Iodine in PDB 7jsy: Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal

Enzymatic activity of Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal

All present enzymatic activity of Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal:
3.4.21.64;

Iodine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Iodine atom in the Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal (pdb code 7jsy). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 12 binding sites of Iodine where determined in the Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal, PDB code: 7jsy:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 12 in 7jsy

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Iodine binding site 1 out of 12 in the Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I501

b:13.5
occ:0.59
 I3 A:I3C501 0.0 13.5 0.6
C6 A:I3C501 2.1 18.5 0.6
C1 A:I3C501 3.0 21.0 0.6
C5 A:I3C501 3.1 18.7 0.6
O8 A:I3C501 3.2 28.7 0.6
HA2 A:GLY265 3.2 9.9 1.0
N13 A:I3C501 3.2 19.4 0.6
C7 A:I3C501 3.3 28.8 0.6
HB3 A:ALA263 3.3 15.9 1.0
HN1A A:I3C501 3.3 23.2 0.6
HG A:SER329 3.4 29.7 1.0
HA A:LEU238 3.6 21.9 1.0
OG A:SER329 3.6 24.8 1.0
HB1 A:ALA263 3.7 15.9 1.0
HN13 A:I3C501 3.7 23.2 0.6
HG1 A:THR328 3.8 10.5 1.0
CB A:ALA263 3.9 13.2 1.0
OG1 A:THR328 3.9 8.8 1.0
O A:HOH800 3.9 28.4 1.0
C A:LEU238 4.0 20.6 1.0
CA A:LEU238 4.1 18.2 1.0
O9 A:I3C501 4.2 26.0 0.6
HB2 A:ALA263 4.2 15.9 1.0
CA A:GLY265 4.2 8.3 1.0
N A:GLY239 4.2 19.3 1.0
N A:LEU238 4.2 14.8 1.0
O A:LEU238 4.2 19.0 1.0
HA3 A:GLY239 4.3 33.3 1.0
C2 A:I3C501 4.3 22.2 0.6
H A:GLY239 4.4 23.1 1.0
C4 A:I3C501 4.4 20.2 0.6
H A:LEU238 4.4 17.7 1.0
H A:GLY265 4.4 8.3 1.0
H A:SER329 4.4 10.6 1.0
O A:HOH739 4.5 26.1 1.0
H A:ASN266 4.6 8.4 1.0
N A:GLY265 4.6 6.9 1.0
O A:HOH729 4.7 21.3 1.0
HA3 A:GLY265 4.7 9.9 1.0
C A:SER237 4.7 13.1 1.0
CA A:GLY239 4.8 27.8 1.0
N A:SER329 4.8 8.9 1.0
CB A:SER329 4.9 11.1 1.0
C3 A:I3C501 4.9 17.2 0.6
HB3 A:ASN266 4.9 25.0 1.0
O A:SER237 4.9 13.9 1.0
N A:ASN266 4.9 7.1 1.0
C A:GLY265 5.0 9.2 1.0
HA A:SER329 5.0 15.2 1.0

Iodine binding site 2 out of 12 in 7jsy

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Iodine binding site 2 out of 12 in the Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I501

b:22.2
occ:0.59
 I2 A:I3C501 0.0 22.2 0.6
C4 A:I3C501 2.1 20.2 0.6
C3 A:I3C501 3.0 17.2 0.6
C5 A:I3C501 3.1 18.7 0.6
C10 A:I3C501 3.2 28.4 0.6
N13 A:I3C501 3.2 19.4 0.6
O12 A:I3C501 3.3 25.3 0.6
O A:HOH626 3.3 17.9 1.0
HN13 A:I3C501 3.3 23.2 0.6
HD21 A:ASN266 3.4 46.6 1.0
HA3 A:GLY327 3.4 10.6 1.0
O A:HOH630 3.5 26.4 1.0
O A:HOH809 3.5 15.2 1.0
O A:HOH756 3.5 18.6 1.0
ND2 A:ASN266 3.6 38.9 1.0
O A:SER326 3.6 13.1 1.0
HB3 A:ASN266 3.7 25.0 1.0
HN1A A:I3C501 3.7 23.2 0.6
HA2 A:GLY327 3.8 10.6 1.0
HD22 A:ASN266 3.9 46.6 1.0
CG A:ASN266 3.9 35.6 1.0
HB2 A:ASN266 4.0 25.0 1.0
O11 A:I3C501 4.0 22.0 0.6
CB A:ASN266 4.1 20.9 1.0
CA A:GLY327 4.1 8.8 1.0
C2 A:I3C501 4.4 22.2 0.6
C6 A:I3C501 4.4 18.5 0.6
C A:SER326 4.6 8.2 1.0
OD1 A:ASN266 4.6 22.1 1.0
N A:GLY327 4.8 8.3 1.0
H A:THR328 4.9 10.0 1.0
C1 A:I3C501 4.9 21.0 0.6

