Alignments for a candidate for aroB in Clostridium acetobutylicum ATCC 824

GapMind for Amino acid biosynthesis

Alignments for a candidate for aroB in Clostridium acetobutylicum ATCC 824

Align 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 (uncharacterized)
to candidate NP_347530.1 CA_C0894 3-dehydroquinate synthase

Query= curated2:Q97KM3
         (356 letters)



>NCBI__GCF_000008765.1:NP_347530.1
          Length = 356

 Score =  708 bits (1827), Expect = 0.0
 Identities = 356/356 (100%), Positives = 356/356 (100%)

Query: 1   MKTLEMELGQNSYSIFIEKGIMNDIGKRISKLYSGEKIVLITDDNVNKFYGEKLEKNIKD 60
           MKTLEMELGQNSYSIFIEKGIMNDIGKRISKLYSGEKIVLITDDNVNKFYGEKLEKNIKD
Sbjct: 1   MKTLEMELGQNSYSIFIEKGIMNDIGKRISKLYSGEKIVLITDDNVNKFYGEKLEKNIKD 60

Query: 61  FGYDVFKIVIKAGEKSKNIKTLTDIYSRLAEFRITRSDLIVTLGGGVVGDIGGFAAATYL 120
           FGYDVFKIVIKAGEKSKNIKTLTDIYSRLAEFRITRSDLIVTLGGGVVGDIGGFAAATYL
Sbjct: 61  FGYDVFKIVIKAGEKSKNIKTLTDIYSRLAEFRITRSDLIVTLGGGVVGDIGGFAAATYL 120

Query: 121 RGISYIQIPTSLLAQIDSSIGGKVAVDLEQGKNLVGNFYQPKAVFIDPLFLKTLDIRFLH 180
           RGISYIQIPTSLLAQIDSSIGGKVAVDLEQGKNLVGNFYQPKAVFIDPLFLKTLDIRFLH
Sbjct: 121 RGISYIQIPTSLLAQIDSSIGGKVAVDLEQGKNLVGNFYQPKAVFIDPLFLKTLDIRFLH 180

Query: 181 DGMGEVIKYGAIRDGELFKRLEEFKDDNELMDNIEYVIHACCRIKKQVVENDEKDNGERM 240
           DGMGEVIKYGAIRDGELFKRLEEFKDDNELMDNIEYVIHACCRIKKQVVENDEKDNGERM
Sbjct: 181 DGMGEVIKYGAIRDGELFKRLEEFKDDNELMDNIEYVIHACCRIKKQVVENDEKDNGERM 240

Query: 241 ILNFGHTIGHAVEEFFHYEKFTHGECVAYGMYSITKNSERLGITKEGTTEKLKNIIKKYS 300
           ILNFGHTIGHAVEEFFHYEKFTHGECVAYGMYSITKNSERLGITKEGTTEKLKNIIKKYS
Sbjct: 241 ILNFGHTIGHAVEEFFHYEKFTHGECVAYGMYSITKNSERLGITKEGTTEKLKNIIKKYS 300

Query: 301 LPFNIDNLKNERIYEIAALDKKSRGKFINLVLLKDIGDCFIEKVESKETYKYLRVV 356
           LPFNIDNLKNERIYEIAALDKKSRGKFINLVLLKDIGDCFIEKVESKETYKYLRVV
Sbjct: 301 LPFNIDNLKNERIYEIAALDKKSRGKFINLVLLKDIGDCFIEKVESKETYKYLRVV 356


Lambda     K      H
   0.320    0.141    0.398 

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: 692
Number of extensions: 17
Number of successful extensions: 1
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: 356
Length of database: 356
Length adjustment: 29
Effective length of query: 327
Effective length of database: 327
Effective search space:   106929
Effective search space used:   106929
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 (21.7 bits)
S2: 49 (23.5 bits)

