Difference between revisions of "Pfam"

Latest revision as of 08:23, 8 September 2007

The Pfam database contains information about protein domains and families. Pfam-A is the manually curated portion of the database that contains over 8,000 entries. For each entry a protein sequence alignment and a hidden Markov model is stored. These hidden Markov models can be used to search sequence databases with the HMMer package written by Sean Eddy. Because the entries in Pfam-A do not cover all known proteins an automatically generated supplement is provided called Pfam-B. Pfam-B is derived from the PRODOM database.

The database iPfam builds on the domain description of Pfam. It investigates if different proteins described together in the protein structure database PDB are close enough to potentially interact.

Pfam MySQL database documentation

Note: This is taken directly from the Pfam website. It is archived here in case they take it offline.

See: Installation documentation here: MySQL.

Database structure

The table structures are in the '.sql' files found in .sql files.

Table data

The table data is in the form: "THE_TABLE_NAME".sql.gz (i.e., pfamA table data is in pfamA.sql.gz) The files can be downloaded from ftp://ftp.sanger.ac.uk/pub/databases/Pfam/database_files/

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Load into MySQL using:

mysql> load data infile 'FULL_PATH_DIR/pfamA.sql' into table pfamA;

Table queries

Query domains by architecture and protein ID/ACC

View proteins by Architecture

QUERY: Give me all the architectures and protein sequences for B12-binding family.

The architecture information is in 3 tables:

architecture
pfamA_architecture
pfamseq_architecture

SELECT architecture, pfamseq_id 
FROM   pfamA,architecture, pfamA_architecture, pfamseq_architecture, pfamseq 
WHERE  pfamA_id = "B12-binding"
  AND  pfamA.auto_pfamA = pfamA_architecture.auto_pfamA 
  AND  pfamA_architecture.auto_architecture = architecture.auto_architecture
  AND  architecture.auto_architecture = pfamseq_architecture.auto_architecture 
  AND  pfamseq_architecture.auto_pfamseq = pfamseq.auto_pfamseq;

View proteins by protein id/accession

QUERY: Give me all the domains for protein "PLCG1_BOVIN"

SEED ALIGNMENT:

SELECT pfamA_acc, pfamA_id, seq_start, seq_end 
FROM   pfamseq, pfamA, pfamA_reg_seed
WHERE  pfamseq_id = "pig1_bovin"
  AND  pfamseq.auto_pfamseq = pfamA_reg_seed.auto_pfamseq 
  AND  pfamA_reg_seed.auto_pfamA = pfamA.auto_pfamA;
+-----------+----------+-----------+---------+
| pfamA_acc | pfamA_id | seq_start | seq_end |
+-----------+----------+-----------+---------+
| PF00168   | C2       |      1090 |    1177 |
| PF00388   | PI-PLC-X |       321 |     465 |
| PF00018   | SH3_1    |       794 |     849 |
+-----------+----------+-----------+---------+
3 rows in set (0.03 sec)

FULL ALIGNMENT: This table is different from pfamA_reg_seed as it has the "in_full" column. You have to set the in_full = "1" if you want ONLY the domains that are in the full alignment and are significant. Otherwise it will include the insignificant matches and return thousands of rows!

SELECT pfamA_acc, pfamA_id, seq_start, seq_end 
FROM   pfamseq, pfamA, pfamA_reg_full 
WHERE  pfamseq_id = "PLCG1_BOVIN"
  AND  pfamseq.auto_pfamseq = pfamA_reg_full.auto_pfamseq 
  AND  pfamA_reg_full.auto_pfamA = pfamA.auto_pfamA
  AND  in_full = "1";
+-----------+----------+-----------+---------+
| pfamA_acc | pfamA_id | seq_start | seq_end |
+-----------+----------+-----------+---------+
| PF00168   | C2       |      1090 |    1177 |
| PF00017   | SH2      |       550 |     639 |
| PF00017   | SH2      |       668 |     741 |
| PF00388   | PI-PLC-X |       321 |     465 |
| PF00018   | SH3_1    |       794 |     849 |
| PF00169   | PH       |        33 |     142 |
| PF00387   | PI-PLC-Y |       952 |    1070 |
+-----------+----------+-----------+---------+
7 rows in set (0.00 sec)