Iodine binding site 3 out of 12 in 7jsy

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Iodine binding site 3 out of 12 in the Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I501

b:32.1
occ:0.59
 I1 A:I3C501 0.0 32.1 0.6
C2 A:I3C501 2.1 22.2 0.6
C3 A:I3C501 3.0 17.2 0.6
C1 A:I3C501 3.1 21.0 0.6
O9 A:I3C501 3.2 26.0 0.6
O A:HOH601 3.2 33.6 1.0
C10 A:I3C501 3.2 28.4 0.6
C7 A:I3C501 3.3 28.8 0.6
O11 A:I3C501 3.3 22.0 0.6
O12 A:I3C501 4.0 25.3 0.6
O8 A:I3C501 4.1 28.7 0.6
C4 A:I3C501 4.4 20.2 0.6
C6 A:I3C501 4.4 18.5 0.6
OD1 A:ASN266 4.7 22.1 1.0
C5 A:I3C501 4.9 18.7 0.6
HD22 A:ASN266 5.0 46.6 1.0

Iodine binding site 4 out of 12 in 7jsy

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Iodine binding site 4 out of 12 in the Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I502

b:19.0
occ:0.61
 I3 A:I3C502 0.0 19.0 0.6
C6 A:I3C502 2.1 16.4 0.6
C5 A:I3C502 3.1 21.7 0.6
C1 A:I3C502 3.1 9.9 0.6
HA A:PRO112 3.2 9.0 1.0
N13 A:I3C502 3.2 26.4 0.6
C7 A:I3C502 3.3 7.8 0.6
O A:ALA111 3.3 8.6 1.0
HN13 A:I3C502 3.4 31.7 0.6
O A:HOH685 3.5 21.7 1.0
HN1A A:I3C502 3.6 31.7 0.6
O8 A:I3C502 3.6 8.7 0.6
O A:ASN110 3.7 12.3 1.0
O9 A:I3C502 3.8 10.0 0.6
C A:ALA111 3.8 7.3 1.0
CA A:PRO112 4.0 7.5 1.0
N A:PRO112 4.1 7.8 1.0
C A:ASN110 4.3 7.9 1.0
C4 A:I3C502 4.4 17.9 0.6
C2 A:I3C502 4.4 14.0 0.6
H A:TRP113 4.5 7.5 1.0
HB3 A:ASN110 4.6 14.8 1.0
HD21 A:LEU314 4.7 16.5 1.0
HD23 A:LEU314 4.7 16.5 1.0
HG3 A:PRO112 4.7 13.1 1.0
HA A:ASN110 4.8 13.0 1.0
C A:PRO112 4.8 6.0 1.0
N A:TRP113 4.8 6.3 1.0
CA A:ALA111 4.9 9.8 1.0
N A:ALA111 4.9 7.8 1.0
C3 A:I3C502 4.9 12.1 0.6
HA A:ALA111 5.0 11.7 1.0

Iodine binding site 5 out of 12 in 7jsy

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Iodine binding site 5 out of 12 in the Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I502

b:32.2
occ:0.61
 I2 A:I3C502 0.0 32.2 0.6
C4 A:I3C502 2.1 17.9 0.6
C5 A:I3C502 3.0 21.7 0.6
C3 A:I3C502 3.1 12.1 0.6
N13 A:I3C502 3.1 26.4 0.6
HN1A A:I3C502 3.3 31.7 0.6
C10 A:I3C502 3.3 18.0 0.6
O12 A:I3C502 3.4 25.7 0.6
HN13 A:I3C502 3.5 31.7 0.6
HD23 A:LEU314 3.9 16.5 1.0
HD22 A:LEU314 3.9 16.5 1.0
O11 A:I3C502 4.2 29.1 0.6
C6 A:I3C502 4.3 16.4 0.6
CD2 A:LEU314 4.3 13.8 1.0
C2 A:I3C502 4.4 14.0 0.6
HD11 A:LEU314 4.6 16.7 1.0
HD12 A:LEU314 4.8 16.7 1.0
C1 A:I3C502 4.9 9.9 0.6
HD21 A:LEU314 5.0 16.5 1.0

