PDB entry 3q45

View 3q45 on RCSB PDB site
Description: Crystal structure of Dipeptide Epimerase from Cytophaga hutchinsonii complexed with Mg and dipeptide D-Ala-L-Val
Class: Isomerase
Keywords: (beta/alpha)8-barrel, Isomerase
Deposited on 2010-12-22, released 2011-02-16
The last revision prior to the SCOPe 2.06 freeze date was dated 2012-03-28, with a file datestamp of 2012-03-23.
Experiment type: XRAY
Resolution: 3 Å
R-factor: 0.229
AEROSPACI score: 0.23 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Mandelate racemase/muconate lactonizing enzyme family; possible chloromuconate cycloisomerase
    Species: Cytophaga hutchinsonii [TaxId:269798]
    Gene: CHU2140, CHU_2140, tfdD
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3q45a1, d3q45a2
  • Chain 'B':
    Compound: Mandelate racemase/muconate lactonizing enzyme family; possible chloromuconate cycloisomerase
    Species: Cytophaga hutchinsonii [TaxId:269798]
    Gene: CHU2140, CHU_2140, tfdD
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3q45b1, d3q45b2
  • Chain 'C':
    Compound: Mandelate racemase/muconate lactonizing enzyme family; possible chloromuconate cycloisomerase
    Species: Cytophaga hutchinsonii [TaxId:269798]
    Gene: CHU2140, CHU_2140, tfdD
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3q45c1, d3q45c2
  • Chain 'D':
    Compound: Mandelate racemase/muconate lactonizing enzyme family; possible chloromuconate cycloisomerase
    Species: Cytophaga hutchinsonii [TaxId:269798]
    Gene: CHU2140, CHU_2140, tfdD
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3q45d1, d3q45d2
  • Chain 'E':
    Compound: Mandelate racemase/muconate lactonizing enzyme family; possible chloromuconate cycloisomerase
    Species: Cytophaga hutchinsonii [TaxId:269798]
    Gene: CHU2140, CHU_2140, tfdD
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3q45e1, d3q45e2
  • Chain 'F':
    Compound: Mandelate racemase/muconate lactonizing enzyme family; possible chloromuconate cycloisomerase
    Species: Cytophaga hutchinsonii [TaxId:269798]
    Gene: CHU2140, CHU_2140, tfdD
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3q45f1, d3q45f2
  • Chain 'G':
    Compound: Mandelate racemase/muconate lactonizing enzyme family; possible chloromuconate cycloisomerase
    Species: Cytophaga hutchinsonii [TaxId:269798]
    Gene: CHU2140, CHU_2140, tfdD
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3q45g1, d3q45g2
  • Chain 'H':
    Compound: Mandelate racemase/muconate lactonizing enzyme family; possible chloromuconate cycloisomerase
    Species: Cytophaga hutchinsonii [TaxId:269798]
    Gene: CHU2140, CHU_2140, tfdD
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3q45h1, d3q45h2
  • Chain 'I':
    Compound: Mandelate racemase/muconate lactonizing enzyme family; possible chloromuconate cycloisomerase
    Species: Cytophaga hutchinsonii [TaxId:269798]
    Gene: CHU2140, CHU_2140, tfdD
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3q45i1, d3q45i2
  • Heterogens: MG, DAL, VAL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3q45A (A:)
    miitqvelykspvklkepfkislgilthannvivrihtasghigygecspfmtihgesmd
    tafivgqylakgligtscldivsnsllmdaiiygnsciksafnialydlaaqhaglplya
    flggkkdkiiqtdytvsidephkmaadavqikkngfeiikvkvggskeldverirmirea
    agdsitlridanqgwsvetaietltllepyniqhceepvsrnlytalpkirqacripima
    desccnsfdaerliqiqacdsfnlklsksagitnalniirlaeqahmpvqvggflesrlg
    ftaaahvalvskticyydfdtplmfeadpvrggivyqqrgiievpetaglgagyqkdyls
    glekicin
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3q45B (B:)
    miitqvelykspvklkepfkislgilthannvivrihtasghigygecspfmtihgesmd
    tafivgqylakgligtscldivsnsllmdaiiygnsciksafnialydlaaqhaglplya
    flggkkdkiiqtdytvsidephkmaadavqikkngfeiikvkvggskeldverirmirea
    agdsitlridanqgwsvetaietltllepyniqhceepvsrnlytalpkirqacripima
    desccnsfdaerliqiqacdsfnlklsksagitnalniirlaeqahmpvqvggflesrlg
    ftaaahvalvskticyydfdtplmfeadpvrggivyqqrgiievpetaglgagyqkdyls
    glekicin
    

