Alignments for a candidate for hcl in Shewanella oneidensis MR-1

GapMind for catabolism of small carbon sources

Alignments for a candidate for hcl in Shewanella oneidensis MR-1

Align Benzoate--CoA ligase; Benzoyl-CoA synthetase; EC 6.2.1.25 (characterized)
to candidate 201721 SO2581 long-chain-fatty-acid--CoA ligase (NCBI ptt file)

Query= SwissProt::Q8GQN9
         (527 letters)



>FitnessBrowser__MR1:201721
          Length = 557

 Score =  165 bits (417), Expect = 5e-45
 Identities = 144/550 (26%), Positives = 242/550 (44%), Gaps = 45/550 (8%)

Query: 11  NTPPAIKIPERYNAADDLIGRNLLAGRGGKTVYIDDAGSYTYDELALRVNRCGSALRTTL 70
           + P  I + ++Y++  D+     +A    +  +I+   + TY +L  R     + L+  L
Sbjct: 12  DVPAEINV-DQYSSLIDMF-ETAVAKYADQPAFINMGATLTYRKLEERSRAFAAYLQNEL 69

Query: 71  GLQPKDRVLVCVLDGIDFPTTFLGAIKGGVVPIAINTLLTESDYEYMLTDSAARVAVVSQ 130
            LQ  DRV + + + + +P    G ++ G+V + +N L T  + ++ L DS A+  VV  
Sbjct: 70  KLQKGDRVALMMPNLLQYPIALFGILRAGMVVVNVNPLYTPRELKHQLIDSGAKAIVVVS 129

Query: 131 ELLPLFAPMLGKVPTLEHLVVAGGAGED-----------------------------SLA 161
                   ++ + P     V+  G G+                              S+ 
Sbjct: 130 NFARTLEEVVDQTPVKS--VIITGLGDLLSAPKRTLVNFVVKYIKKLVPKYDLPHALSMR 187

Query: 162 ALLATGSEQFEAAPT-RPDDHCFWLYSSGSTGAPKGTVHIHSDLI-HTAELYARPILGIR 219
             L+ G       P    DD  F  Y+ G+TG  KG +  HS+++ +  +        +R
Sbjct: 188 ETLSRGRRMQYVKPVITGDDLAFLQYTGGTTGVSKGAMLTHSNVVANVLQANGAYSPALR 247

Query: 220 EG-DVVFSAAKLFFAYGLGNGLIFPLAVGATAVLMAE-RPTPAAVFERLRRHQPDIFYGV 277
           +G + V +A  L+  + L    +  L  G+  +L+   R  P  V E L+++      GV
Sbjct: 248 DGSEFVVTALPLYHIFALTVNCLLFLHKGSQNLLITNPRDIPGFVAE-LKKYPFTALTGV 306

Query: 278 PTLYASMLANPDCPKEGELRLRACTSAGEALPEDVGRRWQARFGVDILDGIGSTEMLHIF 337
            TL+ +++ + D  +    RL+     G A+ + V  +WQ      +L+G G TE   + 
Sbjct: 307 NTLFNALVNSSDFSELDFSRLKLSIGGGMAVQKAVADKWQNITKTRLLEGYGLTEASPLL 366

Query: 338 LSNRAG-DVHYGTSGKPVPGYRLRLIDEDGAEITTAGVAGELQISGPSSAVMYWNNPEKT 396
                  D + G+ G P P   +++ D+ G  +   G  GEL   GP     YW  PE+T
Sbjct: 367 TCCPYNLDGYNGSIGFPAPSTLIQVRDDAG-NVLPQGETGELFGKGPQIMKGYWQRPEET 425

Query: 397 AATFMGE-WTRSGDKYLVNDEGYYVYAGRSDDMLKVSGIYVSPIEVESALIAHEAVLEAA 455
           A     + W  +GD   ++++G++    R  DM+ VSG  V P EVE  +  H  V+E A
Sbjct: 426 AKVIDNDGWLATGDIGYMDEQGFFYIVDRKKDMILVSGFNVFPNEVEEVVALHPKVIEVA 485

Query: 456 VVGWEDEDHLIKPKAFIVLKPGYGAGEALRTDLKAHVKNLLAPYKYPRWIEFVDDLPKTA 515
            VG  ++      K F+V K      E    D+  H +  L  YK P+ +EF D+LPKT 
Sbjct: 486 AVGVPNDASGELVKVFVVKKDKSLTAE----DIIKHCRVHLTGYKVPKLVEFRDELPKTN 541

Query: 516 TGKIQRFKLR 525
            GKI R +LR
Sbjct: 542 VGKILRRELR 551


Lambda     K      H
   0.319    0.138    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: 675
Number of extensions: 40
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: 527
Length of database: 557
Length adjustment: 35
Effective length of query: 492
Effective length of database: 522
Effective search space:   256824
Effective search space used:   256824
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: 52 (24.6 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