Iodine binding site 6 out of 12 in 7jsy

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Iodine binding site 6 out of 12 in the Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I502

b:17.4
occ:0.61
 I1 A:I3C502 0.0 17.4 0.6
C2 A:I3C502 2.1 14.0 0.6
C3 A:I3C502 3.0 12.1 0.6
O11 A:I3C502 3.1 29.1 0.6
C1 A:I3C502 3.1 9.9 0.6
C10 A:I3C502 3.1 18.0 0.6
C7 A:I3C502 3.3 7.8 0.6
OG A:SER312 3.3 20.3 1.0
HH22 A:ARG290 3.3 36.0 1.0
HG A:SER312 3.3 24.4 1.0
HB2 A:SER324 3.4 20.5 1.0
HB2 A:LEU314 3.6 14.8 1.0
O9 A:I3C502 3.6 10.0 0.6
O A:HOH615 3.6 6.9 1.0
HG A:SER324 3.6 23.5 1.0
O A:SER312 3.7 10.3 1.0
HH21 A:ARG290 3.8 36.0 1.0
OG A:SER324 3.8 19.6 1.0
O8 A:I3C502 3.8 8.7 0.6
NH2 A:ARG290 3.9 30.0 1.0
O12 A:I3C502 3.9 25.7 0.6
CB A:SER324 4.1 17.1 1.0
HD1 A:TRP113 4.3 11.1 1.0
C4 A:I3C502 4.3 17.9 0.6
C6 A:I3C502 4.4 16.4 0.6
HB3 A:SER324 4.4 20.5 1.0
HD23 A:LEU314 4.4 16.5 1.0
O A:HOH776 4.5 24.5 1.0
C A:SER312 4.5 6.9 1.0
CB A:SER312 4.5 8.3 1.0
CB A:LEU314 4.5 12.3 1.0
HB3 A:SER312 4.6 10.0 1.0
H A:LEU314 4.6 8.9 1.0
HD11 A:LEU314 4.7 16.7 1.0
HB3 A:LEU314 4.8 14.8 1.0
C5 A:I3C502 4.9 21.7 0.6
N A:LEU314 4.9 7.5 1.0

Iodine binding site 7 out of 12 in 7jsy

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Iodine binding site 7 out of 12 in the Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I503

b:21.1
occ:0.58
 I3 A:I3C503 0.0 21.1 0.6
C6 A:I3C503 2.1 10.5 0.6
C1 A:I3C503 3.0 11.0 0.6
O8 A:I3C503 3.0 25.0 0.6
C5 A:I3C503 3.0 15.6 0.6
HN13 A:I3C503 3.2 28.1 0.6
N13 A:I3C503 3.2 23.4 0.6
C7 A:I3C503 3.2 18.9 0.6
OH A:TYR300 3.4 24.5 1.0
O A:HOH656 3.5 23.1 1.0
HG3 A:PRO370 3.6 19.0 1.0
CZ A:TYR300 3.6 20.7 1.0
HE2 A:TYR300 3.7 17.2 1.0
HN1A A:I3C503 3.7 28.1 0.6
CE2 A:TYR300 3.8 14.3 1.0
HH A:TYR300 3.9 29.4 1.0
HH22 A:ARG294 4.0 27.9 1.0
O9 A:I3C503 4.2 27.1 0.6
HG2 A:PRO370 4.2 19.0 1.0
HB3 A:PRO370 4.3 16.5 1.0
CG A:PRO370 4.3 15.8 1.0
C2 A:I3C503 4.3 19.0 0.6
NH2 A:ARG294 4.3 23.3 1.0
C4 A:I3C503 4.3 12.7 0.6
HH21 A:ARG294 4.3 27.9 1.0
CE1 A:TYR300 4.4 20.4 1.0
CD2 A:TYR300 4.6 10.0 1.0
HE1 A:TYR300 4.6 24.4 1.0
OD1 A:ASN268 4.8 16.5 1.0
CB A:PRO370 4.8 13.8 1.0
C3 A:I3C503 4.9 14.3 0.6
HD21 A:ASN268 4.9 28.2 1.0

Iodine binding site 8 out of 12 in 7jsy

Go back to Iodine Binding Sites List in 7jsy
Iodine binding site 8 out of 12 in the Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I503

b:22.3
occ:0.58
 I2 A:I3C503 0.0 22.3 0.6
C4 A:I3C503 2.1 12.7 0.6
O A:HOH783 3.0 24.9 1.0
C5 A:I3C503 3.0 15.6 0.6
C3 A:I3C503 3.1 14.3 0.6
HN1A A:I3C503 3.1 28.1 0.6
N13 A:I3C503 3.2 23.4 0.6
C10 A:I3C503 3.3 11.4 0.6
O11 A:I3C503 3.6 14.2 0.6
HN13 A:I3C503 3.7 28.1 0.6
O12 A:I3C503 3.9 14.6 0.6
HB3 A:PHE371 4.0 27.8 1.0
HB3 A:PRO370 4.1 16.5 1.0
H A:PHE371 4.2 15.1 1.0
C6 A:I3C503 4.3 10.5 0.6
C2 A:I3C503 4.4 19.0 0.6
HB2 A:PHE371 4.4 27.8 1.0
CB A:PHE371 4.6 23.2 1.0
N A:PHE371 4.8 12.6 1.0
C1 A:I3C503 4.9 11.0 0.6
HA A:PRO370 4.9 18.9 1.0
CB A:PRO370 5.0 13.8 1.0

