Alignments for a candidate for ech in Xanthobacter autotrophicus Py2

GapMind for catabolism of small carbon sources

Alignments for a candidate for ech in Xanthobacter autotrophicus Py2

Align Probable enoyl-CoA hydratase; EC 4.2.1.17 (uncharacterized)
to candidate WP_049776088.1 XAUT_RS04520 2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA isomerase

Query= curated2:P24162
         (257 letters)



>NCBI__GCF_000017645.1:WP_049776088.1
          Length = 258

 Score =  234 bits (598), Expect = 1e-66
 Identities = 128/249 (51%), Positives = 168/249 (67%), Gaps = 3/249 (1%)

Query: 12  EGLAVITLDRPEVMNALNAAMRHELTAALHRARGEA-RAIVLTGSGRAFCSGQDLGDGA- 69
           EG   +TL+RP+ +NA    +   L AAL  A  +A RA++LTG+GR FC+GQDLGD A 
Sbjct: 8   EGWVELTLNRPDRLNAFTEELHRSLAAALDAAADDACRAVLLTGAGRGFCAGQDLGDRAK 67

Query: 70  AEG-LNLETVLREEYEPLLQAIYSCPLPVLAAVNGAAAGAGANLALAADVVIAAQSAAFM 128
           AEG L+L   +   Y PL++ I +   PV+ AVNG AAGAGAN+A A D+V+AA+SA F+
Sbjct: 68  AEGPLDLGATIEAFYNPLIRRIRALRKPVVCAVNGVAAGAGANIAFACDIVLAARSAKFI 127

Query: 129 QAFTRIGLMPDAGGTWWLPRQVGMARAMGMALFAEKIGAEEAARMGLIWEAVPDVDFEHH 188
           QAF +IGL+PD+GGT++LPR +G ARA  + L AE + AE+A   GLIW+AV D      
Sbjct: 128 QAFAKIGLVPDSGGTFFLPRLIGDARARALMLLAEPVSAEKAESWGLIWKAVDDAALMDE 187

Query: 189 WRARAAHLARGPSAAFAAVKKAFHAGLSNPLPAQLALEARLQGELGQSADFREGVQAFLE 248
            RA A+HLA  P+   A  K+A +A   N L AQL LE  LQ E G++ D+REGV AF+E
Sbjct: 188 ARALASHLASQPTQGLALTKQALNASAGNALDAQLDLERDLQREAGRTPDYREGVSAFME 247

Query: 249 KRPPHFTGR 257
           KRP  F+GR
Sbjct: 248 KRPARFSGR 256


Lambda     K      H
   0.321    0.133    0.397 

Gapped
Lambda     K      H
   0.267   0.0410    0.140 


Matrix: BLOSUM62
Gap Penalties: Existence: 11, Extension: 1
Number of Sequences: 1
Number of Hits to DB: 180
Number of extensions: 8
Number of successful extensions: 3
Number of sequences better than 1.0e-02: 1
Number of HSP's gapped: 1
Number of HSP's successfully gapped: 1
Length of query: 257
Length of database: 258
Length adjustment: 24
Effective length of query: 233
Effective length of database: 234
Effective search space:    54522
Effective search space used:    54522
Neighboring words threshold: 11
Window for multiple hits: 40
X1: 16 ( 7.4 bits)
X2: 38 (14.6 bits)
X3: 64 (24.7 bits)
S1: 41 (21.9 bits)
S2: 47 (22.7 bits)

Align candidate WP_049776088.1 XAUT_RS04520 (2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA isomerase)
to HMM TIGR02280 (paaB: phenylacetate degradation probable enoyl-CoA hydratase PaaB (EC 4.2.1.17))

# hmmsearch :: search profile(s) against a sequence database
# HMMER 3.3.1 (Jul 2020); http://hmmer.org/
# Copyright (C) 2020 Howard Hughes Medical Institute.
# Freely distributed under the BSD open source license.
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
# query HMM file:                  ../tmp/path.carbon/TIGR02280.hmm
# target sequence database:        /tmp/gapView.1986881.genome.faa
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -

Query:       TIGR02280  [M=256]
Accession:   TIGR02280
Description: PaaB1: phenylacetate degradation probable enoyl-CoA hydratase PaaB
Scores for complete sequences (score includes all domains):
   --- full sequence ---   --- best 1 domain ---    -#dom-
    E-value  score  bias    E-value  score  bias    exp  N  Sequence                             Description
    ------- ------ -----    ------- ------ -----   ---- --  --------                             -----------
     5e-127  408.7   5.7   5.8e-127  408.5   5.7    1.0  1  NCBI__GCF_000017645.1:WP_049776088.1  


Domain annotation for each sequence (and alignments):
>> NCBI__GCF_000017645.1:WP_049776088.1  
   #    score  bias  c-Evalue  i-Evalue hmmfrom  hmm to    alifrom  ali to    envfrom  env to     acc
 ---   ------ ----- --------- --------- ------- -------    ------- -------    ------- -------    ----
   1 !  408.5   5.7  5.8e-127  5.8e-127       2     256 .]       3     256 ..       2     256 .. 0.98

