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Asym./Biol. Unit - manually (Jmol Viewer)

Asym./Biol. Unit (Jmol Viewer)

Asym./Biol. Unit - sites (Jmol Viewer)

Title :   STRUCTURE OF A H49N MUTANT DTDP-4-KETO-6-DEOXY-D-GLUCOSE-3, 4-KETOISOMERASE FROM ANEURINIBACILLUS THERMOAEROPHILUS IN COMPLEX WITH TDP

Authors :   M. L. Davis, J. B. Thoden, H. M. Holden

Date :   27 Mar 07 (Deposition) - 24 Apr 07 (Release) - 24 Feb 09 (Revision)

Method :   X-RAY DIFFRACTION

Resolution :   2.50

Chains :   Asym./Biol. Unit : A,B

Keywords :   Deoxysugar Biosynthesis, S-Layer Biosynthesis, Ketoisomerase (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )

Reference :   M. L. Davis, J. B. Thoden, H. M. Holden
The X-Ray Structure Of Dtdp-4-Keto-6-Deoxy-D-Glucose-3, 4-Ketoisomerase.
J. Biol. Chem. V. 282 19227 2007
PubMed-ID: 17459872 | Reference-DOI: 10.1074/JBC.M702529200
(for further references see the PDB file header)

Molecule 1 - DTDP-6-DEOXY-3,4-KETO-HEXULOSE ISOMERASE
	Chains	:	A, B
	EC Number	:	5.3.1.-
	Engineered	:	YES
	Expression System	:	ESCHERICHIA COLI
	Expression System Plasmid	:	PET28
	Expression System Strain	:	ROSETTA(DE3)
	Expression System Taxid	:	562
	Expression System Vector Type	:	PLASMID
	Gene	:	FDTA
	Mutation	:	YES
	Organism Scientific	:	ANEURINIBACILLUS THERMOAEROPHILUS
	Organism Taxid	:	143495
	Strain	:	L420-91T

		1	2
Asymmetric/Biological Unit	:	A	B

Summary Information (see also Sequences/Alignments below)

Asymmetric/Biological Unit (1, 2)

No.	Name	Count	Type	Full Name
1	TYD	2	Ligand/Ion	THYMIDINE-5'-DIPHOSPHATE

Asymmetric Unit (2, 2)

No.	Name	Evidence	Residues	Description
1	AC1	SOFTWARE	ARG A:33 , TYR A:114 , TYR A:119 , ARG A:121 , HOH A:167 , HOH A:211 , HOH A:212 , HOH A:226 , ARG B:15 , ALA B:20 , GLN B:122	BINDING SITE FOR RESIDUE TYD A 140
2	AC2	SOFTWARE	ILE A:11 , ARG B:33 , TYR B:114 , ARG B:121 , HOH B:141 , HOH B:164 , HOH B:196	BINDING SITE FOR RESIDUE TYD B 140

(no "SS Bond" information available for 2PAE)

(no "Cis Peptide Bond" information available for 2PAE)

(no "SAP(SNP)/Variant" information available for 2PAE)

(no "PROSITE Motif" information available for 2PAE)

(no "Exon" information available for 2PAE)

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)
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Chain A from PDB  Type:PROTEIN  Length:136
 aligned with FDTA_ANETH | Q6T1W8 from UniProtKB/Swiss-Prot  Length:139

    Alignment length:136
                                    10        20        30        40        50        60        70        80        90       100       110       120       130      
           FDTA_ANETH     1 MENKVINFKKIIDSRGSLVAIEENKNIPFSIKRVYYIFDTKGEEPRGFHAHKKLEQVLVCLNGSCRVILDDGNIIQEITLDSPAVGLYVGPAVWHEMHDFSSDCVMMVLASDYYDETDYIRQYDNFKKYIAKINLE 136
               SCOP domains d2paea1 A:1-136 dTDP-6-deoxy-3,4-keto-hexulose isomerase FdtA                                                                            SCOP domains
               CATH domains ---------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ---------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ....eee..eeee..eeeeeee..........eeeeee.......eeeeee....eeeeeee..eeeeee....eeeeee....eeeee....eeeee......eeeeee....hhh.ee.hhhhhhhhhhhhhhh Sec.struct. author
                 SAPs(SNPs) ---------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ---------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ---------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 2pae A   1 MENKVINFKKIIDSRGSLVAIEENKNIPFSIKRVYYIFDTKGEEPRGFNAHKKLEQVLVCLNGSCRVILDDGNIIQEITLDSPAVGLYVGPAVWHEMHDFSSDCVMMVLASDYYDETDYIRQYDNFKKYIAKINLE 136
                                    10        20        30        40        50        60        70        80        90       100       110       120       130

Chain B from PDB  Type:PROTEIN  Length:134
 aligned with FDTA_ANETH | Q6T1W8 from UniProtKB/Swiss-Prot  Length:139

    Alignment length:134
                                    11        21        31        41        51        61        71        81        91       101       111       121       131    
           FDTA_ANETH     2 ENKVINFKKIIDSRGSLVAIEENKNIPFSIKRVYYIFDTKGEEPRGFHAHKKLEQVLVCLNGSCRVILDDGNIIQEITLDSPAVGLYVGPAVWHEMHDFSSDCVMMVLASDYYDETDYIRQYDNFKKYIAKINL 135
               SCOP domains d2paeb_ B: dTDP-6-deoxy-3,4-keto-hexulose isomerase FdtA                                                                               SCOP domains
               CATH domains -------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains -------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ...eee..eeee..eeeeeee..........eeeeee.......eeeeee....eeeeeee..eeeeee....eeeeee....eeeee....eeeee......eeeeee....hhh.ee.hhhhhhhhhhhhhh Sec.struct. author
                 SAPs(SNPs) -------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE -------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript -------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 2pae B   2 ENKVINFKKIIDSRGSLVAIEENKNIPFSIKRVYYIFDTKGEEPRGFNAHKKLEQVLVCLNGSCRVILDDGNIIQEITLDSPAVGLYVGPAVWHEMHDFSSDCVMMVLASDYYDETDYIRQYDNFKKYIAKINL 135
                                    11        21        31        41        51        61        71        81        91       101       111       121       131

Legend:		→ Mismatch	(orange background)
	-	→ Gap	(green background, '-', border residues have a numbering label)
		→ Modified Residue	(blue background, lower-case, 'x' indicates undefined single-letter code, labelled with number + name)
	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/Biological Unit

Classes(

)

Folds(

)

Superfamilies( (-)

)

Families(

)

Protein Domains( (-)

)

Organisms( (-)

)

Class: All beta proteins (24004)

Fold: Double-stranded beta-helix (580)

Superfamily: RmlC-like cupins (220)

Family: dTDP-sugar isomerase (26)

Protein domain: dTDP-6-deoxy-3,4-keto-hexulose isomerase FdtA (4)

Aneurinibacillus thermoaerophilus [TaxId: 143495] (4)

1a	d2paea1	A:1-136
1b	d2paeb_	B:

(no "CATH Domain" information available for 2PAE)

(no "Pfam Domain" information available for 2PAE)

Asymmetric/Biological Unit(hide GO term definitions)

Chain A,B (FDTA_ANETH | Q6T1W8)

molecular function
	GO:0016853		isomerase activity		Catalysis of the geometric or structural changes within one molecule. Isomerase is the systematic name for any enzyme of EC class 5.

Asymmetric/Biological Unit
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	Cis Peptide Bonds
(no "Cis Peptide Bonds" information available for 2pae)

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Description

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Ligands, Modified Residues, Ions (1, 2)

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