PDB entry 3v94

View 3v94 on RCSB PDB site
Description: TcrPDEC1 catalytic domain in complex with inhibitor wyq16
Class: hydrolase/hydrolase inhibitor
Keywords: trypanosoma PDE parasite, hydrolase-hydrolase inhibitor complex
Deposited on 2011-12-23, released 2012-02-22
The last revision prior to the SCOPe 2.06 freeze date was dated 2012-02-22, with a file datestamp of 2012-02-17.
Experiment type: XRAY
Resolution: 2.33 Å
R-factor: 0.224
AEROSPACI score: 0.35 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cyclic nucleotide specific phosphodiesterase
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: PDEC, TcrPDEC1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3v94a_
  • Chain 'B':
    Compound: Cyclic nucleotide specific phosphodiesterase
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: PDEC, TcrPDEC1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3v94b_
  • Chain 'C':
    Compound: Cyclic nucleotide specific phosphodiesterase
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: PDEC, TcrPDEC1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3v94c_
  • Chain 'D':
    Compound: Cyclic nucleotide specific phosphodiesterase
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: PDEC, TcrPDEC1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3v94d_
  • Chain 'E':
    Compound: Cyclic nucleotide specific phosphodiesterase
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: PDEC, TcrPDEC1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3v94e_
  • Chain 'F':
    Compound: Cyclic nucleotide specific phosphodiesterase
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: PDEC, TcrPDEC1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3v94f_
  • Chain 'G':
    Compound: Cyclic nucleotide specific phosphodiesterase
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: PDEC, TcrPDEC1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3v94g_
  • Chain 'H':
    Compound: Cyclic nucleotide specific phosphodiesterase
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: PDEC, TcrPDEC1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3v94h_
  • Heterogens: WYQ, ZN, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3v94A (A:)
gvsghrdmistrrlppsivqdtilavvppkscaaigtdvdlrdwgfdtfevasrvpsvlq
svamhvalawdffasqeeaqkwaflvaavennyrpnpyhnaihaadvlqgtfslvsaakp
lmehltpleckaaafaalthdvchpgrtnaflaavqdpvsfkfsgkgtleqlhtatafel
lnvtefdftssmdnasflefknivshlightdmslhsetvakhgaklsaggfdctckedr
lealslllhaadigassrgvaiarkwlvilqefadqaederrrglpvtpgfetpssveks
qipfldffviptfdllhqlfpsieeplhnlrklrelyaakagvtt

    Sequence, based on observed residues (ATOM records): (download) 
    >3v94A (A:)
strrlppsivqdtilavvppkscaaigtdvdlrdwgfdtfevasrvpsvlqsvamhvala
wdffasqeeaqkwaflvaavennyrpnpyhnaihaadvlqgtfslvsaakplmehltple
ckaaafaalthdvchpgrtnaflaavqdpvsfkfsgkgtleqlhtatafellnvtefdft
ssmdnasflefknivshlightdmslhsetvakhgaklsaggfdctckedrlealslllh
aadigassrgvaiarkwlvilqefadqaederrrglpvtpgfetpssveksqipfldffv
iptfdllhqlfpsieeplhnlrklrelyaaka

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3v94B (B:)
gvsghrdmistrrlppsivqdtilavvppkscaaigtdvdlrdwgfdtfevasrvpsvlq
svamhvalawdffasqeeaqkwaflvaavennyrpnpyhnaihaadvlqgtfslvsaakp
lmehltpleckaaafaalthdvchpgrtnaflaavqdpvsfkfsgkgtleqlhtatafel
lnvtefdftssmdnasflefknivshlightdmslhsetvakhgaklsaggfdctckedr
lealslllhaadigassrgvaiarkwlvilqefadqaederrrglpvtpgfetpssveks
qipfldffviptfdllhqlfpsieeplhnlrklrelyaakagvtt

    Sequence, based on observed residues (ATOM records): (download) 
    >3v94B (B:)
mistrrlppsivqdtilavvppkscaaigtdvdlrdwgfdtfevasrvpsvlqsvamhva
lawdffasqeeaqkwaflvaavennyrpnpyhnaihaadvlqgtfslvsaakplmehltp
leckaaafaalthdvchpgrtnaflaavqdpvsfkfsgkgtleqlhtatafellnvtefd
ftssmdnasflefknivshlightdmslhsetvakhgaklsaggfdctckedrlealsll
lhaadigassrgvaiarkwlvilqefadqaederrrglpvtpgfetpssveksqipfldf
fviptfdllhqlfpsieeplhnlrklrelyaaka

