Alignments for a candidate for aroB in Desulfuromonas acetexigens

GapMind for Amino acid biosynthesis

Alignments for a candidate for aroB in Desulfuromonas acetexigens

Align 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 (characterized)
to candidate WP_092053351.1 BQ4888_RS02750 3-dehydroquinate synthase

Query= SwissProt::Q8RU74
         (442 letters)



>NCBI__GCF_900111775.1:WP_092053351.1
          Length = 361

 Score =  338 bits (867), Expect = 2e-97
 Identities = 181/340 (53%), Positives = 234/340 (68%), Gaps = 5/340 (1%)

Query: 83  VDLGTRSYPIYIGAGLLDQ-PDLLQRHIHGKRVLVVTNTTVAPLYLDKTISALTDGNPNV 141
           V LG RSYPI+IG G+LD+  + L      +RV VVTN TV   Y ++ +  L  G    
Sbjct: 6   VGLGERSYPIWIGEGILDRLAEALDAVAFPRRVAVVTNPTVFGHYGERVLRLLEGGGYRP 65

Query: 142 TVESVILPDGEQFKNMETLMKVFDKAIESRLDRRCTFVALGGGVIGDMCGYAAASYLRGV 201
           TV  + LPDGEQ+K ++ L K++D  +    DR    +ALGGGVIGDM G+AAA+Y+RG+
Sbjct: 66  TV--IELPDGEQYKTLQYLEKIYDSLLTGGFDRHSGLLALGGGVIGDMTGFAAATYVRGI 123

Query: 202 NFIQIPTTVMAQVDSSVGGKTGINHPLGKNMIGAFYQPQCVLIDTDTLNTLPDRELASGL 261
            F QIPTT+++QVDSSVGGKT +NHPLGKNMIGAFYQP+ V ID  TL TLP RE A+G+
Sbjct: 124 PFAQIPTTLLSQVDSSVGGKTAVNHPLGKNMIGAFYQPRHVHIDVATLKTLPAREFAAGM 183

Query: 262 AEVIKYGLIRDAEFFEWQEQNMPLLLARDPTAFTYAIKRSCENKADVVSQDEKESGVRAT 321
           AEVIKYG+IRD EFF W  ++   LL   P A  YA+K SC+ KADVV +DEKES VRA 
Sbjct: 184 AEVIKYGVIRDREFFAWLAKHRTELLELRPDALIYAVKSSCQIKADVVEEDEKESSVRAI 243

Query: 322 LNLGHTFGHAVETGVGYGQWLHGEAVAAGTVMAVDMSRRLGWIDDSLVQRVQKILQQAKL 381
           LN GHTFGHAVET  GYG + HGEAVA G  +A ++SR LG+  ++ V +++ ++    L
Sbjct: 244 LNFGHTFGHAVETLSGYGAYSHGEAVAIGMGVAAELSRLLGFGSEADVDQIRSLMSGFDL 303

Query: 382 PTSPPETMTVEMFKSIMAVDKKVADGKLRLILLKGSLGNC 421
           P  PP   +++ + + M  DKKV DGKLR +L  G +G+C
Sbjct: 304 PLDPP-AHSLDAYLAAMGRDKKVHDGKLRFVLNHG-IGDC 341


Lambda     K      H
   0.318    0.133    0.385 

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: 403
Number of extensions: 14
Number of successful extensions: 4
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: 442
Length of database: 361
Length adjustment: 31
Effective length of query: 411
Effective length of database: 330
Effective search space:   135630
Effective search space used:   135630
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: 50 (23.9 bits)

Align candidate WP_092053351.1 BQ4888_RS02750 (3-dehydroquinate synthase)
to HMM TIGR01357 (aroB: 3-dehydroquinate synthase (EC 4.2.3.4))

# 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.aa/TIGR01357.hmm
# target sequence database:        /tmp/gapView.1684.genome.faa
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -

Query:       TIGR01357  [M=344]
Accession:   TIGR01357
Description: aroB: 3-dehydroquinate synthase
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
    ------- ------ -----    ------- ------ -----   ---- --  --------                                 -----------
   1.5e-121  391.8   0.0   1.8e-121  391.5   0.0    1.0  1  lcl|NCBI__GCF_900111775.1:WP_092053351.1  BQ4888_RS02750 3-dehydroquinate 