Align candidate NP_347530.1 CA_C0894 (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.5262.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
    ------- ------ -----    ------- ------ -----   ---- --  --------                              -----------
   1.1e-119  385.6   0.9   1.3e-119  385.4   0.9    1.0  1  lcl|NCBI__GCF_000008765.1:NP_347530.1  CA_C0894 3-dehydroquinate syntha


Domain annotation for each sequence (and alignments):
>> lcl|NCBI__GCF_000008765.1:NP_347530.1  CA_C0894 3-dehydroquinate synthase
   #    score  bias  c-Evalue  i-Evalue hmmfrom  hmm to    alifrom  ali to    envfrom  env to     acc
 ---   ------ ----- --------- --------- ------- -------    ------- -------    ------- -------    ----
   1 !  385.4   0.9  1.3e-119  1.3e-119       1     339 [.      13     349 ..      13     354 .. 0.97

  Alignments for each domain:
  == domain 1  score: 385.4 bits;  conditional E-value: 1.3e-119
                              TIGR01357   1 ykvkvgegllkklveelae..kasklvvitdeeveklvaekleealkslgvevlvlvvpdgeesKsletvak 70 
                                            y++ +++g+++ + + +++  + +k+v+itd++v+k ++ekle+  k+ g+ v+++v+++ge+sK+++t+++
  lcl|NCBI__GCF_000008765.1:NP_347530.1  13 YSIFIEKGIMNDIGKRISKlySGEKIVLITDDNVNKFYGEKLEKNIKDFGYDVFKIVIKAGEKSKNIKTLTD 84 
                                            6899***************7656************************************************* PP

                              TIGR01357  71 lldqlleeklerksvlvaiGGGvvgDlaGFvAatylRGirlvqvPTtllamvDssvGGKtginlplgkNliG 142
                                            ++++l+e  ++r++++v++GGGvvgD++GF+AatylRGi+++q+PT+lla++Dss+GGK++++l++gkNl+G
  lcl|NCBI__GCF_000008765.1:NP_347530.1  85 IYSRLAEFRITRSDLIVTLGGGVVGDIGGFAAATYLRGISYIQIPTSLLAQIDSSIGGKVAVDLEQGKNLVG 156
                                            ************************************************************************ PP

                              TIGR01357 143 afyqPkaVlidlkvletlperelreGmaEviKhgliadaelfeelekneklllklaelealeelikrsievK 214
                                             fyqPkaV+id+ +l+tl+ r l +Gm+EviK+g+i d elf++le+++++ +    ++ +e +i  ++++K
  lcl|NCBI__GCF_000008765.1:NP_347530.1 157 NFYQPKAVFIDPLFLKTLDIRFLHDGMGEVIKYGAIRDGELFKRLEEFKDDNE---LMDNIEYVIHACCRIK 225
                                            ************************************************99544...3599************ PP

                              TIGR01357 215 aevVeeDekesglRalLNfGHtlgHaiEallkyk.lsHGeaVaiGmvveaklseklgllkaellerlvallk 285
                                            ++vVe+Dek++g R++LNfGHt+gHa+E +++y+ ++HGe+Va+Gm   +k se+lg++k+  +e+l++++k
  lcl|NCBI__GCF_000008765.1:NP_347530.1 226 KQVVENDEKDNGERMILNFGHTIGHAVEEFFHYEkFTHGECVAYGMYSITKNSERLGITKEGTTEKLKNIIK 297
                                            ************************************************************************ PP

                              TIGR01357 286 klglptklkkklsveellkallkDKKnegskiklvlleeiGkaalasevteeel 339
                                            k++lp+++ + l+ e +++    DKK++g+ i+lvll++iG+++++ +v ++e+
  lcl|NCBI__GCF_000008765.1:NP_347530.1 298 KYSLPFNIDN-LKNERIYEIAALDKKSRGKFINLVLLKDIGDCFIE-KVESKET 349
                                            *********7.**********************************9.7766665 PP



Internal pipeline statistics summary:
-------------------------------------
Query model(s):                            1  (344 nodes)
Target sequences:                          1  (356 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: 00:00:00.01
# Mc/sec: 10.46
//
[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