Aligments for a candidate for leuA in Bacteroides thetaiotaomicron VPI-5482

GapMind for Amino acid biosynthesis

Aligments for a candidate for leuA in Bacteroides thetaiotaomicron VPI-5482

Align Isopropylmalate/homocitrate/citramalate synthase (characterized, see rationale)
to candidate 351389 BT1861 2-isopropylmalate synthase (NCBI ptt file)

Query= uniprot:L0G5E1_ECHVK
         (390 letters)



>FitnessBrowser__Btheta:351389
          Length = 498

 Score =  532 bits (1371), Expect = e-156
 Identities = 261/375 (69%), Positives = 318/375 (84%), Gaps = 1/375 (0%)

Query: 1   MDKRQVLIFDTTLRDGEQVPGCKLNTPQKIEIARQLESLGVDVIEAGFPISSPGDFKSVV 60
           MD R + IFDTTLRDGEQVPGC+LNT +KI++A+ LE+LGVDVIEAGFPISSPGDF SV+
Sbjct: 1   MDNR-LFIFDTTLRDGEQVPGCQLNTVEKIQVAKALEALGVDVIEAGFPISSPGDFNSVI 59

Query: 61  EISKSVSEPIICGLSRGVAKDIEVAAEALKYAKRPRIHTGIGTSPSHIKYKFKSTPDQIL 120
           EISK+V+ P IC L+R V KDI+VA +ALK+AK  RIHTGIGTS SHIKYKF S  ++I+
Sbjct: 60  EISKAVTWPTICALTRAVQKDIDVAVDALKFAKHKRIHTGIGTSDSHIKYKFNSNREEII 119

Query: 121 ERAVAAVKHAKSFVEDVEFYAEDAGRTDNEYLARICEAVVKAGATVLNIPDTTGYCLPDE 180
           ERAVAAVK+A+ FV+DVEFYAEDAGRTDNEYLAR+ EAV+KAGATV+NIPDTTGYCLP E
Sbjct: 120 ERAVAAVKYARRFVDDVEFYAEDAGRTDNEYLARVVEAVIKAGATVVNIPDTTGYCLPSE 179

Query: 181 YGAKIKYLMDNVKGIENVIISAHCHNDLGLATANSISAVMNGARQIECTINGIGERAGNT 240
           YGAKIKYL+D+V GI+N I+S HCHNDLG+ATAN+I+ V+NGARQ+E TINGIGERAGNT
Sbjct: 180 YGAKIKYLIDHVDGIDNAILSTHCHNDLGMATANTIAGVLNGARQVEVTINGIGERAGNT 239

Query: 241 SLEEVAMIMKQHPRLNVYNKINSRLLNPISRLVSERMGMHVQPNKAIVGSNAFAHSSGIH 300
           +LEE+AMI+K H  +++   IN++ + P SR+VS  M M VQPNKAIVG NAFAHSSGIH
Sbjct: 240 ALEEIAMIIKSHHEIDIQTNINTQKIYPTSRMVSSLMNMPVQPNKAIVGRNAFAHSSGIH 299

Query: 301 QDGVIKNRETYEIIDPEEVGVTESMIVLTARSGRAALAFRLHKIGYTITKLQLDDIYQLF 360
           QDGV+KN ETYEIIDP +VG+ ++ IVLTARSGRAAL  RL  +G  + + +LD +Y+ F
Sbjct: 300 QDGVLKNVETYEIIDPHDVGIDDNSIVLTARSGRAALKNRLSLLGVNLDQEKLDKVYEEF 359

Query: 361 LEHADMKKEITDEDL 375
           L+ AD KK+I D+D+
Sbjct: 360 LKLADKKKDINDDDV 374


Lambda     K      H
   0.317    0.134    0.375 

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: 569
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: 390
Length of database: 498
Length adjustment: 32
Effective length of query: 358
Effective length of database: 466
Effective search space:   166828
Effective search space used:   166828
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 (21.6 bits)
S2: 51 (24.3 bits)

Align candidate 351389 BT1861 (2-isopropylmalate synthase (NCBI ptt file))
to HMM TIGR00973 (leuA: 2-isopropylmalate synthase (EC 2.3.3.13))

# 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/TIGR00973.hmm
# target sequence database:        /tmp/gapView.31659.genome.faa
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -

Query:       TIGR00973  [M=494]
Accession:   TIGR00973
Description: leuA_bact: 2-isopropylmalate 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
    ------- ------ -----    ------- ------ -----   ---- --  --------                          -----------
   1.4e-206  672.6  11.2   1.6e-206  672.5  11.2    1.0  1  lcl|FitnessBrowser__Btheta:351389  BT1861 2-isopropylmalate synthas


