Atomistry » Mercury » PDB 1is9-1obh » 1n1m
Atomistry »
  Mercury »
    PDB 1is9-1obh »
      1n1m »

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

Go back to Mercury Binding Sites List in 1n1m
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: Sun Dec 13 19:04:13 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy