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(-) Description

Title :  CRYSTAL STRUCTURE OF BOVINE LACTOPEROXIDASE WITH A BROKEN COVALENT BOND BETWEEN GLU258 AND HEME MOIETY AT 1.98 A RESOLUTION.
 
Authors :  P. K. Singh, H. V. Sirohi, P. Kaur, S. Sharma, T. P. Singh
Date :  03 Jun 16  (Deposition) - 13 Jul 16  (Release) - 25 Jan 17  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.98
Chains :  Asym./Biol. Unit :  A
Keywords :  Oxidoreductase (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  P. K. Singh, H. V. Sirohi, N. Iqbal, P. Tiwari, P. Kaur, S. Sharma, T. P. Singh
Structure Of Bovine Lactoperoxidase With A Partially Linked Heme Moiety At 1. 98 Angstrom Resolution
Biochim. Biophys. Acta V. 1865 329 2016
PubMed-ID: 27986533  |  Reference-DOI: 10.1016/J.BBAPAP.2016.12.006

(-) Compounds

Molecule 1 - LACTOPEROXIDASE
    Chains: A
    EC Number: 1.11.1.7
    Engineered: YES
    Expression System: BOS TAURUS
    Expression System Taxid: 9913
    Fragment: UNP RESIDUES 118-712
    Gene: LPO
    Mutation: YES
    Organism Common: BOVINE
    Organism Scientific: BOS TAURUS
    Organism Taxid: 9913
    Synonym: LPO

 Structural Features

(-) Chains, Units

  1
Asymmetric/Biological Unit : A

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (8, 21)

Asymmetric/Biological Unit (8, 21)
No.NameCountTypeFull Name
1CA1Ligand/IonCALCIUM ION
2HEM1Ligand/IonPROTOPORPHYRIN IX CONTAINING FE
3IOD9Ligand/IonIODIDE ION
4NAG5Ligand/IonN-ACETYL-D-GLUCOSAMINE
5OSM1Ligand/Ion1-(OXIDOSULFANYL)METHANAMINE
6PGE2Ligand/IonTRIETHYLENE GLYCOL
7SEP1Mod. Amino AcidPHOSPHOSERINE
8SO41Ligand/IonSULFATE ION

(-) Sites  (18, 18)

Asymmetric Unit (18, 18)
No.NameEvidenceResiduesDescription
01AC1SOFTWAREASN A:95 , ARG A:96 , ARG A:506 , NAG A:808 , HOH A:1050binding site for residue SO4 A 801
02AC2SOFTWAREILE A:24 , THR A:25 , PGE A:806binding site for residue OSM A 802
03AC3SOFTWARETRP A:46 , VAL A:342binding site for residue IOD A 803
04AC4SOFTWAREARG A:453 , IOD A:805binding site for residue IOD A 804
05AC5SOFTWARESER A:459 , IOD A:804binding site for residue IOD A 805
06AC6SOFTWAREPRO A:197 , SER A:201 , LYS A:472 , PRO A:500 , MET A:501 , OSM A:802 , HOH A:993binding site for residue PGE A 806
07AC7SOFTWARESER A:459 , GLN A:460 , VAL A:470binding site for residue PGE A 807
08AC8SOFTWAREASP A:110 , THR A:184 , PHE A:186 , ASP A:188 , SER A:190binding site for residue CA A 813
09AC9SOFTWAREASN A:80binding site for residue IOD A 814
10AD1SOFTWAREARG A:397binding site for residue IOD A 816
11AD2SOFTWARELYS A:462 , THR A:463binding site for residue IOD A 817
12AD3SOFTWARESER A:359binding site for residue IOD A 818
13AD4SOFTWAREGLU A:196 , SEP A:198 , GLN A:468binding site for residue IOD A 819
14AD5SOFTWAREMET A:101 , GLY A:104 , GLN A:105 , ASP A:108 , ASP A:112 , ALA A:114 , GLU A:258 , GLN A:259 , THR A:344 , PHE A:347 , ARG A:348 , GLY A:350 , HIS A:351 , PHE A:380 , ILE A:436 , ARG A:440 , HOH A:909 , HOH A:922 , HOH A:948 , HOH A:952binding site for residue HEM A 820
15AD6SOFTWAREASN A:95 , ARG A:96 , PRO A:209 , ILE A:315 , SO4 A:801binding site for Mono-Saccharide NAG A 808 bound to ASN A 95
16AD7SOFTWAREASN A:205 , SER A:208 , ALA A:214 , VAL A:215 , GLN A:217 , HOH A:994 , HOH A:996 , HOH A:1091binding site for Mono-Saccharide NAG A 809 bound to ASN A 205
17AD8SOFTWAREASN A:241 , ALA A:244 , TRP A:384 , LYS A:388 , HOH A:968binding site for Poly-Saccharide residues NAG A 810 through NAG A 811 bound to ASN A 241
18AD9SOFTWAREASN A:332 , HOH A:928binding site for Mono-Saccharide NAG A 812 bound to ASN A 332

