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Chlorine in PDB 6qlw: Cathepsin-K in Complex with Miv-710

Enzymatic activity of Cathepsin-K in Complex with Miv-710

All present enzymatic activity of Cathepsin-K in Complex with Miv-710:
3.4.22.38;

Protein crystallography data

The structure of Cathepsin-K in Complex with Miv-710, PDB code: 6qlw was solved by D.J.Derbyshire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 74.47 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 75.727, 69.484, 78.680, 90.00, 100.89, 90.00
R / Rfree (%) 18 / 22.5

Other elements in 6qlw:

The structure of Cathepsin-K in Complex with Miv-710 also contains other interesting chemical elements:

Fluorine (F) 4 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Cathepsin-K in Complex with Miv-710 (pdb code 6qlw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Cathepsin-K in Complex with Miv-710, PDB code: 6qlw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 6qlw

Go back to Chlorine Binding Sites List in 6qlw
Chlorine binding site 1 out of 11 in the Cathepsin-K in Complex with Miv-710


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cathepsin-K in Complex with Miv-710 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:20.2
occ:0.95
 CL A:J5T301 0.0 20.2 0.9
C12 A:J5T301 1.8 18.1 0.9
C11 A:J5T301 2.6 17.6 0.9
C13 A:J5T301 2.7 17.7 0.9
O1 A:J5T301 2.9 17.7 0.9
O A:HOH494 3.4 38.5 1.0
O C:HOH640 3.6 38.5 1.0
N2 A:J5T301 3.8 16.9 0.9
C10 A:J5T301 3.9 17.0 0.9
O A:ASN161 4.0 15.6 1.0
O A:HOH466 4.1 29.0 1.0
C15 A:J5T301 4.1 17.0 0.9
O2 A:J5T301 4.7 16.6 0.9
O A:HOH625 4.8 35.6 1.0
C14 A:J5T301 4.8 16.6 0.9
CB A:ASN161 4.8 16.7 1.0
O A:HOH513 4.9 38.0 1.0
C A:ASN161 4.9 15.6 1.0
O C:HOH520 4.9 28.0 1.0
O A:HOH550 4.9 39.8 1.0
C9 A:J5T301 5.0 16.3 0.9

Chlorine binding site 2 out of 11 in 6qlw

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Chlorine binding site 2 out of 11 in the Cathepsin-K in Complex with Miv-710


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cathepsin-K in Complex with Miv-710 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:25.7
occ:1.00
 OG A:SER95 3.1 23.1 1.0
O A:HOH594 3.2 37.3 1.0
O A:HOH626 3.3 42.5 1.0
N A:SER95 3.4 20.9 1.0
CB A:GLU94 3.7 22.0 1.0
CB A:SER95 3.8 22.0 1.0
CA A:SER95 4.2 21.2 1.0
CA A:GLU94 4.2 21.5 1.0
C A:GLU94 4.3 21.0 1.0
CG A:GLU94 4.6 22.5 1.0
O A:SER95 4.7 20.1 1.0
CD A:GLU94 4.8 23.6 1.0
OE2 A:GLU94 4.8 23.9 1.0
C A:SER95 5.0 20.7 1.0

Chlorine binding site 3 out of 11 in 6qlw

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Chlorine binding site 3 out of 11 in the Cathepsin-K in Complex with Miv-710


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cathepsin-K in Complex with Miv-710 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:37.4
occ:1.00
 NH1 A:ARG198 3.2 16.4 1.0
NZ A:LYS122 3.2 18.8 1.0
O A:HOH604 3.3 37.2 1.0
NZ A:LYS176 3.3 23.1 1.0
ND2 A:ASN199 3.4 18.9 1.0
O A:HOH426 3.6 26.4 1.0
O A:HOH522 3.8 40.9 1.0
CD A:LYS122 4.0 17.8 1.0
O A:HOH615 4.1 43.7 1.0
CE A:LYS122 4.2 18.3 1.0
O A:HOH476 4.2 20.6 1.0
CZ A:ARG198 4.3 16.5 1.0
CD A:LYS176 4.5 21.3 1.0
CE A:LYS176 4.5 22.6 1.0
CG A:ASN199 4.6 18.6 1.0
NH2 A:ARG198 4.6 16.7 1.0
O A:HOH537 4.9 36.0 1.0
O A:HOH586 4.9 37.7 1.0
OD1 A:ASN199 4.9 18.3 1.0

