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Iron in PDB 5xic: Crystal Structure of Hasap with Fe-5,10,15-Triphenylporphyrin

Protein crystallography data

The structure of Crystal Structure of Hasap with Fe-5,10,15-Triphenylporphyrin, PDB code: 5xic was solved by O.Shoji, H.Uehara, H.Sugimoto, Y.Shiro, Y.Watanabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.48 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.652, 83.460, 83.489, 90.00, 89.95, 90.00
R / Rfree (%) 19.3 / 21.8

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Hasap with Fe-5,10,15-Triphenylporphyrin (pdb code 5xic). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Hasap with Fe-5,10,15-Triphenylporphyrin, PDB code: 5xic:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 5xic

Go back to Iron Binding Sites List in 5xic
Iron binding site 1 out of 4 in the Crystal Structure of Hasap with Fe-5,10,15-Triphenylporphyrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Hasap with Fe-5,10,15-Triphenylporphyrin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:9.6
occ:1.00
FE A:WXP201 0.0 9.6 1.0
OH A:TYR75 2.1 8.0 1.0
NE2 A:HIS32 2.1 10.5 1.0
NAI A:WXP201 2.1 11.1 1.0
NAS A:WXP201 2.1 12.1 1.0
NAX A:WXP201 2.2 11.8 1.0
NAN A:WXP201 2.2 11.2 1.0
CZ A:TYR75 3.0 8.0 1.0
CE1 A:HIS32 3.0 10.8 1.0
CD2 A:HIS32 3.1 10.8 1.0
CAW A:WXP201 3.1 11.3 1.0
CAH A:WXP201 3.1 11.0 1.0
CAR A:WXP201 3.1 12.5 1.0
CAE A:WXP201 3.1 11.2 1.0
CAO A:WXP201 3.1 12.2 1.0
CAT A:WXP201 3.1 11.8 1.0
CAJ A:WXP201 3.1 11.0 1.0
CAM A:WXP201 3.2 11.3 1.0
CAA A:WXP201 3.4 10.9 1.0
CAD A:WXP201 3.4 11.3 1.0
CAB A:WXP201 3.5 12.0 1.0
CAC A:WXP201 3.5 12.4 1.0
CE1 A:TYR75 3.7 8.0 1.0
CE2 A:TYR75 3.8 7.8 1.0
ND1 A:HIS83 4.0 9.2 1.0
ND1 A:HIS32 4.1 10.9 1.0
CAQ A:WXP201 4.2 12.8 1.0
CAV A:WXP201 4.2 11.5 1.0
CAU A:WXP201 4.2 11.7 1.0
CAP A:WXP201 4.2 12.7 1.0
CAG A:WXP201 4.2 11.2 1.0
CAF A:WXP201 4.2 11.2 1.0
CG A:HIS32 4.2 10.9 1.0
CAK A:WXP201 4.3 11.2 1.0
CAL A:WXP201 4.3 11.3 1.0
CG A:HIS83 4.8 9.1 1.0
CB A:HIS83 4.8 8.9 1.0
CAY A:WXP201 4.8 11.6 1.0
CE1 A:HIS83 4.9 9.4 1.0
CD1 A:TYR75 4.9 8.0 1.0
CBK A:WXP201 4.9 12.6 0.5
CAZ A:WXP201 4.9 12.5 1.0
CBK A:WXP201 4.9 12.7 0.5
CD2 A:TYR75 4.9 7.9 1.0