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3v94C (C:)
gvsghrdmistrrlppsivqdtilavvppkscaaigtdvdlrdwgfdtfevasrvpsvlq
svamhvalawdffasqeeaqkwaflvaavennyrpnpyhnaihaadvlqgtfslvsaakp
lmehltpleckaaafaalthdvchpgrtnaflaavqdpvsfkfsgkgtleqlhtatafel
lnvtefdftssmdnasflefknivshlightdmslhsetvakhgaklsaggfdctckedr
lealslllhaadigassrgvaiarkwlvilqefadqaederrrglpvtpgfetpssveks
qipfldffviptfdllhqlfpsieeplhnlrklrelyaakagvtt

    Sequence, based on observed residues (ATOM records): (download) 
    >3v94C (C:)
istrrlppsivqdtilavvppkscaaigtdvdlrdwgfdtfevasrvpsvlqsvamhval
awdffasqeeaqkwaflvaavennyrpnpyhnaihaadvlqgtfslvsaakplmehltpl
eckaaafaalthdvchpgrtnaflaavqdpvsfkfsgkgtleqlhtatafellnvtefdf
tssmdnasflefknivshlightdmslhsetvakhgaklsaggfdctckedrlealslll
haadigassrgvaiarkwlvilqefadqaederrrglpvtpgfetpssveksqipfldff
viptfdllhqlfpsieeplhnlrklrelyaaka

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3v94D (D:)
gvsghrdmistrrlppsivqdtilavvppkscaaigtdvdlrdwgfdtfevasrvpsvlq
svamhvalawdffasqeeaqkwaflvaavennyrpnpyhnaihaadvlqgtfslvsaakp
lmehltpleckaaafaalthdvchpgrtnaflaavqdpvsfkfsgkgtleqlhtatafel
lnvtefdftssmdnasflefknivshlightdmslhsetvakhgaklsaggfdctckedr
lealslllhaadigassrgvaiarkwlvilqefadqaederrrglpvtpgfetpssveks
qipfldffviptfdllhqlfpsieeplhnlrklrelyaakagvtt

    Sequence, based on observed residues (ATOM records): (download) 
    >3v94D (D:)
trrlppsivqdtilavvppkscaaigtdvdlrdwgfdtfevasrvpsvlqsvamhvalaw
dffasqeeaqkwaflvaavennyrpnpyhnaihaadvlqgtfslvsaakplmehltplec
kaaafaalthdvchpgrtnaflaavqdpvsfkfsgkgtleqlhtatafellnvtefdfts
smdnasflefknivshlightdmslhsetvakhgaklsaggfdctckedrlealslllha
adigassrgvaiarkwlvilqefadqaederrrglpvtpgfetpssveksqipfldffvi
ptfdllhqlfpsieeplhnlrklrelyaaka

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >3v94E (E:)
gvsghrdmistrrlppsivqdtilavvppkscaaigtdvdlrdwgfdtfevasrvpsvlq
svamhvalawdffasqeeaqkwaflvaavennyrpnpyhnaihaadvlqgtfslvsaakp
lmehltpleckaaafaalthdvchpgrtnaflaavqdpvsfkfsgkgtleqlhtatafel
lnvtefdftssmdnasflefknivshlightdmslhsetvakhgaklsaggfdctckedr
lealslllhaadigassrgvaiarkwlvilqefadqaederrrglpvtpgfetpssveks
qipfldffviptfdllhqlfpsieeplhnlrklrelyaakagvtt

    Sequence, based on observed residues (ATOM records): (download) 
    >3v94E (E:)
trrlppsivqdtilavvppkscaaigtdvdlrdwgfdtfevasrvpsvlqsvamhvalaw
dffasqeeaqkwaflvaavennyrpnpyhnaihaadvlqgtfslvsaakplmehltplec
kaaafaalthdvchpgrtnaflaavqdpvsfkfsgkgtleqlhtatafellnvtefdfts
smdnasflefknivshlightdmslhsetvakhgaklsaggfdctckedrlealslllha
adigassrgvaiarkwlvilqefadqaederrrglpvtpgfetpssveksqipfldffvi
ptfdllhqlfpsieeplhnlrklrelyaaka