View other regions by protein id/accession

pfam-B regions

SELECT distinct seq_start, seq_end, pfamB.pfamB_acc, pfamB_id
FROM pfamB_reg, pfamB, pfamseq 
WHERE pfamseq_id = 'PLCG1_BOVIN'
  AND pfamB_reg.auto_pfamseq = pfamseq.auto_pfamseq
  AND pfamB_reg.auto_pfamB = pfamB.auto_pfamB;

Other regions - transmembrane, signal-peptide, coiled-coils, and low-complexity

SELECT seq_start, seq_end, type_id, source_id, score
FROM   other_reg, pfamseq
WHERE  pfamseq.pfamseq_id = 'PLCG1_BOVIN'
  AND  other_reg.auto_pfamseq = pfamseq.auto_pfamseq;

Context regions

SELECT seq_start, seq_end, domain_score, pfamA.pfamA_acc, pfamA_id, pfamA.description
FROM   context_pfam_regions, pfamseq, pfamA 
WHERE  pfamseq.pfamseq_id = 'PLCG1_BOVIN'
  AND  context_pfam_regions.auto_pfamseq = pfamseq.auto_pfamseq 
  AND  pfamA.auto_pfamA = context_pfam_regions.auto_pfamA;

Smart regions

SELECT seq_start, seq_end, smart_id;
FROM   smart_regions, pfamseq, smart 
WHERE  pfamseq.pfamseq_id = 'PLCG1_BOVIN'
  AND  smart_regions.auto_pfamseq = pfamseq.auto_pfamseq 
  AND  smart.auto_smart = smart_regions.auto_smart;

Query domain by family ID/ACC

All domains for a family (FULL alignment)

SELECT pfamseq_id, seq_start, seq_end, pfamA_id 
FROM   pfamA, pfamseq, pfamA_reg_full 
WHERE  pfamA_id = "B12D"
  AND  pfamA.auto_pfamA = pfamA_reg_full.auto_pfamA
  AND  pfamA_reg_full.auto_pfamseq = pfamseq.auto_pfamseq
  AND  in_full = "1";
+------------+-----------+---------+----------+
| pfamseq_id | seq_start | seq_end | pfamA_id |
+------------+-----------+---------+----------+
| Q42338     |         2 |      88 | B12D     |
| Q9LJ47     |         1 |      87 | B12D     |
| Q9XHD5     |         3 |      89 | B12D     |
| O22414     |         3 |      89 | B12D     |
| Q940E1     |        29 |     116 | B12D     |
| Q40019     |         2 |      87 | B12D     |
| Q84MX3     |        87 |     173 | B12D     |
+------------+-----------+---------+----------+
7 rows in set (0.02 sec)

All domains for a family (SEED alignment)

SELECT pfamseq_id, seq_start, seq_end, pfamA_id 
FROM   pfamA, pfamseq, pfamA_reg_seed 
WHERE  pfamA_id = "B12D"
  AND  pfamA.auto_pfamA = pfamA_reg_seed.auto_pfamA
  AND  pfamA_reg_seed.auto_pfamseq = pfamseq.auto_pfamseq;
+------------+-----------+---------+----------+
| pfamseq_id | seq_start | seq_end | pfamA_id |
+------------+-----------+---------+----------+
| Q42338     |         2 |      88 | B12D     |
| O22414     |         3 |      89 | B12D     |
| Q9XHD5     |         3 |      89 | B12D     |
| Q940E1     |        29 |     116 | B12D     |
| Q9LJ47     |         1 |      87 | B12D     |
+------------+-----------+---------+----------+
5 rows in set (0.00 sec)

Annotation: Information displayed on family page

Pfam annotation

SELECT * 
FROM   pfamA, pfamA_web 
WHERE  pfamA_id = "CBS"
  AND  pfamA.auto_pfamA = pfamA_web.auto_pfamA;

Interpro annotation

SELECT interpro_id, abstract 
FROM   interpro AS i, pfamA AS p
WHERE  p.auto_pfamA = i.auto_pfamA
  AND  pfamA_id = "CBS";