Domain annotation for each sequence (and alignments):
>> lcl|FitnessBrowser__Btheta:351389  BT1861 2-isopropylmalate synthase (NCBI ptt file)
   #    score  bias  c-Evalue  i-Evalue hmmfrom  hmm to    alifrom  ali to    envfrom  env to     acc
 ---   ------ ----- --------- --------- ------- -------    ------- -------    ------- -------    ----
   1 !  672.5  11.2  1.6e-206  1.6e-206       1     494 []       4     494 ..       4     494 .. 0.98

  Alignments for each domain:
  == domain 1  score: 672.5 bits;  conditional E-value: 1.6e-206
                          TIGR00973   1 rvlifdttlrdGeqapgasltveeklqiakalerlgvdiieaGfpvsskgdfeavqkiarevknarvvglaravek 76 
                                        r+ ifdttlrdGeq pg +l++ ek+q+akale lgvd+ieaGfp+ss+gdf++v +i+++v  +++++l+rav+k
  lcl|FitnessBrowser__Btheta:351389   4 RLFIFDTTLRDGEQVPGCQLNTVEKIQVAKALEALGVDVIEAGFPISSPGDFNSVIEISKAVTWPTICALTRAVQK 79 
                                        678************************************************************************* PP

                          TIGR00973  77 didaaaealkpaekkrihtfiatsdihleaklkktkdevlerivkavkyaknfvddvefsaedagrteleflarvv 152
                                        did+a++alk a++kriht i tsd h+++k+ ++++e++er+v+avkya+ fvddvef aedagrt+ e+larvv
  lcl|FitnessBrowser__Btheta:351389  80 DIDVAVDALKFAKHKRIHTGIGTSDSHIKYKFNSNREEIIERAVAAVKYARRFVDDVEFYAEDAGRTDNEYLARVV 155
                                        **************************************************************************** PP

                          TIGR00973 153 eaaieaGattiniPdtvGyalPaeygelikelkenvPnidkailsvhchddlGlavanslaavknGarqvectinG 228
                                        ea+i+aGat++niPdt Gy+lP+eyg+ ik+l ++v +id+ails hch+dlG+a+an++a v nGarqve+tinG
  lcl|FitnessBrowser__Btheta:351389 156 EAVIKAGATVVNIPDTTGYCLPSEYGAKIKYLIDHVDGIDNAILSTHCHNDLGMATANTIAGVLNGARQVEVTING 231
                                        **************************************************************************** PP

                          TIGR00973 229 iGeraGnaaleevvmalkvrkdflnvetgintkeiyrtsrlvskltgmlvqrnkaivGdnafahesGihqdGvlkn 304
                                        iGeraGn+alee++m++k  ++ ++++t+int++iy tsr+vs l +m+vq+nkaivG nafah+sGihqdGvlkn
  lcl|FitnessBrowser__Btheta:351389 232 IGERAGNTALEEIAMIIKSHHE-IDIQTNINTQKIYPTSRMVSSLMNMPVQPNKAIVGRNAFAHSSGIHQDGVLKN 306
                                        ******************9876.69*************************************************** PP

                          TIGR00973 305 ketyeilspesiGlkkeklvlgkrsGraalkkrleelGfkldeeeldklfekfkeladkkkevfdedlealvleel 380
                                         etyei++p ++G++ + +vl++rsGraalk+rl+ lG++ld+e+ldk++e+f++ladkkk++ d+d+  l+  + 
  lcl|FitnessBrowser__Btheta:351389 307 VETYEIIDPHDVGIDDNSIVLTARSGRAALKNRLSLLGVNLDQEKLDKVYEEFLKLADKKKDINDDDVLVLAGADR 382
                                        *******************************************************************987777766 PP

                          TIGR00973 381 rqeeeeklkleklqvqsgeesvptatvklkvkgeekeaaatGnGpvdavykaiekilelevklleysitakgegkd 456
                                           +++++kle+lqv sg    + a + l+++ge+ ea+a+GnGpvda +ka++ki++ ++ l+e++i+a ++g+d
  lcl|FitnessBrowser__Btheta:351389 383 S--QNHRIKLEYLQVTSGVGVRSVASLGLNISGEKFEACASGNGPVDAAIKALKKIVDRHMTLKEFTIQAISKGSD 456
                                        6..56678******************************************************************** PP

                          TIGR00973 457 algevkvvlelngkkysGrgvatdiveasakayvnaln 494
                                         +g+v++++e++++ y G g++tdi+ as++ay++ +n
  lcl|FitnessBrowser__Btheta:351389 457 DVGKVHMQVEYDNQIYYGFGANTDIIAASVEAYIDCIN 494
                                        ************************************98 PP



Internal pipeline statistics summary:
-------------------------------------
Query model(s):                            1  (494 nodes)
Target sequences:                          1  (498 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: 0.03u 0.00s 00:00:00.03 Elapsed: 00:00:00.03
# Mc/sec: 7.38
//
[ok]

This GapMind analysis is from Aug 03 2021. The underlying query database was built on Aug 03 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, or see 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