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3q45C (C:)
    miitqvelykspvklkepfkislgilthannvivrihtasghigygecspfmtihgesmd
    tafivgqylakgligtscldivsnsllmdaiiygnsciksafnialydlaaqhaglplya
    flggkkdkiiqtdytvsidephkmaadavqikkngfeiikvkvggskeldverirmirea
    agdsitlridanqgwsvetaietltllepyniqhceepvsrnlytalpkirqacripima
    desccnsfdaerliqiqacdsfnlklsksagitnalniirlaeqahmpvqvggflesrlg
    ftaaahvalvskticyydfdtplmfeadpvrggivyqqrgiievpetaglgagyqkdyls
    glekicin
    

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3q45D (D:)
    miitqvelykspvklkepfkislgilthannvivrihtasghigygecspfmtihgesmd
    tafivgqylakgligtscldivsnsllmdaiiygnsciksafnialydlaaqhaglplya
    flggkkdkiiqtdytvsidephkmaadavqikkngfeiikvkvggskeldverirmirea
    agdsitlridanqgwsvetaietltllepyniqhceepvsrnlytalpkirqacripima
    desccnsfdaerliqiqacdsfnlklsksagitnalniirlaeqahmpvqvggflesrlg
    ftaaahvalvskticyydfdtplmfeadpvrggivyqqrgiievpetaglgagyqkdyls
    glekicin
    

  • Chain 'E':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3q45E (E:)
    miitqvelykspvklkepfkislgilthannvivrihtasghigygecspfmtihgesmd
    tafivgqylakgligtscldivsnsllmdaiiygnsciksafnialydlaaqhaglplya
    flggkkdkiiqtdytvsidephkmaadavqikkngfeiikvkvggskeldverirmirea
    agdsitlridanqgwsvetaietltllepyniqhceepvsrnlytalpkirqacripima
    desccnsfdaerliqiqacdsfnlklsksagitnalniirlaeqahmpvqvggflesrlg
    ftaaahvalvskticyydfdtplmfeadpvrggivyqqrgiievpetaglgagyqkdyls
    glekicin
    

  • Chain 'F':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3q45F (F:)
    miitqvelykspvklkepfkislgilthannvivrihtasghigygecspfmtihgesmd
    tafivgqylakgligtscldivsnsllmdaiiygnsciksafnialydlaaqhaglplya
    flggkkdkiiqtdytvsidephkmaadavqikkngfeiikvkvggskeldverirmirea
    agdsitlridanqgwsvetaietltllepyniqhceepvsrnlytalpkirqacripima
    desccnsfdaerliqiqacdsfnlklsksagitnalniirlaeqahmpvqvggflesrlg
    ftaaahvalvskticyydfdtplmfeadpvrggivyqqrgiievpetaglgagyqkdyls
    glekicin
    

  • Chain 'G':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3q45G (G:)
    miitqvelykspvklkepfkislgilthannvivrihtasghigygecspfmtihgesmd
    tafivgqylakgligtscldivsnsllmdaiiygnsciksafnialydlaaqhaglplya
    flggkkdkiiqtdytvsidephkmaadavqikkngfeiikvkvggskeldverirmirea
    agdsitlridanqgwsvetaietltllepyniqhceepvsrnlytalpkirqacripima
    desccnsfdaerliqiqacdsfnlklsksagitnalniirlaeqahmpvqvggflesrlg
    ftaaahvalvskticyydfdtplmfeadpvrggivyqqrgiievpetaglgagyqkdyls
    glekicin
    

  • Chain 'H':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3q45H (H:)
    miitqvelykspvklkepfkislgilthannvivrihtasghigygecspfmtihgesmd
    tafivgqylakgligtscldivsnsllmdaiiygnsciksafnialydlaaqhaglplya
    flggkkdkiiqtdytvsidephkmaadavqikkngfeiikvkvggskeldverirmirea
    agdsitlridanqgwsvetaietltllepyniqhceepvsrnlytalpkirqacripima
    desccnsfdaerliqiqacdsfnlklsksagitnalniirlaeqahmpvqvggflesrlg
    ftaaahvalvskticyydfdtplmfeadpvrggivyqqrgiievpetaglgagyqkdyls
    glekicin
    

  • Chain 'I':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3q45I (I:)
    miitqvelykspvklkepfkislgilthannvivrihtasghigygecspfmtihgesmd
    tafivgqylakgligtscldivsnsllmdaiiygnsciksafnialydlaaqhaglplya
    flggkkdkiiqtdytvsidephkmaadavqikkngfeiikvkvggskeldverirmirea
    agdsitlridanqgwsvetaietltllepyniqhceepvsrnlytalpkirqacripima
    desccnsfdaerliqiqacdsfnlklsksagitnalniirlaeqahmpvqvggflesrlg
    ftaaahvalvskticyydfdtplmfeadpvrggivyqqrgiievpetaglgagyqkdyls
    glekicin