  Alignments for each domain:
  == domain 1  score: 408.5 bits;  conditional E-value: 5.8e-127
                             TIGR02280   2 llelekgvlrltlnrpdklnsfteemhaelaealerverddvrallltGaGrGfcaGqdlsernvtkgaapdl 74 
                                           l++ ++g + ltlnrpd+ln+ftee+h+ la+al+ +  d  ra+lltGaGrGfcaGqdl++r   ++++ dl
  NCBI__GCF_000017645.1:WP_049776088.1   3 LVAQHEGWVELTLNRPDRLNAFTEELHRSLAAALDAAADDACRAVLLTGAGRGFCAGQDLGDRAK-AEGPLDL 74 
                                           7788999*******************************************************975.56788** PP

                             TIGR02280  75 GetvekfynplvrrlaalpkpvvvavnGvaaGaGanlalagdivlaaesakfiqafaklGlipdsGGtwllpr 147
                                           G t+e fynpl+rr++al kpvv+avnGvaaGaGan+a+a+divlaa+sakfiqafak+Gl+pdsGGt++lpr
  NCBI__GCF_000017645.1:WP_049776088.1  75 GATIEAFYNPLIRRIRALRKPVVCAVNGVAAGAGANIAFACDIVLAARSAKFIQAFAKIGLVPDSGGTFFLPR 147
                                           ************************************************************************* PP

                             TIGR02280 148 lvGrarakglallgekldaetaaewGliwqvvddealadevqalaahlakqptrglalikralqaaetnsldt 220
                                           l+G ara++l ll+e+++ae+a++wGliw++vdd+al+de+ ala+hla+qpt+glal+k+al+a+++n+ld+
  NCBI__GCF_000017645.1:WP_049776088.1 148 LIGDARARALMLLAEPVSAEKAESWGLIWKAVDDAALMDEARALASHLASQPTQGLALTKQALNASAGNALDA 220
                                           ************************************************************************* PP

                             TIGR02280 221 qldlerdlqrelGrsadyaeGvaafldkrepefkGk 256
                                           qldlerdlqre+Gr+ dy+eGv+af++kr ++f G+
  NCBI__GCF_000017645.1:WP_049776088.1 221 QLDLERDLQREAGRTPDYREGVSAFMEKRPARFSGR 256
                                           *********************************996 PP



Internal pipeline statistics summary:
-------------------------------------
Query model(s):                            1  (256 nodes)
Target sequences:                          1  (258 residues searched)
Passed MSV filter:                         1  (1); expected 0.0 (0.02)
Passed bias filter:                        1  (1); expected 0.0 (0.02)
Passed Vit filter:                         1  (1); expected 0.0 (0.001)
Passed Fwd filter:                         1  (1); expected 0.0 (1e-05)
Initial search space (Z):                  1  [actual number of targets]
Domain search space  (domZ):               1  [number of targets reported over threshold]
# CPU time: 0.00u 0.00s 00:00:00.00 Elapsed: 00:00:00.00
# Mc/sec: 20.14
//
[ok]

This GapMind analysis is from Apr 09 2024. The underlying query database was built on Sep 17 2021.

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About GapMind

Each pathway is defined by a set of rules based on individual steps or genes. Candidates for each step are identified by using ublast (a fast alternative to protein BLAST) against a database of manually-curated proteins (most of which are experimentally characterized) or by using HMMer with enzyme models (usually from TIGRFam). Ublast hits may be split across two different proteins.

A candidate for a step is "high confidence" if either:

ublast finds a hit to a characterized protein at above 40% identity and 80% coverage, and bits >= other bits+10.
- (Hits to curated proteins without experimental data as to their function are never considered high confidence.)
HMMer finds a hit with 80% coverage of the model, and either other identity < 40 or other coverage < 0.75.

where "other" refers to the best ublast hit to a sequence that is not annotated as performing this step (and is not "ignored").

Otherwise, a candidate is "medium confidence" if either:

ublast finds a hit at above 40% identity and 70% coverage (ignoring otherBits).
ublast finds a hit at above 30% identity and 80% coverage, and bits >= other bits.
HMMer finds a hit (regardless of coverage or other bits).

Other blast hits with at least 50% coverage are "low confidence."

Steps with no high- or medium-confidence candidates may be considered "gaps." For the typical bacterium that can make all 20 amino acids, there are 1-2 gaps in amino acid biosynthesis pathways. For diverse bacteria and archaea that can utilize a carbon source, there is a complete high-confidence catabolic pathway (including a transporter) just 38% of the time, and there is a complete medium-confidence pathway 63% of the time. Gaps may be due to:

our ignorance of proteins' functions,
omissions in the gene models,
frame-shift errors in the genome sequence, or
the organism lacks the pathway.

GapMind relies on the predicted proteins in the genome and does not search the six-frame translation. In most cases, you can search the six-frame translation by clicking on links to Curated BLAST for each step definition (in the per-step page).

For more information, see:

the paper from 2019 on GapMind for amino acid biosynthesis
the 2024 update on GapMind for amino acid biosynthesis
the paper from 2022 on GapMind for carbon sources
the source code
instructions for running GapMind on your computer

If you notice any errors or omissions in the step descriptions, or any questionable results, please let us know

by Morgan Price, Arkin group, Lawrence Berkeley National Laboratory

GapMind for catabolism of small carbon sources