Gene Ontology (GO) annotation

SELECT go_id, term, category
FROM   gene_ontology AS go, pfamA AS p
WHERE  go.auto_pfamA = p.auto_pfamA
  AND  pfamA_acc = "PF00067";

Literature references

SELECT pfamA_literature_references.comment, order_added, medline,
       title, literature_references.author, journal 
FROM   pfamA, pfamA_literature_references, literature_references
WHERE  pfamA_id = "CBS"
  AND  pfamA.auto_pfamA = pfamA_literature_references.auto_pfamA
  AND  pfamA_literature_references.auto_lit = literature_references.auto_lit;

Database References

SELECT db_id, pfamA_database_links.comment, db_link, other_params 
FROM   pfamA, pfamA_database_links 
WHERE  pfamA_id = "CBS"
  AND  pfamA.auto_pfamA = pfamA_database_links.auto_pfamA;

Structures and domain interactions (iPfam)

Tables containing PDB information

There are two tables containing information primary about PDB structures: pdb and msd_data. The pdb table contains a list of PDB identifiers, the header and the title records from that PDB file.

SELECT pdb_id, header, title FROM pdb WHERE pdb_id="2abl";
+--------+--------------+-----------------------------------------------------------+
| pdb_id | header       | title                                                     |
+--------+--------------+-----------------------------------------------------------+
| 2abl   | Transferase  | Sh3-sh2 domain fragment of human bcr-abl tyrosine kinase  |
+--------+--------------+-----------------------------------------------------------+
1 row in set (0.00 sec)

For the PDB information to be useful to Pfam we need to map between PDB residues and UniProt sequence residues. This is not a trivial task! This mapping information is provided by the MSD database. See here for more details. The msd_data table contains this residue by residue mapping.

The following statement gets the first 10 residue mappings for the structure 2ABL.

SELECT pdb_id, pdb_res, pdb_seq_number, pfamseq_acc, pfamseq_res, pfamseq_seq_number 
FROM   msd_data, pdb, pfamseq 
WHERE  pdb.auto_pdb=msd_data.auto_pdb
  AND  pfamseq.auto_pfamseq=msd_data.auto_pfamseq
  AND  pdb_id="2abl" 
LIMIT  10;
+--------+---------+----------------+-------------+-------------+--------------------+
| pdb_id | pdb_res | pdb_seq_number | pfamseq_acc | pfamseq_res | pfamseq_seq_number |
+--------+---------+----------------+-------------+-------------+--------------------+
| 2abl   | MET     |             75 | P00519      | A           |                 56 |
| 2abl   | GLY     |             76 | P00519      | G           |                 57 |
| 2abl   | PRO     |             77 | P00519      | P           |                 58 |
| 2abl   | SER     |             78 | P00519      | S           |                 59 |
| 2abl   | GLU     |             79 | P00519      | E           |                 60 |
| 2abl   | ASN     |             80 | P00519      | N           |                 61 |
| 2abl   | ASP     |             81 | P00519      | D           |                 62 |
| 2abl   | PRO     |             82 | P00519      | P           |                 63 |
| 2abl   | ASN     |             83 | P00519      | N           |                 64 |
| 2abl   | LEU     |             84 | P00519      | L           |                 65 |
+--------+---------+----------------+-------------+-------------+--------------------+
10 rows in set (0.00 sec)

Using a similar query to the previous one, we generate a mapping for each Pfam domain with a known structure. This information is stored in the pdbmap table.

SELECT pdb_id, chain, pdb_start_res, pdb_end_res 
FROM   pdb, pdbmap, pfamA 
WHERE  pfamA_id = 'CBS'
  AND  pfamA.auto_pfamA = pdbmap.auto_pfam 
  AND  pfam_region = '1'
  AND  pdbmap.auto_pdb = pdb.auto_pdb;

Tables Containing Domain Interaction Information (i.e., iPfam)

iPfam is a database within a database. iPfam contains information about domain-domain interactions.

