Alignments for a candidate for aacS in Shewanella sp. ANA-3

GapMind for catabolism of small carbon sources

Alignments for a candidate for aacS in Shewanella sp. ANA-3

Align Acetoacetate--CoA ligase (EC 6.2.1.16) (characterized)
to candidate 7026089 Shewana3_3231 AMP-dependent synthetase and ligase (RefSeq)

Query= reanno::acidovorax_3H11:Ac3H11_3009
         (578 letters)



>FitnessBrowser__ANA3:7026089
          Length = 534

 Score =  218 bits (555), Expect = 5e-61
 Identities = 162/525 (30%), Positives = 258/525 (49%), Gaps = 38/525 (7%)

Query: 54  GRRYTYAQLQTEAHRLASALLG-MGLTPGDRVGIWSHNNAEWVLMQLATAQVGLVLVNIN 112
           G+  ++  ++ ++   A+ L     L PGDR+ I   N  ++V+      + GL+LVN N
Sbjct: 38  GKTSSFNDIERDSRYFAAYLQNNTNLKPGDRIAIQLPNITQFVIAAYGALRAGLILVNTN 97

Query: 113 PAYRTAEVEYALNKVGCKLLVSMARFKTSDYLGMLRELAPEWQGQQPGHLQAAKLPQLKT 172
           P Y   E+ +  N  G K LV +     SD L  L ++        P  L  +  P    
Sbjct: 98  PLYTERELIHQFNDSGAKALVVL-----SDLLPTLAKVV----ATTPIELVISTHP---- 144

Query: 173 VVWIDDEAGQGADEPGL--LRFTELIARGNAADPRLAQVAAGLQATDPINIQFTSGTTGF 230
              +D    Q   + GL  + F +++ +G A  P    V A   A D   +Q+T GTTG 
Sbjct: 145 ---LDLIDPQVQPKTGLKNVEFCQVLKQG-AELPFSRFVPA---ANDLAALQYTGGTTGL 197

Query: 231 PKGATLTHRNILNNGFFIGECMK--LTPADRLCI-PVPLYHCFGMVLGNLACFTHGATIV 287
            KGA LTH N+L N   +   +   +T  + + + P+P+YH +  ++  +  F  G   V
Sbjct: 198 SKGAMLTHGNMLANAAQVKSRIGSVITEGEDIFVAPLPIYHIYAFMVNLVLYFECGGCSV 257

Query: 288 YPNDGFDPLTVLQTVQDERCTGLHGVPTMFIAELDHPRFAEFNLSTLRTGIMAGSPCPTE 347
              +  D   +++T+     TG  G+ T+F+A    P F   + S L+  I  G+   T 
Sbjct: 258 LIPNPRDISGLIKTLAKYPFTGFAGLNTLFVALCHQPEFKALDFSHLKITISGGTAL-TA 316

Query: 348 VMKRVVEQMNLREITIAYGMTETSPVSCQSSTDTPLSKRVSTVGQVQPHLEVKIVDPDTG 407
               + +Q     I+  YG++ETSPV    S + P  +++ T+G+     EVK++D + G
Sbjct: 317 AAANIWQQTTGNTISEGYGLSETSPVI---SLNAPGYQKIGTIGKPVLGTEVKLLD-ENG 372

Query: 408 AVVPIGQRGEFCTKGYSVMHGYWGDEAKTREAIDEGGWMHTGDLATMDAEGYVNIVGRIK 467
             V  G+ GE   +G  VM GYW +  +T   +   G+  TGD+A ++ EG+  IV R K
Sbjct: 373 NEVAQGEAGELAARGPQVMLGYWNNPQETANVMTADGFFKTGDIAILNEEGFHQIVDRKK 432

Query: 468 DMVIRGGENIYPREIEEFLYRHPQVQDVQVVGVPDQKYGEELCAWIIAKPGTQPTED--- 524
           DM+I  G N+YP E+E  L  HP + +  VVGV D+  GE + A+++ K  +Q  E    
Sbjct: 433 DMIIVSGFNVYPNEVENVLASHPNIIECAVVGVKDEHSGEAVKAFVVLKDDSQDHEQMKT 492

Query: 525 DIRAFCKGQIAHYKVPRYIRFVTSFPMTVTGKIQKFKIRDEMKDQ 569
            I  FC+ Q+  YK+P+ I F+   P +  GKI    +R E+K Q
Sbjct: 493 AILNFCREQLTAYKLPKLIEFMPQLPKSTVGKI----LRRELKHQ 533


Lambda     K      H
   0.320    0.136    0.412 

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: 714
Number of extensions: 33
Number of successful extensions: 6
Number of sequences better than 1.0e-02: 1
Number of HSP's gapped: 2
Number of HSP's successfully gapped: 2
Length of query: 578
Length of database: 534
Length adjustment: 36
Effective length of query: 542
Effective length of database: 498
Effective search space:   269916
Effective search space used:   269916
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 (21.8 bits)
S2: 53 (25.0 bits)

This GapMind analysis is from Sep 17 2021. The underlying query database was built on Sep 17 2021.

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Candidates (tab-delimited)
Steps (tab-delimited)
Rules (tab-delimited)
Protein sequences (fasta format)
Organisms (tab-delimited)
SQLite3 databases

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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