Iron binding site 2 out of 4 in 5xic

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Iron binding site 2 out of 4 in the Crystal Structure of Hasap with Fe-5,10,15-Triphenylporphyrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Hasap with Fe-5,10,15-Triphenylporphyrin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:9.6
occ:1.00
FE B:WXP201 0.0 9.6 1.0
OH B:TYR75 2.0 8.2 1.0
NE2 B:HIS32 2.1 10.8 1.0
NAS B:WXP201 2.1 12.2 1.0
NAX B:WXP201 2.1 11.7 1.0
NAI B:WXP201 2.2 11.2 1.0
NAN B:WXP201 2.2 11.2 1.0
CZ B:TYR75 3.0 8.1 1.0
CE1 B:HIS32 3.0 11.1 1.0
CD2 B:HIS32 3.1 11.3 1.0
CAR B:WXP201 3.1 12.4 1.0
CAW B:WXP201 3.1 11.4 1.0
CAO B:WXP201 3.1 12.2 1.0
CAH B:WXP201 3.1 11.0 1.0
CAT B:WXP201 3.1 11.8 1.0
CAE B:WXP201 3.1 11.3 1.0
CAJ B:WXP201 3.1 11.1 1.0
CAM B:WXP201 3.2 11.4 1.0
CAA B:WXP201 3.4 10.9 1.0
CAD B:WXP201 3.4 11.5 1.0
CAC B:WXP201 3.5 12.4 1.0
CAB B:WXP201 3.5 12.0 1.0
CE1 B:TYR75 3.7 8.1 1.0
CE2 B:TYR75 3.7 7.9 1.0
ND1 B:HIS83 4.0 9.5 1.0
ND1 B:HIS32 4.1 11.2 1.0
CAQ B:WXP201 4.2 12.8 1.0
CAP B:WXP201 4.2 12.7 1.0
CAU B:WXP201 4.2 11.7 1.0
CAV B:WXP201 4.2 11.5 1.0
CG B:HIS32 4.2 11.2 1.0
CAG B:WXP201 4.2 11.1 1.0
CAF B:WXP201 4.2 11.3 1.0
CAK B:WXP201 4.3 11.3 1.0
CAL B:WXP201 4.3 11.3 1.0
CB B:HIS83 4.7 9.0 1.0
CG B:HIS83 4.8 9.2 1.0
CAY B:WXP201 4.9 12.0 1.0
CBK B:WXP201 4.9 12.9 0.5
CD1 B:TYR75 4.9 8.1 1.0
CAZ B:WXP201 4.9 12.4 1.0
CE1 B:HIS83 4.9 9.6 1.0
CBK B:WXP201 4.9 12.7 0.5
CD2 B:TYR75 4.9 8.0 1.0

Iron binding site 3 out of 4 in 5xic

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Iron binding site 3 out of 4 in the Crystal Structure of Hasap with Fe-5,10,15-Triphenylporphyrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Hasap with Fe-5,10,15-Triphenylporphyrin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:9.4
occ:1.00
FE C:WXP201 0.0 9.4 1.0
NE2 C:HIS32 2.1 10.6 1.0
OH C:TYR75 2.1 7.7 1.0
NAN C:WXP201 2.1 10.9 1.0
NAS C:WXP201 2.2 11.6 1.0
NAX C:WXP201 2.2 11.7 1.0
NAI C:WXP201 2.2 11.0 1.0
CZ C:TYR75 3.0 7.6 1.0
CE1 C:HIS32 3.0 10.8 1.0
CD2 C:HIS32 3.1 10.9 1.0
CAO C:WXP201 3.1 11.2 1.0
CAJ C:WXP201 3.1 10.6 1.0
CAT C:WXP201 3.1 12.1 1.0
CAM C:WXP201 3.1 10.9 1.0
CAW C:WXP201 3.1 11.9 1.0
CAR C:WXP201 3.1 11.6 1.0
CAH C:WXP201 3.1 10.8 1.0
CAE C:WXP201 3.2 11.2 1.0
CAA C:WXP201 3.4 10.6 1.0
CAB C:WXP201 3.4 11.2 1.0
CAC C:WXP201 3.5 12.1 1.0
CAD C:WXP201 3.5 11.7 1.0
CE1 C:TYR75 3.7 7.7 1.0
CE2 C:TYR75 3.8 7.5 1.0
ND1 C:HIS83 4.0 8.9 1.0
ND1 C:HIS32 4.1 11.0 1.0
CAU C:WXP201 4.2 12.4 1.0
CAP C:WXP201 4.2 11.5 1.0
CAQ C:WXP201 4.2 11.7 1.0
CAL C:WXP201 4.2 10.9 1.0
CAK C:WXP201 4.2 10.8 1.0
CG C:HIS32 4.2 10.9 1.0
CAV C:WXP201 4.2 12.3 1.0
CAG C:WXP201 4.2 11.0 1.0
CAF C:WXP201 4.3 11.1 1.0
CB C:HIS83 4.8 8.6 1.0
CG C:HIS83 4.8 8.8 1.0
CAZ C:WXP201 4.8 11.5 1.0
CBK C:WXP201 4.9 12.4 0.5
CE1 C:HIS83 4.9 9.0 1.0
CD1 C:TYR75 4.9 7.7 1.0
CBK C:WXP201 4.9 12.4 0.5
CAY C:WXP201 4.9 12.0 1.0
CD2 C:TYR75 5.0 7.6 1.0