The main table for iPfam is the interaction table. This is a large denormalised table that contains all of the interaction information to the residue-residue level. The interaction table can be joined onto the following tables: pdb, pfamA, pfamseq, int_atom, int_pfamAs

SELECT distinct interaction.auto_pfamA_A, interaction.pfamA_id_A,
       interaction.auto_pfamA_B, interaction.pfamA_id_B
FROM   interaction, pdb 
WHERE  pdb_id="2abl"
  AND  interaction.auto_pdb=pdb.auto_pdb;

There are three other tables that are part of the iPfam specific tables. The int_atom contains the in atom numbers that are forming the interaction. The int_bond table contains the actual bond that is formed between the interaction.

SELECT pdb_id, interaction.pdb_seq_number_A, pfamseq_seq_number_B,
       int_atom.pdb_atom, int_atom.partner_pdb_atom 
FROM   interaction, pdb, int_atom
WHERE  pdb_id="2abl"
  AND  int_atom.auto_atom_int=interaction.auto_atom_int
  AND  interaction.auto_pdb=pdb.auto_pdb
LIMIT  10;

Finally, the int_pfamAs table gives the listing of the Domain-Domain interactions found in iPfam.

Genomes

Note: ncbi_code 1423 is for species: Bacillus subtilis. This information if found in the ncbi_taxonomy table.

Return all the species and basic Pfam information for a Kingdom:

SELECT ncbi_code, species, num_distinct_regions, num_total_regions, num_proteins,
       sequence_coverage, residue_coverage, total_genome_proteins  
FROM   genome_species 
WHERE  grouping like '%Bacteria%'
ORDER BY species;

Return all the Pfam-A domains for a species (using ncbi codes)

SELECT genome_seqs.auto_pfamA, pfamA_acc, pfamA_id, description, sum(count) 
FROM   genome_seqs, pfamA 
WHERE  genome_seqs.ncbi_code = '1423'
  AND  genome_seqs.auto_pfamA = pfamA.auto_pfamA 
GROUP BY genome_seqs.auto_pfamA;

Return the protein sequences for a species

SELECT pfamseq.pfamseq_id 
FROM   pfamseq, genome_seqs 
WHERE  ncbi_code = '1423'
  AND  genome_seqs.auto_pfamseq = pfamseq.auto_pfamseq;

Return all the protein sequences for a species and a specific Pfam-A domain

SELECT pfamseq.pfamseq_id 
FROM   pfamseq, genome_seqs, pfamA 
WHERE  ncbi_code = '1423'
  AND  genome_seqs.auto_pfamseq = pfamseq.auto_pfamseq 
  AND  genome_seqs.auto_pfamA = pfamA.auto_pfamA
  AND  pfamA_acc = 'PF00106';

References

Finn RD, Mistry J, Schuster-Bockler B, Griffiths-Jones S, Hollich V, Lassmann T, Moxon S, Marshall M, Khanna A, Durbin R, Eddy SR, Sonnhammer EL, Bateman A (2006). "Pfam: clans, web tools and services". Nucleic Acids Res, 34:D247-D251; PMID 16381856.
Finn RD, Marshall M, Bateman A (2005). "iPfam: visualization of protein-protein interactions in PDB at domain and amino acid resolutions". Bioinformatics, 21:410-412; PMID 15353450.
Bateman A, Coin L, Durbin R, Finn RD, Hollich V, Griffiths-Jones S, Khanna A, Marshall M, Moxon S, Sonnhammer EL, Studholme DJ, Yeats C, Eddy SR (2004). "The Pfam protein families database". Nucleic Acids Res, 32(Database issue):D138-D141; PMID 14681378.

External links

Pfam - Protein family database at Sanger Institute, UK
Pfam - Protein family database at Janelia Farm Research Campus, USA
Pfam - Protein family database at Center for Genomics and Bioinformatics, Sweden
iPfam - Interactions of Pfam domains in PDB
Pfam database files (ftp)
Pfam MySQL database documentation

Difference between revisions of "Pfam"

Latest revision as of 08:23, 8 September 2007

Contents

Pfam MySQL database documentation

Database structure

Table data

Table queries

Query domains by architecture and protein ID/ACC

Query domain by family ID/ACC

Annotation: Information displayed on family page

Structures and domain interactions (iPfam)

Genomes

See also

References

External links

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