Iodine binding site 9 out of 12 in 7jsy

Go back to Iodine Binding Sites List in 7jsy
Iodine binding site 9 out of 12 in the Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I503

b:25.9
occ:0.58
 I1 A:I3C503 0.0 25.9 0.6
C2 A:I3C503 2.1 19.0 0.6
C1 A:I3C503 3.0 11.0 0.6
C3 A:I3C503 3.1 14.3 0.6
O9 A:I3C503 3.1 27.1 0.6
O A:HOH792 3.1 30.2 1.0
HD22 A:ASN368 3.1 33.8 1.0
C7 A:I3C503 3.2 18.9 0.6
C10 A:I3C503 3.2 11.4 0.6
HA A:PRO370 3.4 18.9 1.0
HA A:ASN368 3.6 11.8 1.0
O12 A:I3C503 3.6 14.6 0.6
ND2 A:ASN368 3.6 28.2 1.0
HD21 A:ASN368 3.6 33.8 1.0
O11 A:I3C503 3.8 14.2 0.6
O A:ILE369 4.2 16.7 1.0
O8 A:I3C503 4.2 25.0 0.6
CA A:PRO370 4.3 15.8 1.0
C6 A:I3C503 4.3 10.5 0.6
C4 A:I3C503 4.4 12.7 0.6
C A:ILE369 4.4 12.6 1.0
CA A:ASN368 4.4 9.8 1.0
C A:ASN368 4.4 8.4 1.0
N A:PRO370 4.5 10.7 1.0
HG3 A:PRO370 4.6 19.0 1.0
H A:PHE371 4.7 15.1 1.0
N A:ILE369 4.7 6.8 1.0
O A:ASN368 4.7 10.8 1.0
CG A:ASN368 4.8 22.9 1.0
HB3 A:PRO370 4.8 16.5 1.0
C5 A:I3C503 4.9 15.6 0.6
H A:ILE369 4.9 8.1 1.0

Iodine binding site 10 out of 12 in 7jsy

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Iodine binding site 10 out of 12 in the Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Proteinase K Soaked with I3C Determined By Microed From A Single Milled Microcrystal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I504

b:29.1
occ:0.75
 I3 A:I3C504 0.0 29.1 0.8
C6 A:I3C504 2.1 15.4 0.8
C5 A:I3C504 3.0 17.0 0.8
N13 A:I3C504 3.0 27.9 0.8
C1 A:I3C504 3.1 16.8 0.8
HN13 A:I3C504 3.2 33.5 0.8
C7 A:I3C504 3.3 27.3 0.8
HA3 A:GLY364 3.3 18.8 1.0
HA2 A:GLY364 3.4 18.8 1.0
HN1A A:I3C504 3.4 33.5 0.8
O9 A:I3C504 3.4 28.1 0.8
HB3 A:ASN375 3.5 12.0 1.0
CA A:GLY364 3.6 15.6 1.0
H A:GLY364 3.6 14.0 1.0
N A:GLY364 3.7 11.7 1.0
HB3 A:LYS363 3.8 16.2 1.0
O A:HOH721 4.0 28.4 1.0
O A:HOH825 4.0 14.2 1.0
O8 A:I3C504 4.0 32.9 0.8
O A:HOH765 4.1 16.1 1.0
O A:HOH724 4.2 29.5 1.0
C4 A:I3C504 4.3 16.8 0.8
C A:LYS363 4.3 13.2 1.0
C2 A:I3C504 4.3 12.7 0.8
CB A:ASN375 4.5 10.0 1.0
O A:ASN375 4.5 9.7 1.0
CB A:LYS363 4.6 13.5 1.0
HB2 A:ASN375 4.8 12.0 1.0
C3 A:I3C504 4.8 12.7 0.8
HA A:LYS363 4.8 13.2 1.0
HB2 A:LYS363 4.8 16.2 1.0
CA A:LYS363 4.9 11.0 1.0
O A:LYS363 4.9 13.0 1.0
H A:ASN375 4.9 11.5 1.0

Reference:

M.W.Martynowycz, T.Gonen. Ligand Incorporation Into Protein Microcrystals For Microed By on-Grid Soaking. Structure 2020.
ISSN: ISSN 0969-2126
PubMed: 33007196
DOI: 10.1016/J.STR.2020.09.003
Page generated: Sun Dec 13 19:58:35 2020

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