Domain annotation for each sequence (and alignments):
>> lcl|NCBI__GCF_900111775.1:WP_092053351.1  BQ4888_RS02750 3-dehydroquinate synthase
   #    score  bias  c-Evalue  i-Evalue hmmfrom  hmm to    alifrom  ali to    envfrom  env to     acc
 ---   ------ ----- --------- --------- ------- -------    ------- -------    ------- -------    ----
   1 !  391.5   0.0  1.8e-121  1.8e-121       1     335 [.      13     347 ..      13     356 .. 0.97

  Alignments for each domain:
  == domain 1  score: 391.5 bits;  conditional E-value: 1.8e-121
                                 TIGR01357   1 ykvkvgegllkklveelae..kasklvvitdeeveklvaekleealkslgvevlvlvvpdgeesKslet 67 
                                               y++ +geg+l++l+e+l+   + +++ v+t+ +v  +++e+++++l+  g++ +v+ +pdge++K+l+ 
  lcl|NCBI__GCF_900111775.1:WP_092053351.1  13 YPIWIGEGILDRLAEALDAvaFPRRVAVVTNPTVFGHYGERVLRLLEGGGYRPTVIELPDGEQYKTLQY 81 
                                               6799**************96555********************************************** PP

                                 TIGR01357  68 vaklldqlleeklerksvlvaiGGGvvgDlaGFvAatylRGirlvqvPTtllamvDssvGGKtginlpl 136
                                               ++k++d ll+ +++r+s l+a+GGGv+gD++GF+Aaty+RGi++ q+PTtll++vDssvGGKt++n+pl
  lcl|NCBI__GCF_900111775.1:WP_092053351.1  82 LEKIYDSLLTGGFDRHSGLLALGGGVIGDMTGFAAATYVRGIPFAQIPTTLLSQVDSSVGGKTAVNHPL 150
                                               ********************************************************************* PP

                                 TIGR01357 137 gkNliGafyqPkaVlidlkvletlperelreGmaEviKhgliadaelfeelekneklllklaelealee 205
                                               gkN+iGafyqP+ V id+++l+tlp re+++GmaEviK+g+i d+e+f++l k+  +ll+l   +al  
  lcl|NCBI__GCF_900111775.1:WP_092053351.1 151 GKNMIGAFYQPRHVHIDVATLKTLPAREFAAGMAEVIKYGVIRDREFFAWLAKHRTELLELRP-DALIY 218
                                               ********************************************************9998755.***** PP

                                 TIGR01357 206 likrsievKaevVeeDekesglRalLNfGHtlgHaiEallkyk.lsHGeaVaiGmvveaklseklgllk 273
                                               ++k+s+++Ka+vVeeDekes++Ra+LNfGHt+gHa+E+l++y+ +sHGeaVaiGm v+a+ls+ lg+ +
  lcl|NCBI__GCF_900111775.1:WP_092053351.1 219 AVKSSCQIKADVVEEDEKESSVRAILNFGHTFGHAVETLSGYGaYSHGEAVAIGMGVAAELSRLLGFGS 287
                                               ********************************************************************* PP

                                 TIGR01357 274 aellerlvallkklglptklkkklsveellkallkDKKnegskiklvlleeiGkaalasevt 335
                                               + +++++++l++ + lp + +  +s++++l+a+ +DKK +++k+++vl + iG++ l+ ++ 
  lcl|NCBI__GCF_900111775.1:WP_092053351.1 288 EADVDQIRSLMSGFDLPLDPPA-HSLDAYLAAMGRDKKVHDGKLRFVLNHGIGDCGLH-DIA 347
                                               *********************7.********************************998.544 PP



Internal pipeline statistics summary:
-------------------------------------
Query model(s):                            1  (344 nodes)
Target sequences:                          1  (361 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: 00:00:00.01
# Mc/sec: 7.80
//
[ok]

This GapMind analysis is from Apr 10 2024. The underlying query database was built on Apr 09 2024.

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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
changes to Amino acid biosynthesis since the publication.

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 Amino acid biosynthesis