Aligments for a candidate for mmsB in Shewanella oneidensis MR-1

GapMind for catabolism of small carbon sources

Aligments for a candidate for mmsB in Shewanella oneidensis MR-1

Align 3-hydroxyisobutyrate dehydrogenase; HIBADH; EC 1.1.1.31 (characterized)
to candidate 200847 SO1682 3-hydroxyisobutyrate dehydrogenase (NCBI ptt file)

Query= SwissProt::P28811
         (298 letters)



>FitnessBrowser__MR1:200847
          Length = 300

 Score =  328 bits (840), Expect = 1e-94
 Identities = 176/293 (60%), Positives = 208/293 (70%), Gaps = 5/293 (1%)

Query: 1   MTDIAFLGLGNMGGPMAANLLKAGHRVNVFDLQPKAVLGLVEQGAQGADSALQCCEGAEV 60
           M+ +AF+GLGNMGGPMAANLLKAG  V VFDL   A+  L EQGA  + +A     GA V
Sbjct: 1   MSTVAFIGLGNMGGPMAANLLKAGMTVRVFDLVHTAMQTLAEQGALVSSTACGAAAGANV 60

Query: 61  VISMLPAGQHVESLYLG---DDGLLARVAGKPLLIDCSTIAPETARKVAEAAAAKGLTLL 117
           VI+MLPAG+HV++LYLG   + GLL  VA   LLIDCSTI  ++A+ VA  AA  GL  +
Sbjct: 61  VITMLPAGKHVKNLYLGSGSEKGLLDVVASDTLLIDCSTIDAQSAQLVATQAAKNGLEFM 120

Query: 118 DAPVSGGVGGARAGTLSFIVGGPAEGFARARPVLENMGRNIFHAGDHGAGQVAKICNNML 177
           DAPVSGG  GA AGTL+FI GG    F RA+PVL  MG+NIFHAG  GAGQ+AKICNNML
Sbjct: 121 DAPVSGGTSGAAAGTLTFICGGSDTAFERAQPVLNAMGKNIFHAGGPGAGQIAKICNNML 180

Query: 178 LGILMAGTAEALALGVKNGLDPAVLSEVMKQSSGGNWALNLYNPWPGVMPQAPASNGYAG 237
           L +LM GT+EAL +G+ +GLDP VLS +MK SSGGNW L  YNP PGVM   P+S GY G
Sbjct: 181 LSVLMVGTSEALQMGIDHGLDPKVLSNIMKVSSGGNWTLEKYNPCPGVMENVPSSKGYQG 240

Query: 238 GFQVRLMNKDLGLALANAQAVQASTPLGALARNLFSLHAQADAEHEGLDFSSI 290
           GF V LM KDLGL+   A    +STP+GALAR+L+  HA+    H   DFSSI
Sbjct: 241 GFMVDLMVKDLGLSFEAALLSNSSTPMGALARSLYVSHARQGNGHR--DFSSI 291


Lambda     K      H
   0.317    0.135    0.395 

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: 327
Number of extensions: 7
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: 298
Length of database: 300
Length adjustment: 27
Effective length of query: 271
Effective length of database: 273
Effective search space:    73983
Effective search space used:    73983
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: 48 (23.1 bits)

Align candidate 200847 SO1682 (3-hydroxyisobutyrate dehydrogenase (NCBI ptt file))
to HMM TIGR01692 (mmsB: 3-hydroxyisobutyrate dehydrogenase (EC 1.1.1.31))

# 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/TIGR01692.hmm
# target sequence database:        /tmp/gapView.1906.genome.faa
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -

Query:       TIGR01692  [M=288]
Accession:   TIGR01692
Description: HIBADH: 3-hydroxyisobutyrate dehydrogenase
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
    ------- ------ -----    ------- ------ -----   ---- --  --------                       -----------
   3.2e-124  399.9   9.8   3.6e-124  399.8   9.8    1.0  1  lcl|FitnessBrowser__MR1:200847  SO1682 3-hydroxyisobutyrate dehy


Domain annotation for each sequence (and alignments):
>> lcl|FitnessBrowser__MR1:200847  SO1682 3-hydroxyisobutyrate dehydrogenase (NCBI ptt file)
   #    score  bias  c-Evalue  i-Evalue hmmfrom  hmm to    alifrom  ali to    envfrom  env to     acc
 ---   ------ ----- --------- --------- ------- -------    ------- -------    ------- -------    ----
   1 !  399.8   9.8  3.6e-124  3.6e-124       1     285 [.       6     293 ..       6     296 .. 0.98

  Alignments for each domain:
  == domain 1  score: 399.8 bits;  conditional E-value: 3.6e-124
                       TIGR01692   1 fiGlGnmGgpmaanllkaghavrvfdlsakaveelveaGaqaaasaaeaveeadvvitmlPagkhvesvyag...degi 76 
                                     fiGlGnmGgpmaanllkag +vrvfdl  +a+++l e+Ga ++++a  a+++a+vvitmlPagkhv+++y+g   ++g+
  lcl|FitnessBrowser__MR1:200847   6 FIGLGNMGGPMAANLLKAGMTVRVFDLVHTAMQTLAEQGALVSSTACGAAAGANVVITMLPAGKHVKNLYLGsgsEKGL 84 
                                     9*********************************************************************97333589* PP

                       TIGR01692  77 lakvkkksllidsstidvdsarkvaeeaaakGavfldaPvsGGvggaraGtltfmvGgeaeefaraepvleamgknivh 155
                                     l  v+ ++llid+stid++sa+ va +aa++G+ f+daPvsGG+ ga+aGtltf+ Gg++ +f+ra+pvl+amgkni+h
  lcl|FitnessBrowser__MR1:200847  85 LDVVASDTLLIDCSTIDAQSAQLVATQAAKNGLEFMDAPVSGGTSGAAAGTLTFICGGSDTAFERAQPVLNAMGKNIFH 163
                                     ******************************************************************************* PP

                       TIGR01692 156 aGdaGaGqaakiCnnlllgismiGvaealalgeklGldpkvlaeilskssGrcWsldtynPvPGvveqaPasngykgGf 234
                                     aG+ GaGq akiCnn+ll++ m+G++eal++g+  Gldpkvl++i++ ssG +W+l+ ynP PGv+e++P+s+gy+gGf
  lcl|FitnessBrowser__MR1:200847 164 AGGPGAGQIAKICNNMLLSVLMVGTSEALQMGIDHGLDPKVLSNIMKVSSGGNWTLEKYNPCPGVMENVPSSKGYQGGF 242
                                     ******************************************************************************* PP

                       TIGR01692 235 atalmlkdlglaqeaaksvkasvllGalarelyslfaskgagkkdfsavik 285
                                      ++lm+kdlgl+ eaa   ++s+++Galar ly  +a +g g +dfs++++
  lcl|FitnessBrowser__MR1:200847 243 MVDLMVKDLGLSFEAALLSNSSTPMGALARSLYVSHARQGNGHRDFSSIFE 293
                                     *************************************************97 PP



Internal pipeline statistics summary:
-------------------------------------
Query model(s):                            1  (288 nodes)
Target sequences:                          1  (300 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 0.00s 00:00:00.01 Elapsed: 00:00:00.01
# Mc/sec: 6.92
//
[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, or view the source code.

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