ARG358 4.9 26.6 1.0
O A:LEU300 4.9 29.1 1.0
O A:VAL207 4.9 26.2 1.0
O A:CYS301 4.9 29.3 1.0
CA A:VAL207 5.0 25.5 1.0

Mercury binding site 3 out of 4 in 1n1m

Go back to Mercury Binding Sites List in 1n1m
Mercury binding site 3 out of 4 in the Human Dipeptidyl Peptidase IV/CD26 in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Human Dipeptidyl Peptidase IV/CD26 in Complex with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg952

b:37.0
occ:1.00
SG B:CYS301 2.7 28.7 1.0
O B:HOH1342 3.0 41.1 1.0
CB B:CYS301 3.1 28.1 1.0
CD2 B:LEU316 3.4 25.3 1.0
CA B:CYS301 3.6 28.7 1.0
CD B:PRO359 3.6 35.6 1.0
CB B:LEU316 4.0 26.2 1.0
N B:CYS301 4.3 27.7 1.0
CG B:PRO359 4.3 35.7 1.0
CG B:LEU316 4.4 26.1 1.0
CB B:ARG358 4.4 36.0 1.0
CB B:TYR299 4.4 24.0 1.0
C B:CYS301 4.8 29.4 1.0
CB B:VAL207 4.8 21.9 1.0
C B:LEU300 4.8 26.9 1.0
O B:LEU300 4.8 27.3 1.0
N B:PRO359 4.9 35.5 1.0

Mercury binding site 4 out of 4 in 1n1m

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Mercury binding site 4 out of 4 in the Human Dipeptidyl Peptidase IV/CD26 in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Human Dipeptidyl Peptidase IV/CD26 in Complex with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg953

b:60.9
occ:1.00
SG B:CYS551 2.7 28.4 1.0
O B:CYS551 3.1 28.7 1.0
CE2 B:PHE357 3.5 33.5 1.0
OH B:TYR585 3.6 25.9 1.0
CZ B:TYR585 3.6 25.4 1.0
CB B:CYS551 3.7 27.8 1.0
C B:CYS551 3.7 28.0 1.0
CE2 B:TYR585 3.9 25.5 1.0
CE1 B:TYR585 4.2 24.8 1.0
CD2 B:PHE357 4.2 33.3 1.0
CA B:CYS551 4.3 27.9 1.0
CD B:ARG356 4.3 30.0 1.0
CZ B:PHE357 4.4 33.4 1.0
N B:SER552 4.5 27.4 1.0
CD2 B:TYR585 4.6 25.3 1.0
CB B:ARG356 4.8 30.7 1.0
CA B:SER552 4.8 27.0 1.0
CG B:ARG356 4.9 30.4 1.0
CD1 B:TYR585 4.9 24.5 1.0

Reference:

H.B.Rasmussen, S.Branner, F.C.Wiberg, N.R.Wagtmann. Crystal Structure of Human Dipeptidyl Peptidase IV/CD26 in Complex with A Substrate Analogue Nat.Struct.Biol. V. 10 19 2003.
ISSN: ISSN 1072-8368
PubMed: 12483204
DOI: 10.1038/NSB882
Page generated: Wed Oct 28 18:40:06 2020

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