Alignments for a candidate for leuA in Thermithiobacillus tepidarius DSM 3134

GapMind for Amino acid biosynthesis

Alignments for a candidate for leuA in Thermithiobacillus tepidarius DSM 3134

Align 2-isopropylmalate synthase (EC 2.3.3.13) (characterized)
to candidate WP_028988888.1 G579_RS0102250 2-isopropylmalate synthase

Query= BRENDA::Q9JZG1
         (517 letters)



>NCBI__GCF_000423825.1:WP_028988888.1
          Length = 510

 Score =  651 bits (1679), Expect = 0.0
 Identities = 331/509 (65%), Positives = 406/509 (79%), Gaps = 1/509 (0%)

Query: 4   TNRVIIFDTTLRDGEQSPGAAMTKEEKIRVARQLEKLGVDIIEAGFAAASPGDFEAVNAI 63
           +  +IIFDTTLRDGEQSPGAAMT+++KIR+A+ LE+L VD+IEAGF AAS GDFEAV A+
Sbjct: 2   SEHLIIFDTTLRDGEQSPGAAMTRDDKIRIAKALERLRVDVIEAGFPAASNGDFEAVRAV 61

Query: 64  AKTITKSTVCSLSRAIERDIRQAGEAVAPAPKKRIHTFIATSPIHMEYKLKMKPKQVIEA 123
           A+ +  S +C L+RA E+DI +AGEA+ PA   RIHTFIATSPIHM+ KL+M P+QV+EA
Sbjct: 62  AEAVKDSRICGLARAREQDITRAGEALKPAAANRIHTFIATSPIHMQAKLRMSPEQVLEA 121

Query: 124 AVKAVKIAREYTDDVEFSCEDALRSEIDFLAEICGAVIEAGATTINIPDTVGYSIPYKTE 183
           AV AVK+AR + +DVEFS EDA RS+ DFL  +  AVIEAGA TINIPDTVGY++P +  
Sbjct: 122 AVAAVKLARRFVEDVEFSPEDAGRSDEDFLCRVIEAVIEAGARTINIPDTVGYNLPDRFG 181

Query: 184 EFFRELIAKTPNGGKVVWSAHCHNDLGLAVANSLAALKGGARQVECTVNGLGERAGNASV 243
              R L  + PN  K V+S HCHNDLGLAVANSLAA++ GARQVECT+NGLGERAGNA++
Sbjct: 182 RLIRNLRERIPNADKAVFSVHCHNDLGLAVANSLAAVQNGARQVECTINGLGERAGNAAL 241

Query: 244 EEIVMALKVRHDLFGLETGIDTTQIVPSSKLVSTITGYPVQPNKAIVGANAFSHESGIHQ 303
           EEIVMA++ R DLF  +T IDTTQIVP+SKLVS+ITG+PVQPNKAIVGANAF+HESGIHQ
Sbjct: 242 EEIVMAVRTRRDLFTCDTRIDTTQIVPASKLVSSITGFPVQPNKAIVGANAFAHESGIHQ 301

Query: 304 DGVLKHRETYEIMSAESVGWATNRLSLGKLSGRNAFKTKLADLGIELESEEALNAAFARF 363
           DGVLKHRETYEIM AE VGW+TNR+SLGKLSGR AF+++L +LGI L  EE LN AFARF
Sbjct: 302 DGVLKHRETYEIMRAEDVGWSTNRISLGKLSGRAAFRSRLQELGIAL-GEEELNLAFARF 360

Query: 364 KELADKKREIFDEDLHALVSDEMGSMNAESYKFISQKISTETGEEPRADIVFSIKGEEKR 423
           K+LAD+K EIFDEDL AL+S E+ +   E Y+    ++ +E G  P A +   + G EK 
Sbjct: 361 KDLADRKAEIFDEDLQALISTEVHAGLTEHYRLGYLRVCSEMGTRPEATVELLVDGVEKT 420

Query: 424 ASATGSGPVDAIFKAIESVAQSGAALQIYSVNAVTQGTESQGETSVRLARGNRVVNGQGA 483
           A A G GPVDA FKAIES+AQSGA L +YSVNA+T GT++QGE +VRL +  R VNGQGA
Sbjct: 421 ARAHGGGPVDAAFKAIESIAQSGATLLLYSVNAITTGTDAQGEVTVRLEKDGRAVNGQGA 480

Query: 484 DTDVLVATAKAYLSALSKLEFSAAKPKAQ 512
           DTD+++A+AKAYL+AL++L    A+   Q
Sbjct: 481 DTDIVIASAKAYLNALNRLAQPIARQHPQ 509


Lambda     K      H
   0.313    0.129    0.352 

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: 685
Number of extensions: 20
Number of successful extensions: 2
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: 517
Length of database: 510
Length adjustment: 35
Effective length of query: 482
Effective length of database: 475
Effective search space:   228950
Effective search space used:   228950
Neighboring words threshold: 11
Window for multiple hits: 40
X1: 16 ( 7.2 bits)
X2: 38 (14.6 bits)
X3: 64 (24.7 bits)
S1: 42 (21.9 bits)
S2: 52 (24.6 bits)

Align candidate WP_028988888.1 G579_RS0102250 (2-isopropylmalate synthase)
to HMM TIGR00973 (leuA: 2-isopropylmalate synthase (EC 2.3.3.13))

# 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/TIGR00973.hmm
# target sequence database:        /tmp/gapView.25860.genome.faa
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -

Query:       TIGR00973  [M=494]
Accession:   TIGR00973
Description: leuA_bact: 2-isopropylmalate 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
    ------- ------ -----    ------- ------ -----   ---- --  --------                                 -----------
   3.1e-226  737.5   2.1   3.5e-226  737.3   2.1    1.0  1  lcl|NCBI__GCF_000423825.1:WP_028988888.1  G579_RS0102250 2-isopropylmalate


Domain annotation for each sequence (and alignments):
>> lcl|NCBI__GCF_000423825.1:WP_028988888.1  G579_RS0102250 2-isopropylmalate synthase
   #    score  bias  c-Evalue  i-Evalue hmmfrom  hmm to    alifrom  ali to    envfrom  env to     acc
 ---   ------ ----- --------- --------- ------- -------    ------- -------    ------- -------    ----
   1 !  737.3   2.1  3.5e-226  3.5e-226       2     494 .]       5     497 ..       4     497 .. 1.00

  Alignments for each domain:
  == domain 1  score: 737.3 bits;  conditional E-value: 3.5e-226
                                 TIGR00973   2 vlifdttlrdGeqapgasltveeklqiakalerlgvdiieaGfpvsskgdfeavqkiarevknarvvgl 70 
                                               ++ifdttlrdGeq+pga++t ++k++iakalerl vd+ieaGfp++s+gdfeav+ +a++vk++r++gl
  lcl|NCBI__GCF_000423825.1:WP_028988888.1   5 LIIFDTTLRDGEQSPGAAMTRDDKIRIAKALERLRVDVIEAGFPAASNGDFEAVRAVAEAVKDSRICGL 73 
                                               68******************************************************************* PP

                                 TIGR00973  71 aravekdidaaaealkpaekkrihtfiatsdihleaklkktkdevlerivkavkyaknfvddvefsaed 139
                                               ara e+di  a ealkpa+++rihtfiats+ih++akl+++ ++vle +v+avk a+ fv+dvefs+ed
  lcl|NCBI__GCF_000423825.1:WP_028988888.1  74 ARAREQDITRAGEALKPAAANRIHTFIATSPIHMQAKLRMSPEQVLEAAVAAVKLARRFVEDVEFSPED 142
                                               ********************************************************************* PP

                                 TIGR00973 140 agrteleflarvveaaieaGattiniPdtvGyalPaeygelikelkenvPnidkailsvhchddlGlav 208
                                               agr++ +fl+rv+ea+ieaGa tiniPdtvGy lP+ +g li++l+e++Pn dka++svhch+dlGlav
  lcl|NCBI__GCF_000423825.1:WP_028988888.1 143 AGRSDEDFLCRVIEAVIEAGARTINIPDTVGYNLPDRFGRLIRNLRERIPNADKAVFSVHCHNDLGLAV 211
                                               ********************************************************************* PP

                                 TIGR00973 209 anslaavknGarqvectinGiGeraGnaaleevvmalkvrkdflnvetgintkeiyrtsrlvskltgml 277
                                               anslaav+nGarqvectinG+GeraGnaalee+vma+++r+d++  +t i+t +i  +s+lvs +tg +
  lcl|NCBI__GCF_000423825.1:WP_028988888.1 212 ANSLAAVQNGARQVECTINGLGERAGNAALEEIVMAVRTRRDLFTCDTRIDTTQIVPASKLVSSITGFP 280
                                               ********************************************************************* PP

                                 TIGR00973 278 vqrnkaivGdnafahesGihqdGvlknketyeilspesiGlkkeklvlgkrsGraalkkrleelGfkld 346
                                               vq+nkaivG+nafahesGihqdGvlk++etyei+++e++G +++++ lgk sGraa+++rl+elG+ l 
  lcl|NCBI__GCF_000423825.1:WP_028988888.1 281 VQPNKAIVGANAFAHESGIHQDGVLKHRETYEIMRAEDVGWSTNRISLGKLSGRAAFRSRLQELGIALG 349
                                               ********************************************************************* PP

                                 TIGR00973 347 eeeldklfekfkeladkkkevfdedlealvleelrqeeeeklkleklqvqsgeesvptatvklkvkgee 415
                                               eeel+ +f +fk+lad+k e+fdedl+al+++e++   +e+++l +l+v s   + p atv+l v+g e
  lcl|NCBI__GCF_000423825.1:WP_028988888.1 350 EEELNLAFARFKDLADRKAEIFDEDLQALISTEVHAGLTEHYRLGYLRVCSEMGTRPEATVELLVDGVE 418
                                               ********************************************************************* PP

                                 TIGR00973 416 keaaatGnGpvdavykaiekilelevklleysitakgegkdalgevkvvlelngkkysGrgvatdivea 484
                                               k+a a G Gpvda +kaie i +    ll ys++a ++g+da+gev+v+le +g+ ++G+g++tdiv a
  lcl|NCBI__GCF_000423825.1:WP_028988888.1 419 KTARAHGGGPVDAAFKAIESIAQSGATLLLYSVNAITTGTDAQGEVTVRLEKDGRAVNGQGADTDIVIA 487
                                               ********************************************************************* PP

                                 TIGR00973 485 sakayvnaln 494
                                               sakay+naln
  lcl|NCBI__GCF_000423825.1:WP_028988888.1 488 SAKAYLNALN 497
                                               *********9 PP



Internal pipeline statistics summary:
-------------------------------------
Query model(s):                            1  (494 nodes)
Target sequences:                          1  (510 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: 0.02u 0.00s 00:00:00.02 Elapsed: 00:00:00.02
# Mc/sec: 10.89
//
[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