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PDBsum entry 1lyc

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Oxidoreductase PDB id
1lyc
Contents
Protein chains
336 a.a. *
Ligands
HEM ×2
Metals
_CA ×4
Waters ×337
* Residue conservation analysis

References listed in PDB file
Key reference
Title Impact of the physical and chemical environment on the molecular structure of coprinus cinereus peroxidase.
Authors K.Houborg, P.Harris, J.Petersen, P.Rowland, J.C.Poulsen, P.Schneider, J.Vind, S.Larsen.
Ref. Acta Crystallogr D Biol Crystallogr, 2003, 59, 989-996. [DOI no: 10.1107/S0907444903006772]
PubMed id 12777760
Abstract
The structure of the peroxidase from Coprinus cinereus (CiP) has been determined in three different space groups and crystalline environments. Two of these are of the recombinant glycosylated form (rCiP), which crystallized in space groups P2(1)2(1)2(1) and C2. The third crystal form was obtained from a variant of CiP in which the glycosylation sites have been removed (rCiPON). It crystallizes in space group P2(1) with beta approximately 90 degrees; the structure was determined from room-temperature data and low-temperature data obtained from twinned crystals. Two independent molecules of CiP related by non-crystallographic symmetry are contained in the three crystal forms. The packing in the two structures of the glycosylated form of rCiP is closely related, but differs from the packing in the unglycosylated rCiPON. A database search based on small-molecule porphinato iron (III) complexes has been performed and related to observations of the spin states and coordination numbers of the iron ion. The room-temperature structures of CiP and one structure of the almost identical peroxidase from Arthromyces ramosus (ARP) have been used to identify 66 conserved water molecules and to assign a structural role to most of them.
Figure 5.
Figure 5 A structural representation of CiPON-RT with the conserved water molecules in red (1028, 1027, 1009, 1023, 1034), pink (1001, 1006, 1025, 1017), orange (1011, 1029, 1066, 1056) and blue, the two calcium ions in green and the haem group in black. The figure was prepared using the program MOLSCRIPT (Kraulis, 1991[Kraulis, P. J. (1991). J. Appl. Cryst. 24, 946-950.]).
Figure 6.
Figure 6 The water molecules found in the region around the haem group in the CiP and ARP structures. The figure was prepared using the program MOLSCRIPT (Kraulis, 1991[Kraulis, P. J. (1991). J. Appl. Cryst. 24, 946-950.]).
The above figures are reprinted by permission from the IUCr: Acta Crystallogr D Biol Crystallogr (2003, 59, 989-996) copyright 2003.
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