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >3v94F (F:)
gvsghrdmistrrlppsivqdtilavvppkscaaigtdvdlrdwgfdtfevasrvpsvlq
svamhvalawdffasqeeaqkwaflvaavennyrpnpyhnaihaadvlqgtfslvsaakp
lmehltpleckaaafaalthdvchpgrtnaflaavqdpvsfkfsgkgtleqlhtatafel
lnvtefdftssmdnasflefknivshlightdmslhsetvakhgaklsaggfdctckedr
lealslllhaadigassrgvaiarkwlvilqefadqaederrrglpvtpgfetpssveks
qipfldffviptfdllhqlfpsieeplhnlrklrelyaakagvtt

    Sequence, based on observed residues (ATOM records): (download) 
    >3v94F (F:)
mistrrlppsivqdtilavvppkscaaigtdvdlrdwgfdtfevasrvpsvlqsvamhva
lawdffasqeeaqkwaflvaavennyrpnpyhnaihaadvlqgtfslvsaakplmehltp
leckaaafaalthdvchpgrtnaflaavqdpvsfkfsgkgtleqlhtatafellnvtefd
ftssmdnasflefknivshlightdmslhsetvakhgaklsaggfdctckedrlealsll
lhaadigassrgvaiarkwlvilqefadqaederrrglpvtpgfetpssveksqipfldf
fviptfdllhqlfpsieeplhnlrklrelyaaka

  • Chain 'G':
    Sequence, based on SEQRES records: (download) 
    >3v94G (G:)
gvsghrdmistrrlppsivqdtilavvppkscaaigtdvdlrdwgfdtfevasrvpsvlq
svamhvalawdffasqeeaqkwaflvaavennyrpnpyhnaihaadvlqgtfslvsaakp
lmehltpleckaaafaalthdvchpgrtnaflaavqdpvsfkfsgkgtleqlhtatafel
lnvtefdftssmdnasflefknivshlightdmslhsetvakhgaklsaggfdctckedr
lealslllhaadigassrgvaiarkwlvilqefadqaederrrglpvtpgfetpssveks
qipfldffviptfdllhqlfpsieeplhnlrklrelyaakagvtt

    Sequence, based on observed residues (ATOM records): (download) 
    >3v94G (G:)
mistrrlppsivqdtilavvppkscaaigtdvdlrdwgfdtfevasrvpsvlqsvamhva
lawdffasqeeaqkwaflvaavennyrpnpyhnaihaadvlqgtfslvsaakplmehltp
leckaaafaalthdvchpgrtnaflaavqdpvsfkfsgkgtleqlhtatafellnvtefd
ftssmdnasflefknivshlightdmslhsetvakhgaklsaggfdctckedrlealsll
lhaadigassrgvaiarkwlvilqefadqaederrrglpvtpgfetpssveksqipfldf
fviptfdllhqlfpsieeplhnlrklrelyaaka

  • Chain 'H':
    Sequence, based on SEQRES records: (download) 
    >3v94H (H:)
gvsghrdmistrrlppsivqdtilavvppkscaaigtdvdlrdwgfdtfevasrvpsvlq
svamhvalawdffasqeeaqkwaflvaavennyrpnpyhnaihaadvlqgtfslvsaakp
lmehltpleckaaafaalthdvchpgrtnaflaavqdpvsfkfsgkgtleqlhtatafel
lnvtefdftssmdnasflefknivshlightdmslhsetvakhgaklsaggfdctckedr
lealslllhaadigassrgvaiarkwlvilqefadqaederrrglpvtpgfetpssveks
qipfldffviptfdllhqlfpsieeplhnlrklrelyaakagvtt

    Sequence, based on observed residues (ATOM records): (download) 
    >3v94H (H:)
trrlppsivqdtilavvppkscaaigtdvdlrdwgfdtfevasrvpsvlqsvamhvalaw
dffasqeeaqkwaflvaavennyrpnpyhnaihaadvlqgtfslvsaakplmehltplec
kaaafaalthdvchpgrtnaflaavqdpvsfkfsgkgtleqlhtatafellnvtefdfts
smdnasflefknivshlightdmslhsetvakhgaklsaggfdctckedrlealslllha
adigassrgvaiarkwlvilqefadqaederrrglpvtpgfetpssveksqipfldffvi
ptfdllhqlfpsieeplhnlrklrelyaak