Alignments for a candidate for deoC in Shewanella oneidensis MR-1

GapMind for catabolism of small carbon sources

Alignments for a candidate for deoC in Shewanella oneidensis MR-1

Align deoxyribose-phosphate aldolase (EC 4.1.2.4) (characterized)
to candidate 200395 SO1217 deoxyribose-phosphate aldolase (NCBI ptt file)

Query= BRENDA::P0A6L0
         (259 letters)



>FitnessBrowser__MR1:200395
          Length = 256

 Score =  342 bits (876), Expect = 6e-99
 Identities = 178/252 (70%), Positives = 204/252 (80%), Gaps = 4/252 (1%)

Query: 1   MTDLKASSLRALKLMDLTTLNDDDTDEKVIALCHQAKTPVGNTAAICIYPRFIPIARKTL 60
           MTDLK ++ RA++LMDLTTLNDDDTD+KVI LCH+A TP GNTAAICIYPRFIPIARKTL
Sbjct: 1   MTDLKKAAQRAIELMDLTTLNDDDTDQKVIDLCHKAVTPAGNTAAICIYPRFIPIARKTL 60

Query: 61  KEQGTPEIRIATVTNFPHGNDDIDIALAETRAAIAYGADEVDVVFPYRALMAGNEQVGFD 120
            E G  +I+IATVTNFPHGNDDI IA+ ETRAA+AYGADEVDVVFPYRALM GNE VG++
Sbjct: 61  DELGAEDIQIATVTNFPHGNDDIAIAVLETRAAVAYGADEVDVVFPYRALMEGNETVGYE 120

Query: 121 LVKACKEACAAANVLLKVIIETGELKDEALIRKASEISIKAGADFIKTSTGKVAVNATPE 180
           LVKACKEAC    VLLKVIIE+G L D  LIR+ASE+SI+AGADFIKTSTGKV VNAT E
Sbjct: 121 LVKACKEAC--GEVLLKVIIESGVLADPVLIRRASELSIEAGADFIKTSTGKVPVNATLE 178

Query: 181 SARIMMEVIRDMGVEKTVGFKPAGGVRTAEDAQKYLAIADELFGADWADARHYRFGASSL 240
           +A IM+ VI +   +  VGFKPAGGVR A  A ++L +A+ + GADW   R +RFGASSL
Sbjct: 179 AAEIMLTVISEKNTK--VGFKPAGGVRDAAQAAEFLGVAERILGADWVSPRTFRFGASSL 236

Query: 241 LASLLKALGHGD 252
           L SLL  L   D
Sbjct: 237 LNSLLHTLELAD 248


Lambda     K      H
   0.317    0.133    0.373 

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: 224
Number of extensions: 6
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: 259
Length of database: 256
Length adjustment: 24
Effective length of query: 235
Effective length of database: 232
Effective search space:    54520
Effective search space used:    54520
Neighboring words threshold: 11
Window for multiple hits: 40
X1: 16 ( 7.3 bits)
X2: 38 (14.6 bits)
X3: 64 (24.7 bits)
S1: 41 (21.7 bits)
S2: 47 (22.7 bits)

Align candidate 200395 SO1217 (deoxyribose-phosphate aldolase (NCBI ptt file))
to HMM TIGR00126 (deoC: deoxyribose-phosphate aldolase (EC 4.1.2.4))

# 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/TIGR00126.hmm
# target sequence database:        /tmp/gapView.7147.genome.faa
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -

Query:       TIGR00126  [M=211]
Accession:   TIGR00126
Description: deoC: deoxyribose-phosphate aldolase
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
    ------- ------ -----    ------- ------ -----   ---- --  --------                       -----------
    7.1e-78  246.9   1.8    8.6e-78  246.6   1.8    1.0  1  lcl|FitnessBrowser__MR1:200395  SO1217 deoxyribose-phosphate ald


Domain annotation for each sequence (and alignments):
>> lcl|FitnessBrowser__MR1:200395  SO1217 deoxyribose-phosphate aldolase (NCBI ptt file)
   #    score  bias  c-Evalue  i-Evalue hmmfrom  hmm to    alifrom  ali to    envfrom  env to     acc
 ---   ------ ----- --------- --------- ------- -------    ------- -------    ------- -------    ----
   1 !  246.6   1.8   8.6e-78   8.6e-78       2     206 ..      11     224 ..      10     228 .. 0.97

  Alignments for each domain:
  == domain 1  score: 246.6 bits;  conditional E-value: 8.6e-78
                       TIGR00126   2 lakliDhtalkadtteedietlcaeAkky..kfaavcvnpsyvslAkelLk..gt.eveictvvgFPlGasttevkllE 75 
                                     + +l+D+t+l++d+t+++++ lc++A+++  ++aa+c++p+++++A+++L   g  +++i+tv++FP+G++++ +++lE
  lcl|FitnessBrowser__MR1:200395  11 AIELMDLTTLNDDDTDQKVIDLCHKAVTPagNTAAICIYPRFIPIARKTLDelGAeDIQIATVTNFPHGNDDIAIAVLE 89 
                                     5689*************************99*******************988555*********************** PP

                       TIGR00126  76 akeaieeGAdEvDvviniaalkdkneevviedikavveacakvllKvilEtalLtdeekk.kAseisieagadfvKtst 153
                                     +++a+++GAdEvDvv++++al+++ne v++e +ka++eac++vllKvi+E + L d  ++ +Ase+sieagadf+Ktst
  lcl|FitnessBrowser__MR1:200395  90 TRAAVAYGADEVDVVFPYRALMEGNETVGYELVKACKEACGEVLLKVIIESGVLADPVLIrRASELSIEAGADFIKTST 168
                                     ********************************************************998879***************** PP

                       TIGR00126 154 gfsakgAtvedvrlmkkvvgd...evgvKasGGvrtaedalalieagaerigasaa 206
                                     g++ ++At+e +++m  v+ +   +vg+K++GGvr+a +a +++ +++  +ga++ 
  lcl|FitnessBrowser__MR1:200395 169 GKVPVNATLEAAEIMLTVISEkntKVGFKPAGGVRDAAQAAEFLGVAERILGADWV 224
                                     *******************988889****************************985 PP



Internal pipeline statistics summary:
-------------------------------------
Query model(s):                            1  (211 nodes)
Target sequences:                          1  (256 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: 0.01u 0.01s 00:00:00.02 Elapsed: 00:00:00.00
# Mc/sec: 7.83
//
[ok]

This GapMind analysis is from Sep 17 2021. 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 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