PDB entry 5u13

View 5u13 on RCSB PDB site
Description: E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one
Class: transferase/transferase inhibitor
Keywords: E. coli, DHPS, complex, pterin site, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2016-11-27, released 2017-12-06
The last revision prior to the SCOPe 2.08 freeze date was dated 2018-02-14, with a file datestamp of 2018-02-09.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: N/A
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dihydropteroate synthase
    Species: Escherichia coli O6:H1 (strain CFT073 / ATCC 700928 / UPEC) [TaxId:199310]
    Gene: folP, c3933
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5u13a_
  • Chain 'B':
    Compound: dihydropteroate synthase
    Species: Escherichia coli O6:H1 (strain CFT073 / ATCC 700928 / UPEC) [TaxId:199310]
    Gene: folP, c3933
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0AC14 (2-283)
      • expression tag (1)
    Domains in SCOPe 2.08: d5u13b1, d5u13b2
  • Heterogens: YH5, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5u13A (A:)
gsmklfaqgtsldlshphvmgilnvtpdsfsdggthnslidavkhanlminagatiidvg
gestrpgaaevsveeelqrvipvveaiaqrfevwisvdtskpeviresakvgahiindir
slsepgaleaaaetglpvclmhmqgnpktmqeapkyddvfaevnryfieqiarceqagia
kekllldpgfgfgknlshnysllarlaefhhfnlpllvgmsrksmigqllnvgpserlsg
slacaviaamqgahiirvhdvketveamrvveatlsakenkrye

    Sequence, based on observed residues (ATOM records): (download) 
    >5u13A (A:)
mklfaqgtsldlshphvmgilnvtnslidavkhanlminagatiidvggestrpgaaevs
veeelqrvipvveaiaqrfevwisvdtskpeviresakvgahiindirslsepgaleaaa
etglpvclmhmqgnpktmqeapkyddvfaevnryfieqiarceqagiakekllldpgfgf
gknlshnysllarlaefhhfnlpllvgmsrksmigqllnvgpserlsgslacaviaamqg
ahiirvhdvketveamrvveatlsakenkrye

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5u13B (B:)
gsmklfaqgtsldlshphvmgilnvtpdsfsdggthnslidavkhanlminagatiidvg
gestrpgaaevsveeelqrvipvveaiaqrfevwisvdtskpeviresakvgahiindir
slsepgaleaaaetglpvclmhmqgnpktmqeapkyddvfaevnryfieqiarceqagia
kekllldpgfgfgknlshnysllarlaefhhfnlpllvgmsrksmigqllnvgpserlsg
slacaviaamqgahiirvhdvketveamrvveatlsakenkrye

    Sequence, based on observed residues (ATOM records): (download) 
    >5u13B (B:)
smklfaqgtsldlshphvmgilnvnslidavkhanlminagatiidvgtrpgaaevsvee
elqrvipvveaiaqrfevwisvdtskpeviresakvgahiindirslsepgaleaaaetg
lpvclmhmqpkyddvfaevnryfieqiarceqagiakekllldpgfgfgknlshnyslla
rlaefhhfnlpllvgmsrksmigqllnvgpserlsgslacaviaamqgahiirvhdvket
veamrvveatlsakenkrye