Chlorine binding site 4 out of 11 in 6qlw

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Chlorine binding site 4 out of 11 in the Cathepsin-K in Complex with Miv-710


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Cathepsin-K in Complex with Miv-710 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:38.8
occ:1.00
 NE A:ARG123 3.3 22.1 1.0
NH2 A:ARG123 3.4 24.2 1.0
NZ A:LYS122 3.6 18.8 1.0
O A:HOH599 3.7 39.1 1.0
CZ A:ARG123 3.8 23.7 1.0
O A:HOH504 3.9 37.6 1.0
CE A:LYS122 3.9 18.3 1.0
CB A:ALA1 4.0 23.9 1.0
CD A:LYS119 4.1 21.4 1.0
CD A:LYS122 4.3 17.8 1.0
CG A:ARG123 4.4 19.8 1.0
CG A:LYS119 4.4 20.4 1.0
CD A:ARG123 4.4 20.9 1.0
O A:HOH445 4.5 25.7 1.0
N A:ALA1 4.9 25.5 1.0

Chlorine binding site 5 out of 11 in 6qlw

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Chlorine binding site 5 out of 11 in the Cathepsin-K in Complex with Miv-710


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Cathepsin-K in Complex with Miv-710 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:18.8
occ:0.95
 CL B:J5T301 0.0 18.8 0.9
C12 B:J5T301 1.8 17.6 0.9
C11 B:J5T301 2.7 17.1 0.9
C13 B:J5T301 2.7 17.4 0.9
O1 B:J5T301 2.9 17.2 0.9
N2 B:J5T301 3.9 16.6 0.9
O B:ASN161 4.0 17.9 1.0
C10 B:J5T301 4.0 16.8 0.9
C15 B:J5T301 4.2 16.7 0.9
CB B:ASN161 4.7 19.1 1.0
O2 B:J5T301 4.7 17.1 0.9
O B:HOH470 4.8 25.9 1.0
C14 B:J5T301 4.8 16.5 0.9
C B:ASN161 4.8 17.7 1.0
CA B:ASN161 5.0 18.6 1.0

Chlorine binding site 6 out of 11 in 6qlw

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Chlorine binding site 6 out of 11 in the Cathepsin-K in Complex with Miv-710


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Cathepsin-K in Complex with Miv-710 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:39.3
occ:1.00
 NZ B:LYS176 3.1 24.3 1.0
NH1 B:ARG198 3.1 19.2 1.0
NZ B:LYS122 3.1 21.9 1.0
ND2 B:ASN199 3.4 21.9 1.0
O B:HOH445 3.5 34.3 1.0
CD B:LYS122 4.1 20.5 1.0
O B:HOH602 4.2 42.3 1.0
CZ B:ARG198 4.2 19.1 1.0
CE B:LYS122 4.2 21.3 1.0
CE B:LYS176 4.2 23.7 1.0
CD B:LYS176 4.3 22.4 1.0
NZ B:LYS119 4.3 22.9 0.1
O B:HOH507 4.4 17.1 1.0
NH2 B:ARG198 4.4 19.5 1.0
O B:HOH581 4.5 44.5 1.0
O B:HOH453 4.5 29.4 1.0
CG B:ASN199 4.7 21.4 1.0
CD B:LYS119 4.8 21.8 0.1

Chlorine binding site 7 out of 11 in 6qlw

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Chlorine binding site 7 out of 11 in the Cathepsin-K in Complex with Miv-710


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Cathepsin-K in Complex with Miv-710 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:17.0
occ:0.95
 CL C:J5T301 0.0 17.0 0.9
C12 C:J5T301 1.7 15.8 0.9
C11 C:J5T301 2.6 15.5 0.9
C13 C:J5T301 2.6 15.5 0.9
O1 C:J5T301 2.8 15.3 0.9
O C:HOH510 3.7 33.2 1.0
N2 C:J5T301 3.8 15.0 0.9
C10 C:J5T301 3.9 15.1 0.9
C15 C:J5T301 3.9 14.9 0.9
O C:ASN161 4.0 16.2 1.0
O C:HOH423 4.2 30.2 1.0
O C:HOH542 4.5 38.6 1.0
O A:HOH570 4.5 35.2 1.0
O C:HOH585 4.6 40.1 1.0
O A:HOH493 4.6 39.0 1.0
C14 C:J5T301 4.7 14.9 0.9
O2 C:J5T301 4.8 15.2 0.9
CB C:ASN161 4.8 17.2 1.0
C C:ASN161 4.9 16.1 1.0
O C:HOH460 4.9 45.5 1.0
O C:HOH571 4.9 33.5 1.0
O C:HOH600 4.9 37.3 1.0
C9 C:J5T301 5.0 14.8 0.9