Iron binding site 4 out of 4 in 5xic

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Iron binding site 4 out of 4 in the Crystal Structure of Hasap with Fe-5,10,15-Triphenylporphyrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Hasap with Fe-5,10,15-Triphenylporphyrin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:9.3
occ:1.00
FE D:WXP201 0.0 9.3 1.0
OH D:TYR75 2.1 7.8 1.0
NE2 D:HIS32 2.1 10.1 1.0
NAX D:WXP201 2.1 12.3 1.0
NAN D:WXP201 2.2 10.9 1.0
NAS D:WXP201 2.2 11.8 1.0
NAI D:WXP201 2.2 11.2 1.0
CZ D:TYR75 3.0 7.8 1.0
CE1 D:HIS32 3.0 10.4 1.0
CD2 D:HIS32 3.1 10.5 1.0
CAT D:WXP201 3.1 12.3 1.0
CAJ D:WXP201 3.1 10.8 1.0
CAW D:WXP201 3.1 12.1 1.0
CAO D:WXP201 3.1 11.5 1.0
CAM D:WXP201 3.1 11.1 1.0
CAR D:WXP201 3.1 11.9 1.0
CAH D:WXP201 3.1 11.0 1.0
CAE D:WXP201 3.2 11.3 1.0
CAA D:WXP201 3.4 10.8 1.0
CAB D:WXP201 3.4 11.4 1.0
CAC D:WXP201 3.5 12.4 1.0
CAD D:WXP201 3.5 11.9 1.0
CE1 D:TYR75 3.7 7.8 1.0
CE2 D:TYR75 3.7 7.7 1.0
ND1 D:HIS83 4.1 9.0 1.0
ND1 D:HIS32 4.1 10.5 1.0
CAU D:WXP201 4.2 12.8 1.0
CAV D:WXP201 4.2 12.6 1.0
CG D:HIS32 4.2 10.5 1.0
CAK D:WXP201 4.2 11.0 1.0
CAQ D:WXP201 4.2 11.9 1.0
CAL D:WXP201 4.2 11.1 1.0
CAP D:WXP201 4.2 11.8 1.0
CAG D:WXP201 4.2 11.2 1.0
CAF D:WXP201 4.3 11.3 1.0
CB D:HIS83 4.8 8.7 1.0
CG D:HIS83 4.8 8.8 1.0
CAZ D:WXP201 4.9 11.7 1.0
CD1 D:TYR75 4.9 7.8 1.0
CBK D:WXP201 4.9 12.5 0.5
CAY D:WXP201 4.9 12.4 1.0
CBK D:WXP201 4.9 12.7 0.5
CE1 D:HIS83 4.9 9.1 1.0
CD2 D:TYR75 4.9 7.7 1.0

Reference:

H.Uehara, Y.Shisaka, T.Nishimura, H.Sugimoto, Y.Shiro, Y.Miyake, H.Shinokubo, Y.Watanabe, O.Shoji. Structures of the Heme Acquisition Protein Hasa with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof As An Artificial Prosthetic Group Angew. Chem. Int. Ed. Engl. V. 56 15279 2017.
ISSN: ESSN 1521-3773
PubMed: 28921809
DOI: 10.1002/ANIE.201707212
Page generated: Sun Dec 13 16:17:18 2020

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