(-) SS Bonds  (7, 7)

Asymmetric/Biological Unit
No.Residues
1A:6 -A:167
2A:15 -A:28
3A:129 -A:139
4A:133 -A:157
5A:237 -A:248
6A:456 -A:513
7A:554 -A:579

(-) Cis Peptide Bonds  (4, 4)

Asymmetric/Biological Unit
No.Residues
1Cys A:6 -Gly A:7
2Tyr A:172 -Gln A:173
3Lys A:233 -Pro A:234
4Tyr A:572 -Pro A:573

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 5B72)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 5B72)

(-) Exons   (0, 0)

(no "Exon" information available for 5B72)

(-) Sequences/Alignments

Asymmetric/Biological Unit
   Reformat: Number of residues per line =  ('0' or empty: single-line sequence representation)
  Number of residues per labelling interval =   
  UniProt sequence: complete  aligned part    
   Show mapping: SCOP domains CATH domains Pfam domains Secondary structure (by author)
SAPs(SNPs) PROSITE motifs Exons
(details for a mapped element are shown in a popup box when the mouse pointer rests over it) 
Chain A from PDB  Type:PROTEIN  Length:595
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                   
               SCOP domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ........................................ee...............................hhhhhhhhhh........eeeeeehhhhhhhhhhhhhhh...........hhhhhhhhhh........ee....hhhhhh...ee.....................ee.......hhhhhh.hhhhhhhhh..............................hhhhhhh.................hhhhhhhhhhhhhhhhhhhhhhhhhh...hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh.hhhhhh..............hhhhhhhhhhhhhhh..eee.............eee.hhhh..hhhhhh...hhhhhhhhhhheee........hhhhhh............hhhhhhhhhhhhh...hhhhhhhhh......hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh........hhhhhhhhhhhhhhhhhh...........hhhhhhhhh..hhhhhhhhhh...eee............eee.hhh....hhhhh.... Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5b72 A   1 SWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSNKIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPFFRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPsLASRLRNLSSPLGLMAVNQEASDHGLAYLPFNNKKPSPCEFINTTARVPCFLAGDSRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIVLGSEMQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLVRGLLAKKSKLMNQKKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKILAKKLMDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKMSFSRLICDNTHITKVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN 595
                                    10        20        30        40        50        60        70        80        90       100       110       120       130       140       150       160       170       180       190       200       210       220       230       240       250       260       270       280       290       300       310       320       330       340       350       360       370       380       390       400       410       420       430       440       450       460       470       480       490       500       510       520       530       540       550       560       570       580       590     
                                                                                                                                                                                                                               198-SEP
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  extra numbering lines below/above indicate numbering irregularities and modified residue names etc., number ends below/above '|'

 Classification and Annotation

(-) SCOP Domains  (0, 0)

(no "SCOP Domain" information available for 5B72)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 5B72)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 5B72)

(-) Gene Ontology  (19, 19)

Asymmetric/Biological Unit(hide GO term definitions)

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  5b72
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  PERL_BOVIN | P80025
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  1.11.1.7
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 Related Entries

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UniProtKB/Swiss-Prot
        PERL_BOVIN | P80025: 2gj1 2ips 2nqx 2pt3 2pum 2qpk 2qqt 2qrb 3bxi 3eri 3gc1 3gcj 3gck 3gcl 3i6n 3krq 3nyh 3ogw 3py4 3q9k 3ql6 3r4x 3r5o 3s4f 3tgy 3tuw 3uba 3v6q 4gm7 4gn6 4ksz 4njb 4nt3 4pnx 5gh0 5gls 5wv3

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