Chlorine binding site 8 out of 11 in 6qlw

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Chlorine binding site 8 out of 11 in the Cathepsin-K in Complex with Miv-710


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Cathepsin-K in Complex with Miv-710 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:30.2
occ:1.00
 O C:HOH634 3.1 36.3 1.0
NH1 C:ARG111 3.1 20.2 1.0
O C:HOH581 3.2 25.9 1.0
CD C:ARG111 3.8 20.1 1.0
CE1 C:PHE212 3.8 17.8 1.0
CZ C:ARG111 4.2 20.4 1.0
CZ C:PHE212 4.2 17.7 1.0
NE C:ARG111 4.5 20.2 1.0
O C:HOH552 4.6 39.7 1.0
O C:HOH642 4.7 47.8 1.0
O C:HOH471 4.7 29.1 1.0
CG2 C:VAL128 4.8 16.0 1.0
CG C:LYS214 4.8 26.3 1.0
CD1 C:PHE212 4.9 17.4 1.0
CG C:ARG111 5.0 19.8 1.0

Chlorine binding site 9 out of 11 in 6qlw

Go back to Chlorine Binding Sites List in 6qlw
Chlorine binding site 9 out of 11 in the Cathepsin-K in Complex with Miv-710


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Cathepsin-K in Complex with Miv-710 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:37.0
occ:1.00
 NE C:ARG123 3.3 24.1 1.0
NH2 C:ARG123 3.3 27.1 1.0
NZ C:LYS122 3.6 18.4 1.0
O C:HOH561 3.7 41.5 1.0
CZ C:ARG123 3.8 25.7 1.0
CB C:ALA1 3.9 23.8 1.0
CE C:LYS122 4.0 18.0 1.0
CE C:LYS119 4.2 21.5 1.0
CG C:LYS119 4.4 20.0 1.0
CG C:ARG123 4.4 21.1 1.0
CD C:LYS122 4.5 17.4 1.0
CD C:ARG123 4.5 22.5 1.0
O C:HOH441 4.5 26.4 1.0
CD C:LYS119 4.9 20.8 1.0
N C:ALA1 4.9 25.2 1.0
NZ C:LYS119 5.0 22.4 1.0
CA C:ALA1 5.0 24.0 1.0

Chlorine binding site 10 out of 11 in 6qlw

Go back to Chlorine Binding Sites List in 6qlw
Chlorine binding site 10 out of 11 in the Cathepsin-K in Complex with Miv-710


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Cathepsin-K in Complex with Miv-710 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:18.8
occ:0.95
 CL D:J5T301 0.0 18.8 0.9
C12 D:J5T301 1.8 17.7 0.9
C11 D:J5T301 2.6 17.1 0.9
C13 D:J5T301 2.7 17.5 0.9
O1 D:J5T301 2.9 17.4 0.9
O D:HOH585 3.4 41.8 1.0
N2 D:J5T301 3.8 16.6 0.9
O D:ASN161 3.9 17.8 1.0
C10 D:J5T301 3.9 16.8 0.9
C15 D:J5T301 4.1 16.9 0.9
O D:HOH481 4.2 38.5 1.0
O D:HOH465 4.2 38.8 1.0
CB D:ASN161 4.7 19.0 1.0
O D:HOH497 4.7 23.9 1.0
C D:ASN161 4.7 17.5 1.0
C14 D:J5T301 4.7 16.6 0.9
O2 D:J5T301 4.8 16.8 0.9
CA D:ASN161 4.9 18.4 1.0

Reference:

D.J.Derbyshire, D.J.Derbyshire. N/A N/A.
Page generated: Mon Jul 29 14:01:41 2024

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