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Title :   DEHALOPEROXIDASE-HEMOGLOBIN T56S

Authors :   S. Franzen, P. D. Swartz

Date :   18 Feb 13 (Deposition) - 27 Nov 13 (Release) - 27 Nov 13 (Revision)

Method :   X-RAY DIFFRACTION

Resolution :   1.93

Chains :   Asym. Unit : A,B
Biol. Unit 1: A  (1x)
Biol. Unit 2: B  (1x)

Keywords :   Peroxidase, Oxidoreductase (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )

Reference :   S. Jiang, I. Wright, P. Swartz, S. Franzen
The Role Of T56 In Controlling The Flexibility Of The Dista Histidine In Dehaloperoxidase-Hemoglobin From Amphitrite Ornata.
Biochim. Biophys. Acta V. 1834 2020 2013
PubMed-ID: 23792762 | Reference-DOI: 10.1016/J.BBAPAP.2013.06.005

Molecule 1 - DEHALOPEROXIDASE A
	Chains	:	A, B
	Engineered	:	YES
	Expression System	:	ESCHERICHIA COLI
	Expression System Taxid	:	562
	Mutation	:	YES
	Organism Scientific	:	AMPHITRITE ORNATA
	Organism Taxid	:	129555
	Strain	:	AMPHITRITE ORNATA

		1	2
Asymmetric Unit	:	A	B
Biological Unit 1 (1x)	:	A
Biological Unit 2 (1x)	:		B

Summary Information (see also Sequences/Alignments below)

Asymmetric Unit (3, 8)

No.	Name	Count	Type	Full Name
1	AZI	4	Ligand/Ion	AZIDE ION
2	HEM	2	Ligand/Ion	PROTOPORPHYRIN IX CONTAINING FE
3	SO4	2	Ligand/Ion	SULFATE ION

Biological Unit 1 (3, 5)

No.	Name	Count	Type	Full Name
1	AZI	2	Ligand/Ion	AZIDE ION
2	HEM	1	Ligand/Ion	PROTOPORPHYRIN IX CONTAINING FE
3	SO4	2	Ligand/Ion	SULFATE ION

Biological Unit 2 (2, 3)

No.	Name	Count	Type	Full Name
1	AZI	2	Ligand/Ion	AZIDE ION
2	HEM	1	Ligand/Ion	PROTOPORPHYRIN IX CONTAINING FE
3	SO4	-1	Ligand/Ion	SULFATE ION

Asymmetric Unit (8, 8)

No.	Name	Evidence	Residues	Description
1	AC1	SOFTWARE	GLU A:31 , TYR A:34 , PHE A:35 , LYS A:58 , VAL A:59 , MET A:86 , GLN A:88 , HIS A:89 , LEU A:92 , ASN A:96 , PHE A:97 , AZI A:205 , HOH A:399 , HOH A:400	BINDING SITE FOR RESIDUE HEM A 201
2	AC2	SOFTWARE	GLY A:1 , PHE A:2 , LYS A:3 , ASP A:116 , HOH A:327 , HOH A:364 , HOH A:384 , HOH A:395 , ARG B:32 , GLY B:40	BINDING SITE FOR RESIDUE SO4 A 202
3	AC3	SOFTWARE	ARG A:32 , VAL A:39 , GLY A:40 , HOH A:376 , GLY B:1 , PHE B:2 , LYS B:3 , HOH B:320 , HOH B:368	BINDING SITE FOR RESIDUE SO4 A 203
4	AC4	SOFTWARE	LYS A:47 , ASN A:81 , THR A:82	BINDING SITE FOR RESIDUE AZI A 204
5	AC5	SOFTWARE	PHE A:21 , PHE A:35 , HIS A:55 , VAL A:59 , HEM A:201	BINDING SITE FOR RESIDUE AZI A 205
6	AC6	SOFTWARE	GLU B:31 , TYR B:34 , PHE B:35 , LYS B:58 , VAL B:59 , LEU B:83 , MET B:86 , GLN B:88 , HIS B:89 , LEU B:92 , ASN B:96 , PHE B:97 , LEU B:100 , AZI B:202 , HOH B:366	BINDING SITE FOR RESIDUE HEM B 201
7	AC7	SOFTWARE	PHE B:21 , HIS B:55 , VAL B:59 , HEM B:201	BINDING SITE FOR RESIDUE AZI B 202
8	AC8	SOFTWARE	ASN A:26 , GLY B:1 , ASP B:5 , ASP B:116 , HOH B:311 , HOH B:421	BINDING SITE FOR RESIDUE AZI B 203

(no "SS Bond" information available for 4JAC)

(no "Cis Peptide Bond" information available for 4JAC)

(no "SAP(SNP)/Variant" information available for 4JAC)

(no "PROSITE Motif" information available for 4JAC)

(no "Exon" information available for 4JAC)

Asymmetric Unit

Reformat:	Number of residues per line = ('0' or empty: single-line sequence representation)
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	UniProt sequence: complete aligned part

Show mapping:	SCOP domains	CATH domains	Pfam domains	Secondary structure (by author)
	SAPs(SNPs)	PROSITE motifs	Exons
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Chain A from PDB  Type:PROTEIN  Length:137
                                                                                                                                                                         
               SCOP domains d4jaca_ A: automated matches                                                                                                              SCOP domains
               CATH domains ----------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh......hhhhhhh..hhhhhhhhhhhhhhhhhhhh.....hhhhhhhhhhhhhhh..hhhhhhhhhhhhhhhhhhh....hhhhhhhhhhhhhhhhhhh... Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4jac A   1 GFKQDIATIRGDLRTYAQDIFLAFLNKYPDERRYFKNYVGKSDQELKSMAKFGDHSEKVFNLMMEVADRATDCVPLASDANTLVQMKQHSSLTTGNFEKLFVALVEYMRASGQSFDSQSWDRFGKNLVSALSSAGMK 137
                                    10        20        30        40        50        60        70        80        90       100       110       120       130

Chain B from PDB  Type:PROTEIN  Length:137
                                                                                                                                                                         
               SCOP domains d4jacb_ B: automated matches                                                                                                              SCOP domains
               CATH domains ----------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh......hhhhhh.hhhhhhhhhhhhhhhhhhhhhh.....hhhhhhhhhhhhhhh..hhhhhhhhhhhhhhhhhhh....hhhhhhhhhhhhhhhhhhh... Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4jac B   1 GFKQDIATIRGDLRTYAQDIFLAFLNKYPDERRYFKNYVGKSDQELKSMAKFGDHSEKVFNLMMEVADRATDCVPLASDANTLVQMKQHSSLTTGNFEKLFVALVEYMRASGQSFDSQSWDRFGKNLVSALSSAGMK 137
                                    10        20        30        40        50        60        70        80        90       100       110       120       130

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	x	→ Chemical Group	(purple background, 'x', labelled with number + name, e.g. ACE or NH2)
	extra numbering lines below/above indicate numbering irregularities and modified residue names etc., number ends below/above '\|'

Asymmetric Unit

Classes(

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Folds(

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Superfamilies( (-)

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Families(

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Protein Domains( (-)

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Organisms( (-)

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Class: All alpha proteins (14657)

Fold: Globin-like (1351)

Superfamily: Globin-like (1308)

Family: Globins (1157)

Protein domain: automated matches (99)

Amphitrite ornata [TaxId: 129555] (3)

1a	d4jaca_	A:
1b	d4jacb_	B:

(no "CATH Domain" information available for 4JAC)

(no "Pfam Domain" information available for 4JAC)

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Description

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