Alignments for a candidate for paaK in Bacteroides thetaiotaomicron VPI-5482

GapMind for catabolism of small carbon sources

Alignments for a candidate for paaK in Bacteroides thetaiotaomicron VPI-5482

Align Phenylacetate-coenzyme A ligase; Phenylacetyl-CoA ligase; PA-CoA ligase; EC 6.2.1.30 (characterized)
to candidate 350099 BT0571 phenylacetate-coenzyme A ligase (NCBI ptt file)

Query= SwissProt::Q72K16
         (445 letters)



>FitnessBrowser__Btheta:350099
          Length = 432

 Score =  447 bits (1149), Expect = e-130
 Identities = 225/445 (50%), Positives = 307/445 (68%), Gaps = 14/445 (3%)

Query: 1   MMYQPELETLPREKLRALQEERLKRLVAYVYERVPFYRRLLDEAGVDPKGFRGLEDLPRI 60
           M++   +E + RE LR +Q  RLK++V YVY   PFYR+ + E G+ P     ++D+ ++
Sbjct: 1   MIWNETIECMDRESLRKIQSIRLKKIVDYVYHNTPFYRKKMQEMGITPDDINTIDDIVKL 60

Query: 61  PFTKKTDLRDHYPFGLFAVPREEVARVHASSGTTGKPTVVGYTKNDLKVFAEVVARSLAA 120
           PFT K DLRD+YPFGL AVP  ++ R+HASSGTTGKPTVVGYT+ DL  +AE ++R+  A
Sbjct: 61  PFTTKHDLRDNYPFGLCAVPMSQIVRIHASSGTTGKPTVVGYTRKDLSSWAECISRAFTA 120

Query: 121 AGARPGMMLHNAYGYGLFTGGLGLHGGAEALGMTVVPVSGGMTERQVMLIQDFRPEVISC 180
            GA    +   +YGYGLFTGGLG H GAE +G +V+P+S G TE+Q+ L+ DF   V+ C
Sbjct: 121 YGAGRSDIFQVSYGYGLFTGGLGAHAGAENIGASVIPMSSGNTEKQITLMHDFGSTVLCC 180

Query: 181 TPSYAQTLAEEFRKRGVSPEELSLEYAVLGAEPWTEAIRKQVDEGLGVKSTNIYGLSEII 240
           TPSYA  LA+  +  G   EE  L+   LGAEPWTE +R +++E LG+K+ +IYGLSEI 
Sbjct: 181 TPSYALYLADAIKDSGYPREEFQLKVGALGAEPWTENMRHEIEEKLGIKAYDIYGLSEIA 240

Query: 241 GPGVSNECVEERQGSHIWEDHFLPEVVDPDTGEPLPEGKVGVLVFTTLTKEAMPLLRYWT 300
           GPGV  EC E + G+H+ EDH+ PE++DP+T +P+  G+ G LVFT LTKE MPLLRY T
Sbjct: 241 GPGVGYEC-ECQHGTHLNEDHYFPEIIDPNTLQPVEPGQTGELVFTHLTKEGMPLLRYRT 299

Query: 301 GDLTFLTYEACTCGRTHVRMGPILGRTDDMLIIRGVNVYPTQVEAVLLAIPEVVPHYQIV 360
            DLT L Y+ C+CGRT VRM  ILGR+DDMLIIRGVNV+PTQ+E+V+L + E  PHY ++
Sbjct: 300 RDLTALHYDKCSCGRTLVRMDRILGRSDDMLIIRGVNVFPTQIESVILEMEEFEPHYLLI 359

Query: 361 VRREGTLDEAELKVEVSEPFFREIGQEVLSDEVVEADHRLHALRERIARKIKDNVGVTLK 420
           V RE   D  EL+VEV   F+        SDE+    +R+ AL++++A +++  +G+ + 
Sbjct: 360 VGRENNTDTMELQVEVRPDFY--------SDEI----NRMLALKKKLASRLQSVLGLGVN 407

Query: 421 VTLLPPGQAPRSEGGKLRRVLDLRK 445
           V L+ P    RS  GK +RV+D RK
Sbjct: 408 VKLVEPRSIERSV-GKAKRVIDNRK 431


Lambda     K      H
   0.319    0.139    0.409 

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: 525
Number of extensions: 13
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: 445
Length of database: 432
Length adjustment: 32
Effective length of query: 413
Effective length of database: 400
Effective search space:   165200
Effective search space used:   165200
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: 51 (24.3 bits)

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